smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H]1CC[C@H](N(C(=O)c2cc(O)c(O)c(O)c2)C2COC2)CC1 ZINC001148591244 768021375 /nfs/dbraw/zinc/02/13/75/768021375.db2.gz VXHUWEKIXNCQAV-XYPYZODXSA-N 1 0 322.361 0.914 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)NC2)cc1C ZINC001130705935 763441206 /nfs/dbraw/zinc/44/12/06/763441206.db2.gz QAGGVEGPFVALGV-CQSZACIVSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1C ZINC001132362655 764419395 /nfs/dbraw/zinc/41/93/95/764419395.db2.gz JWWNQGQVZQIINZ-UONOGXRCSA-N 1 0 319.405 0.721 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CC(=O)N(C)C)cc1C ZINC001134932939 765735659 /nfs/dbraw/zinc/73/56/59/765735659.db2.gz LCBYXHTUEKQCDR-UHFFFAOYSA-N 1 0 307.394 0.688 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)CS(=O)(=O)N2 ZINC001170994042 766378011 /nfs/dbraw/zinc/37/80/11/766378011.db2.gz KBILPVADKFKGJA-UHFFFAOYSA-N 1 0 313.379 0.270 20 10 DCCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119110002 766543941 /nfs/dbraw/zinc/54/39/41/766543941.db2.gz FAVRPHQOZOMBIO-LLVKDONJSA-N 1 0 305.378 0.691 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1CO ZINC001119303641 766629825 /nfs/dbraw/zinc/62/98/25/766629825.db2.gz FXBRZOGNSDWVPY-IYBDPMFKSA-N 1 0 320.433 0.680 20 10 DCCDRO O=C1COC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)CN1 ZINC001144515735 766964704 /nfs/dbraw/zinc/96/47/04/766964704.db2.gz WUGXBARLGLPYLB-UHFFFAOYSA-N 1 0 308.334 0.284 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CNOC3)cc2)CC1 ZINC001120552981 767074316 /nfs/dbraw/zinc/07/43/16/767074316.db2.gz TYGIFRVJAJRFFA-CQSZACIVSA-N 1 0 319.409 0.141 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)C[C@H](O)C[NH2+]3)C2)cc1 ZINC001122135266 767723203 /nfs/dbraw/zinc/72/32/03/767723203.db2.gz HREQNBINQLPWFX-JDFRZJQESA-N 1 0 319.405 0.503 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231592480 769269773 /nfs/dbraw/zinc/26/97/73/769269773.db2.gz IAXDEAFNDVFUCL-KRWDZBQOSA-N 1 0 317.389 0.623 20 10 DCCDRO CN1CCOc2cc(CN3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235063677 769757935 /nfs/dbraw/zinc/75/79/35/769757935.db2.gz PRBHAPJMESLVOQ-QGZVFWFLSA-N 1 0 302.422 0.653 20 10 DCCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001236909686 770021721 /nfs/dbraw/zinc/02/17/21/770021721.db2.gz VPGUJJXGUIENMH-ZDUSSCGKSA-N 1 0 311.451 0.700 20 10 DCCDRO COc1c(O)c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC001182990400 771586270 /nfs/dbraw/zinc/58/62/70/771586270.db2.gz PWWDCBPLVAVTLX-IINYFYTJSA-N 1 0 312.322 0.627 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)Cn2nccn2)cc1C ZINC001158916778 771834019 /nfs/dbraw/zinc/83/40/19/771834019.db2.gz UBWHCWOLMWQFGT-UHFFFAOYSA-N 1 0 317.393 0.891 20 10 DCCDRO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001185257314 771890308 /nfs/dbraw/zinc/89/03/08/771890308.db2.gz JMZKJJOJIBCPDL-CQSZACIVSA-N 1 0 319.405 0.618 20 10 DCCDRO O=C(N1CCCc2cc(O)c(O)cc2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160924284 772138551 /nfs/dbraw/zinc/13/85/51/772138551.db2.gz HHBQDCPRPVBLTM-SUMWQHHRSA-N 1 0 317.389 0.324 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001166789125 772860491 /nfs/dbraw/zinc/86/04/91/772860491.db2.gz GWFLIYAXHQEZGX-KGLIPLIRSA-N 1 0 319.405 0.721 20 10 DCCDRO C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1cc(F)ccc1O ZINC001278255734 945195899 /nfs/dbraw/zinc/19/58/99/945195899.db2.gz XLXUNSJHTMSTLJ-SECBINFHSA-N 1 0 319.340 0.669 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(O)c1O)C2 ZINC001269607530 940742404 /nfs/dbraw/zinc/74/24/04/940742404.db2.gz DFPUEEFRKGETIS-OLZOCXBDSA-N 1 0 319.405 0.806 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2CN(Cc3cccc(F)c3O)C[C@@H](C1)O2 ZINC001276538070 944201029 /nfs/dbraw/zinc/20/10/29/944201029.db2.gz RWELWSNGDZFWQX-GASCZTMLSA-N 1 0 323.412 0.978 20 10 DCCDRO COc1cccc(C[N@H+]2C[C@@H]3C(C(=O)N(C)C)=NO[C@@H]3C2)c1O ZINC001277451832 944824094 /nfs/dbraw/zinc/82/40/94/944824094.db2.gz JCOWJRHTKMCQCQ-WCQYABFASA-N 1 0 319.361 0.676 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)cc1C ZINC001317237384 944868649 /nfs/dbraw/zinc/86/86/49/944868649.db2.gz YCRVGRVLFZXXEA-AAEUAGOBSA-N 1 0 321.377 0.706 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+]CC[C@H](C)NC(C)=O)cc1 ZINC001320318644 945822094 /nfs/dbraw/zinc/82/20/94/945822094.db2.gz QOXHPOFDWLLGOH-NSHDSACASA-N 1 0 318.381 0.675 20 10 DCCDRO COCCOc1ccc(N2CC[NH+](C[C@H](O)CO)CC2)cc1 ZINC001252062761 945865805 /nfs/dbraw/zinc/86/58/05/945865805.db2.gz OHVIWMZLDFXZDV-HNNXBMFYSA-N 1 0 310.394 0.187 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@@]3(CO)CCOC3)cc2F)CC1 ZINC001321034525 946132775 /nfs/dbraw/zinc/13/27/75/946132775.db2.gz ATEVKJVSGVNHKR-QGZVFWFLSA-N 1 0 323.412 0.819 20 10 DCCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001256314994 946608513 /nfs/dbraw/zinc/60/85/13/946608513.db2.gz BSEAUXKNZXNCER-IAQYHMDHSA-N 1 0 324.377 0.358 20 10 DCCDRO [NH3+]CC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001261875808 947470482 /nfs/dbraw/zinc/47/04/82/947470482.db2.gz RIGFFXZDZASXKF-UHFFFAOYSA-N 1 0 303.362 0.432 20 10 DCCDRO COC(=O)[C@H]1CN(C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179687598 947886586 /nfs/dbraw/zinc/88/65/86/947886586.db2.gz ZTAFDMMRNREIBT-FVOPLDGLSA-N 1 0 320.345 0.427 20 10 DCCDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001329565885 949688166 /nfs/dbraw/zinc/68/81/66/949688166.db2.gz LWBJINYFJUYORN-LBPRGKRZSA-N 1 0 317.389 0.822 20 10 DCCDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c(F)ccc(O)c1O ZINC001330626716 950555458 /nfs/dbraw/zinc/55/54/58/950555458.db2.gz CFPAVXGIFPJMER-SNVBAGLBSA-N 1 0 312.341 0.814 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)OC)cc1C ZINC001331680346 951240287 /nfs/dbraw/zinc/24/02/87/951240287.db2.gz BQESOMSQHKQUOO-TZMCWYRMSA-N 1 0 310.394 0.605 20 10 DCCDRO CN1C[C@]2(CC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)OCC1=O ZINC001274836065 951850906 /nfs/dbraw/zinc/85/09/06/951850906.db2.gz DIRXOPZDESJRQQ-HNNXBMFYSA-N 1 0 308.334 0.237 20 10 DCCDRO C[C@]1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CCC[NH2+]C1 ZINC001333980217 952217347 /nfs/dbraw/zinc/21/73/47/952217347.db2.gz UBTPAKUIMOOHIF-KRWDZBQOSA-N 1 0 317.389 0.740 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001336677738 952751366 /nfs/dbraw/zinc/75/13/66/952751366.db2.gz SYKJWNCNLZRMDO-CYBMUJFWSA-N 1 0 305.378 0.465 20 10 DCCDRO COc1ccc(N2CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C2)cc1 ZINC001336798410 952767179 /nfs/dbraw/zinc/76/71/79/952767179.db2.gz GLCNLHBCEQICTJ-LLVKDONJSA-N 1 0 306.366 0.449 20 10 DCCDRO Nc1ccc(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001337069759 952806206 /nfs/dbraw/zinc/80/62/06/952806206.db2.gz ANZKVVNOSSBTMQ-OAHLLOKOSA-N 1 0 303.410 0.458 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](O)c2cnn(C)c2)cc1 ZINC001341242995 953218891 /nfs/dbraw/zinc/21/88/91/953218891.db2.gz GIRIEBFVUWVOSZ-GJZGRUSLSA-N 1 0 317.393 0.336 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC001341924188 953259011 /nfs/dbraw/zinc/25/90/11/953259011.db2.gz RDUOPZLCHOEZGI-JKSUJKDBSA-N 1 0 303.406 0.869 20 10 DCCDRO Nc1ccc(CC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC001344932428 953562503 /nfs/dbraw/zinc/56/25/03/953562503.db2.gz UKBOVIIQQUXBAA-CQSZACIVSA-N 1 0 317.389 0.613 20 10 DCCDRO C[S@](=O)C1(C(=O)NCCc2ccc(N)cc2)CC[NH2+]CC1 ZINC001349583933 954802544 /nfs/dbraw/zinc/80/25/44/954802544.db2.gz ADBVQAGSIVRIPV-NRFANRHFSA-N 1 0 309.435 0.428 20 10 DCCDRO O=C1C[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CN1 ZINC001349761776 954871988 /nfs/dbraw/zinc/87/19/88/954871988.db2.gz MJAJRGCJYBRSDC-AWEZNQCLSA-N 1 0 303.406 0.873 20 10 DCCDRO COCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001284370564 955042196 /nfs/dbraw/zinc/04/21/96/955042196.db2.gz FUQOXFJFKUMOIV-CQSZACIVSA-N 1 0 310.394 0.559 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001357362046 957254876 /nfs/dbraw/zinc/25/48/76/957254876.db2.gz MUKFKSGRMRROCC-CZUORRHYSA-N 1 0 321.421 0.356 20 10 DCCDRO NC(=O)[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1C(N)=O ZINC001308883846 960187021 /nfs/dbraw/zinc/18/70/21/960187021.db2.gz WGRUKVWZAAYLQX-OKILXGFUSA-N 1 0 313.357 0.564 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CNC(=O)C3)cc2F)CC1 ZINC001560505407 1012451266 /nfs/dbraw/zinc/45/12/66/1012451266.db2.gz VDHLNHOAINTGEE-CQSZACIVSA-N 1 0 320.412 0.803 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367777803 529781136 /nfs/dbraw/zinc/78/11/36/529781136.db2.gz JVILRYYZDQSSGT-ZSHCYNCHSA-N 1 0 303.406 0.539 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092068278 395728915 /nfs/dbraw/zinc/72/89/15/395728915.db2.gz ZOWFKLRQRBYXIY-LLVKDONJSA-N 1 0 300.380 0.524 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000280747297 396218934 /nfs/dbraw/zinc/21/89/34/396218934.db2.gz NASGTUOLEARDJI-QGZVFWFLSA-N 1 0 318.421 0.566 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CC1=O ZINC000269110919 396386612 /nfs/dbraw/zinc/38/66/12/396386612.db2.gz RDNBLCYLZWTYCE-LBPRGKRZSA-N 1 0 321.377 0.124 20 10 DCCDRO NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294823709 396682451 /nfs/dbraw/zinc/68/24/51/396682451.db2.gz GJEWWJKHJZCULV-UHFFFAOYSA-N 1 0 301.749 0.788 20 10 DCCDRO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000516476938 338013290 /nfs/dbraw/zinc/01/32/90/338013290.db2.gz ZWYGCGODCUAVLR-CHWSQXEVSA-N 1 0 305.378 0.855 20 10 DCCDRO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1CO ZINC000190884263 524929828 /nfs/dbraw/zinc/92/98/28/524929828.db2.gz IMDAICDTJHGMFX-HIFRSBDPSA-N 1 0 305.422 0.929 20 10 DCCDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000262662550 529150518 /nfs/dbraw/zinc/15/05/18/529150518.db2.gz ZARORTGNQCLBNO-AWEZNQCLSA-N 1 0 304.438 0.954 20 10 DCCDRO Oc1ccccc1C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000738400464 598275653 /nfs/dbraw/zinc/27/56/53/598275653.db2.gz ISQYGEKCPPMNEV-UHFFFAOYSA-N 1 0 322.332 0.905 20 10 DCCDRO C[N@H+](CCO)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980509778 660951707 /nfs/dbraw/zinc/95/17/07/660951707.db2.gz BJYNWYLKVVUQNA-ZDUSSCGKSA-N 1 0 319.365 0.988 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnnn2C)[NH+](C)C)cc1 ZINC000891249850 658084918 /nfs/dbraw/zinc/08/49/18/658084918.db2.gz UDQJYDRUPBWNPY-AWEZNQCLSA-N 1 0 316.409 0.914 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(=O)N2)[NH+](C)C)cc1 ZINC000891254098 658092105 /nfs/dbraw/zinc/09/21/05/658092105.db2.gz VOICWKQJPRGLRN-CABCVRRESA-N 1 0 318.421 0.750 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000182365314 665794002 /nfs/dbraw/zinc/79/40/02/665794002.db2.gz OLJYFOLISVDQKA-SNVBAGLBSA-N 1 0 319.361 0.649 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000897061133 662387880 /nfs/dbraw/zinc/38/78/80/662387880.db2.gz KFAFHSAKXLLSSY-SNVBAGLBSA-N 1 0 300.380 0.511 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H]2C)cc1C ZINC000986804718 662620992 /nfs/dbraw/zinc/62/09/92/662620992.db2.gz BRKPNHPMRADURI-AAEUAGOBSA-N 1 0 305.378 0.568 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(CO)C2)[NH+](C)C)cc1 ZINC000899101492 663123683 /nfs/dbraw/zinc/12/36/83/663123683.db2.gz ILSPLSNCSRNUTR-MRXNPFEDSA-N 1 0 320.437 0.989 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC000903279176 663451695 /nfs/dbraw/zinc/45/16/95/663451695.db2.gz PKNXKXRYTOTSHS-LRDDRELGSA-N 1 0 310.394 0.745 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1F ZINC000911116178 663990464 /nfs/dbraw/zinc/99/04/64/663990464.db2.gz YMDJQJUSSPHHMW-HAQNSBGRSA-N 1 0 322.384 0.361 20 10 DCCDRO COc1cc(C(=O)NC2CC[NH+](C[C@@H](C)O)CC2)cc(OC)n1 ZINC001003244412 666287286 /nfs/dbraw/zinc/28/72/86/666287286.db2.gz FSXUTPDFUHKCET-LLVKDONJSA-N 1 0 323.393 0.674 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713164 666963820 /nfs/dbraw/zinc/96/38/20/666963820.db2.gz AFTFPPRDPKUQST-XVQPDXDWSA-N 1 0 318.373 0.779 20 10 DCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000861743867 666970641 /nfs/dbraw/zinc/97/06/41/666970641.db2.gz PQMRTTBDEXJIHB-SECBINFHSA-N 1 0 316.452 0.547 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N(C)C)cc1 ZINC000861765911 666975645 /nfs/dbraw/zinc/97/56/45/666975645.db2.gz ASXDYODRTOSRTR-TYNCELHUSA-N 1 0 318.421 0.796 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000863753370 667175520 /nfs/dbraw/zinc/17/55/20/667175520.db2.gz SCFUPJLQHILOCF-UHFFFAOYSA-N 1 0 320.437 0.908 20 10 DCCDRO COc1cccc(O)c1C[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865770096 667345329 /nfs/dbraw/zinc/34/53/29/667345329.db2.gz ODMOTYLMDLXSRJ-OAHLLOKOSA-N 1 0 308.334 0.712 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C[C@]23COCCN2C(=O)COC3)cc1C ZINC000865798811 667348363 /nfs/dbraw/zinc/34/83/63/667348363.db2.gz ZAXUBKPFOIXPEQ-QGZVFWFLSA-N 1 0 320.389 0.726 20 10 DCCDRO C[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000866814204 667401695 /nfs/dbraw/zinc/40/16/95/667401695.db2.gz MXGKGHFBIMPELT-MNOVXSKESA-N 1 0 300.380 0.361 20 10 DCCDRO COC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000884484029 667554563 /nfs/dbraw/zinc/55/45/63/667554563.db2.gz GBWJSGMXAXSQMO-GWCFXTLKSA-N 1 0 308.334 0.748 20 10 DCCDRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000868309828 667555633 /nfs/dbraw/zinc/55/56/33/667555633.db2.gz MYLVTDPLIJDABO-SMDDNHRTSA-N 1 0 302.378 0.760 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886322061 667756480 /nfs/dbraw/zinc/75/64/80/667756480.db2.gz KONQIGSLDSCHRG-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO CN1C(=O)[C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2C1=O ZINC000872714532 667932483 /nfs/dbraw/zinc/93/24/83/667932483.db2.gz LHPXFQPWFPKYGW-AOOOYVTPSA-N 1 0 304.302 0.168 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C1CC(O)C1)cc2=O ZINC000759866272 668243843 /nfs/dbraw/zinc/24/38/43/668243843.db2.gz AVHVBDSTMBSEIL-UHFFFAOYSA-N 1 0 320.349 0.567 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](O)C[C@H]1C)cc2=O ZINC000761105553 668305772 /nfs/dbraw/zinc/30/57/72/668305772.db2.gz OXTRKADUZOTGLZ-KOLCDFICSA-N 1 0 320.349 0.567 20 10 DCCDRO COc1ccc(N2CC[C@H](NS(=O)(=O)C3C[NH2+]C3)C2)cc1 ZINC000923653932 668538712 /nfs/dbraw/zinc/53/87/12/668538712.db2.gz CGAGJGVFQSDWNL-NSHDSACASA-N 1 0 311.407 0.165 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)CN3CC[NH2+]CC3)C2)cc1 ZINC000876960376 668543138 /nfs/dbraw/zinc/54/31/38/668543138.db2.gz XLZUAWZYIBFZHQ-AWEZNQCLSA-N 1 0 318.421 0.295 20 10 DCCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877594720 668632274 /nfs/dbraw/zinc/63/22/74/668632274.db2.gz XYSBTCBANAUZSX-CYBMUJFWSA-N 1 0 306.362 0.954 20 10 DCCDRO COC(=O)CNC(=O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000877706108 668639816 /nfs/dbraw/zinc/63/98/16/668639816.db2.gz HMPQAMGAAPJJBW-SNAWJCMRSA-N 1 0 305.378 0.645 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)c(O)c1 ZINC000770390260 668690489 /nfs/dbraw/zinc/69/04/89/668690489.db2.gz XLLLLPHXRRQECS-ZDUSSCGKSA-N 1 0 314.407 0.914 20 10 DCCDRO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000770378940 668690872 /nfs/dbraw/zinc/69/08/72/668690872.db2.gz HSPSHTYTKOXJGB-AWEZNQCLSA-N 1 0 304.394 0.766 20 10 DCCDRO CCOCCOC[C@@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000791006207 669587045 /nfs/dbraw/zinc/58/70/45/669587045.db2.gz DEIFLVJXWRUCRP-LBPRGKRZSA-N 1 0 313.350 0.625 20 10 DCCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)[N@H+]1CCO ZINC000840134182 670407459 /nfs/dbraw/zinc/40/74/59/670407459.db2.gz JUEQUIHURJQLAT-OZVIIMIRSA-N 1 0 322.405 0.705 20 10 DCCDRO COCC[N@H+](C)C[C@@H](O)CSc1ncc(C(=O)OC)s1 ZINC000848674491 670711795 /nfs/dbraw/zinc/71/17/95/670711795.db2.gz TWHSMAVQMJZFBC-SECBINFHSA-N 1 0 320.436 0.961 20 10 DCCDRO CCc1cccc(C[NH2+]CCNS(=O)(=O)N(C)C)c1O ZINC000848910057 670739728 /nfs/dbraw/zinc/73/97/28/670739728.db2.gz DQAXAWGEZQWUMP-UHFFFAOYSA-N 1 0 301.412 0.440 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000817918097 670952612 /nfs/dbraw/zinc/95/26/12/670952612.db2.gz HGQZEHMEAKHSQJ-IUODEOHRSA-N 1 0 318.421 0.517 20 10 DCCDRO CN(CC[NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851679557 671011197 /nfs/dbraw/zinc/01/11/97/671011197.db2.gz CWFGXXPGYSMEDQ-UHFFFAOYSA-N 1 0 306.410 0.748 20 10 DCCDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818997357 671084692 /nfs/dbraw/zinc/08/46/92/671084692.db2.gz YQYGIEYDIMYQAZ-CQSZACIVSA-N 1 0 318.333 0.877 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000852843871 671172757 /nfs/dbraw/zinc/17/27/57/671172757.db2.gz IVLDBPFHIDZRRC-BBRMVZONSA-N 1 0 319.405 0.769 20 10 DCCDRO CN1CC[NH+](C2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000827445294 671527866 /nfs/dbraw/zinc/52/78/66/671527866.db2.gz KWCRTGOYXWODLA-UHFFFAOYSA-N 1 0 319.405 0.950 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2coc(C(N)=O)c2)cc1 ZINC000832284685 671713611 /nfs/dbraw/zinc/71/36/11/671713611.db2.gz MCRXDIBECFQNBF-CYBMUJFWSA-N 1 0 316.361 0.874 20 10 DCCDRO CCC(=O)N[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292418 671713627 /nfs/dbraw/zinc/71/36/27/671713627.db2.gz GVHAQJYATOIQFI-RISCZKNCSA-N 1 0 306.410 0.783 20 10 DCCDRO COc1cc(Br)cc(CN(CC[NH3+])CCO)c1O ZINC000841059893 671911652 /nfs/dbraw/zinc/91/16/52/671911652.db2.gz YQLMVFQFVNCUDB-UHFFFAOYSA-N 1 0 319.199 0.916 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)N(CC[NH3+])CCO)cc1 ZINC000841717233 671951506 /nfs/dbraw/zinc/95/15/06/671951506.db2.gz IQRDABIQHAWMAP-UHFFFAOYSA-N 1 0 308.426 0.995 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1F ZINC000841761222 671952940 /nfs/dbraw/zinc/95/29/40/671952940.db2.gz OCPKEJAIULFMAH-CYBMUJFWSA-N 1 0 323.416 0.676 20 10 DCCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000841831951 671958430 /nfs/dbraw/zinc/95/84/30/671958430.db2.gz IIVGDDJGVDVSNM-INIZCTEOSA-N 1 0 316.405 0.850 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842201764 671993462 /nfs/dbraw/zinc/99/34/62/671993462.db2.gz BMOOLRHGHOGKEE-YPMHNXCESA-N 1 0 304.394 0.408 20 10 DCCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842201805 671993666 /nfs/dbraw/zinc/99/36/66/671993666.db2.gz CPHYZMWNFTXMSP-RYUDHWBXSA-N 1 0 306.410 0.641 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000842202707 671994103 /nfs/dbraw/zinc/99/41/03/671994103.db2.gz KQQWUTVVCQTEOW-LBPRGKRZSA-N 1 0 318.421 0.880 20 10 DCCDRO [NH3+][C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842214440 671995957 /nfs/dbraw/zinc/99/59/57/671995957.db2.gz SDVKFZFGNBDMQS-AWEZNQCLSA-N 1 0 316.405 0.463 20 10 DCCDRO CC[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842223851 671996327 /nfs/dbraw/zinc/99/63/27/671996327.db2.gz GILPMHPLWVIIRV-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000842249669 672000369 /nfs/dbraw/zinc/00/03/69/672000369.db2.gz QOVZMSTYKBVHBC-ZDUSSCGKSA-N 1 0 320.437 0.812 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000842255735 672000824 /nfs/dbraw/zinc/00/08/24/672000824.db2.gz WRNOTVVOOLKMNZ-CYBMUJFWSA-N 1 0 320.437 0.953 20 10 DCCDRO CO[C@@H](C)CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785410 672037170 /nfs/dbraw/zinc/03/71/70/672037170.db2.gz MSGNHAQZRZDANW-SMDDNHRTSA-N 1 0 315.439 0.707 20 10 DCCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843433846 672094568 /nfs/dbraw/zinc/09/45/68/672094568.db2.gz FGGUVROAOTXPLD-MNOVXSKESA-N 1 0 309.318 0.477 20 10 DCCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3([NH3+])CC3)cc2)C1 ZINC000844175567 672157996 /nfs/dbraw/zinc/15/79/96/672157996.db2.gz JLZFBMHLUJUJON-ZDUSSCGKSA-N 1 0 316.405 0.496 20 10 DCCDRO C[C@H]([NH3+])[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000844220685 672164772 /nfs/dbraw/zinc/16/47/72/672164772.db2.gz JPEYUNZDSPJDPA-XJKSGUPXSA-N 1 0 320.437 0.417 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]CCCNS(C)(=O)=O)c1O ZINC000846136637 672296673 /nfs/dbraw/zinc/29/66/73/672296673.db2.gz MMLQMQQZLPSBFW-JTQLQIEISA-N 1 0 302.396 0.991 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1O ZINC000846141480 672297115 /nfs/dbraw/zinc/29/71/15/672297115.db2.gz JTWAHPFJILWHEK-GFCCVEGCSA-N 1 0 307.394 0.825 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000846678033 672336271 /nfs/dbraw/zinc/33/62/71/672336271.db2.gz VJRGGYLWOCPBGP-MMPTUQATSA-N 1 0 306.362 0.814 20 10 DCCDRO COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846845245 672348415 /nfs/dbraw/zinc/34/84/15/672348415.db2.gz WFOIHCIEGZVHHV-CHWSQXEVSA-N 1 0 312.410 0.991 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](CCO)C2)cc(OC)n1 ZINC001007795327 690751068 /nfs/dbraw/zinc/75/10/68/690751068.db2.gz ZAGBXZZGQQJOQP-LBPRGKRZSA-N 1 0 309.366 0.285 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c(O)cc1O ZINC001273793573 1158909207 /nfs/dbraw/zinc/90/92/07/1158909207.db2.gz QDPZWSYAYFGKLY-MRXNPFEDSA-N 1 0 322.361 0.540 20 10 DCCDRO CCC[C@@H](NC(N)=O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577600968 1164735480 /nfs/dbraw/zinc/73/54/80/1164735480.db2.gz XLUXTTPYHJSUIK-UONOGXRCSA-N 1 0 321.425 0.706 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC4(C[NH2+]C4)C3)C2)cc1 ZINC001579224795 1165243113 /nfs/dbraw/zinc/24/31/13/1165243113.db2.gz YTFUMLXVCPLCCB-ZDUSSCGKSA-N 1 0 316.405 0.889 20 10 DCCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1OC ZINC001664958573 1174471225 /nfs/dbraw/zinc/47/12/25/1174471225.db2.gz LUPYUAOKJIZOEU-LLVKDONJSA-N 1 0 308.338 0.152 20 10 DCCDRO CC[N@H+](CCO)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001714600400 1181433854 /nfs/dbraw/zinc/43/38/54/1181433854.db2.gz HEDNONVSUDJEDN-UHFFFAOYSA-N 1 0 307.354 0.893 20 10 DCCDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH2+]CCO ZINC001753645001 1188629561 /nfs/dbraw/zinc/62/95/61/1188629561.db2.gz QDKJLWVKTBCLGP-SNVBAGLBSA-N 1 0 307.354 0.797 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CN(C)CCO2)cc1C ZINC001125219811 751843623 /nfs/dbraw/zinc/84/36/23/751843623.db2.gz CEPDMANDNGEQRM-INIZCTEOSA-N 1 0 321.421 0.540 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2cnn(C)c2N)cc1C ZINC001126099154 748218569 /nfs/dbraw/zinc/21/85/69/748218569.db2.gz GUULYRRKQMPWDD-UHFFFAOYSA-N 1 0 317.393 0.839 20 10 DCCDRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001120592522 750710587 /nfs/dbraw/zinc/71/05/87/750710587.db2.gz ZXAYYKODTXETPX-UHFFFAOYSA-N 1 0 306.410 0.867 20 10 DCCDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCO)cc(OC)n1 ZINC001134870914 765718445 /nfs/dbraw/zinc/71/84/45/765718445.db2.gz BQMWKLQDWPCRTR-MNOVXSKESA-N 1 0 311.382 0.578 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001117979900 766184466 /nfs/dbraw/zinc/18/44/66/766184466.db2.gz AYWIJOYFSWQUAE-CHWSQXEVSA-N 1 0 305.378 0.737 20 10 DCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC001119766795 766805715 /nfs/dbraw/zinc/80/57/15/766805715.db2.gz FPSILTFHFZRPGJ-RDJZCZTQSA-N 1 0 306.406 0.698 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCC2)[NH+](C)C)cc1 ZINC001119887965 766853041 /nfs/dbraw/zinc/85/30/41/766853041.db2.gz JOXPCKULHICAQZ-HNNXBMFYSA-N 1 0 318.421 0.704 20 10 DCCDRO CCNC(=O)COC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516116 766965715 /nfs/dbraw/zinc/96/57/15/766965715.db2.gz PWYNTGBKPDDINZ-UHFFFAOYSA-N 1 0 324.377 0.921 20 10 DCCDRO CN(CC[NH+]1CCCC1)C(=O)CN1C(=O)CSC1=S ZINC001144843811 767063401 /nfs/dbraw/zinc/06/34/01/767063401.db2.gz HSQDRMCWQOPHON-UHFFFAOYSA-N 1 0 301.437 0.401 20 10 DCCDRO C[NH+](C)CC(C)(C)CNC(=O)CN1C(=O)CSC1=S ZINC001144848108 767064379 /nfs/dbraw/zinc/06/43/79/767064379.db2.gz BXBQAUWNCFTRBL-UHFFFAOYSA-N 1 0 303.453 0.551 20 10 DCCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CSC1=S ZINC001144848864 767065975 /nfs/dbraw/zinc/06/59/75/767065975.db2.gz YMLKQVKMWVVRAB-UWVGGRQHSA-N 1 0 315.464 0.836 20 10 DCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CON)CC2)cc1 ZINC001122009089 767694826 /nfs/dbraw/zinc/69/48/26/767694826.db2.gz BKUFJRZALCEFED-UHFFFAOYSA-N 1 0 322.409 0.214 20 10 DCCDRO COc1cc(CN2CCN3C(=O)COC[C@H]3C2)c(O)cc1O ZINC001231637131 769271401 /nfs/dbraw/zinc/27/14/01/769271401.db2.gz FKGULFKTSOCIPD-LLVKDONJSA-N 1 0 308.334 0.149 20 10 DCCDRO CN(C)C(=O)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047655 769704483 /nfs/dbraw/zinc/70/44/83/769704483.db2.gz JMSZGVMGLNHCND-UHFFFAOYSA-N 1 0 320.353 0.257 20 10 DCCDRO COc1cc(O)c(CN2CCN[C@]3(CC[NH2+]C3)C2)c(OC)c1 ZINC001235064702 769757968 /nfs/dbraw/zinc/75/79/68/769757968.db2.gz SYRQOIIORLIEOU-INIZCTEOSA-N 1 0 307.394 0.547 20 10 DCCDRO COC(=O)Cc1ccc(CN2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236356475 770006943 /nfs/dbraw/zinc/00/69/43/770006943.db2.gz MMXLMJNFVWZFRG-QWHCGFSZSA-N 1 0 322.361 0.040 20 10 DCCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]1O ZINC001237204992 770034394 /nfs/dbraw/zinc/03/43/94/770034394.db2.gz DWEMJAUPRMAINT-BBRMVZONSA-N 1 0 324.446 0.734 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[N@H+]3CCC[C@H](O)C3)cc2)CC1 ZINC001237202895 770034923 /nfs/dbraw/zinc/03/49/23/770034923.db2.gz MBNRKWQYVUBNOK-INIZCTEOSA-N 1 0 324.446 0.878 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 ZINC001181591821 771312917 /nfs/dbraw/zinc/31/29/17/771312917.db2.gz VQQPZIZJFCTZJV-BDJLRTHQSA-N 1 0 319.361 0.869 20 10 DCCDRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160873224 772130418 /nfs/dbraw/zinc/13/04/18/772130418.db2.gz VROXMNMVRVNUHE-GFCCVEGCSA-N 1 0 306.366 0.053 20 10 DCCDRO COc1cccc(C[NH+]2CCN(c3ncncn3)CC2)c1O ZINC001203601984 772915596 /nfs/dbraw/zinc/91/55/96/772915596.db2.gz VFCOYUOOVWDFOA-UHFFFAOYSA-N 1 0 301.350 0.908 20 10 DCCDRO COc1cc(Br)cc(CN2C[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205347515 772988205 /nfs/dbraw/zinc/98/82/05/772988205.db2.gz OUSGWNMDBZNRDO-NXEZZACHSA-N 1 0 317.183 0.667 20 10 DCCDRO COc1cc(O)c(CN2C[C@@H]([NH3+])[C@H](O)C2)c(Br)c1 ZINC001205370653 772989203 /nfs/dbraw/zinc/98/92/03/772989203.db2.gz ZYDLLFFOPXCCSC-ZYHUDNBSSA-N 1 0 317.183 0.667 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220212370 774736169 /nfs/dbraw/zinc/73/61/69/774736169.db2.gz HEEMSIMZRDRFFD-AAEUAGOBSA-N 1 0 321.764 0.933 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC001269607975 940741310 /nfs/dbraw/zinc/74/13/10/940741310.db2.gz OJVRDNLPQDTVBF-BETUJISGSA-N 1 0 319.405 0.948 20 10 DCCDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001269607977 940741599 /nfs/dbraw/zinc/74/15/99/940741599.db2.gz ONSZILUEZBIQNX-KBPBESRZSA-N 1 0 319.405 0.948 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001270069730 940829051 /nfs/dbraw/zinc/82/90/51/940829051.db2.gz PEKUGVDCEFBPMV-PHIMTYICSA-N 1 0 321.377 0.264 20 10 DCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1 ZINC001246212307 945364338 /nfs/dbraw/zinc/36/43/38/945364338.db2.gz NJTYYMPVKAQOQA-QWRGUYRKSA-N 1 0 310.350 0.229 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](O)C(C)C)cc1C ZINC001482725109 941645267 /nfs/dbraw/zinc/64/52/67/941645267.db2.gz RVUCCQUCPHYQQQ-GOEBONIOSA-N 1 0 324.421 0.587 20 10 DCCDRO CN1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3CO)cc2F)CC1 ZINC001320537002 945914632 /nfs/dbraw/zinc/91/46/32/945914632.db2.gz DCBOMCQFQAMUME-LSDHHAIUSA-N 1 0 323.412 0.505 20 10 DCCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](C(N)=O)C3)cc2F)CC1 ZINC001253962732 946211280 /nfs/dbraw/zinc/21/12/80/946211280.db2.gz AAYFYPXCLVFLMZ-AWEZNQCLSA-N 1 0 320.412 0.885 20 10 DCCDRO NC(=O)COC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC001323286658 947015001 /nfs/dbraw/zinc/01/50/01/947015001.db2.gz YKGLXDLSOWLDCE-AWEZNQCLSA-N 1 0 322.361 0.284 20 10 DCCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C(=O)OC ZINC001262379237 947665842 /nfs/dbraw/zinc/66/58/42/947665842.db2.gz VJGTVPXDRLJZSA-TXEJJXNPSA-N 1 0 311.309 0.925 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)CNCC[NH3+])C2)cc1 ZINC001263131975 947813277 /nfs/dbraw/zinc/81/32/77/947813277.db2.gz ILYODMQPISVXCB-CYBMUJFWSA-N 1 0 306.410 0.186 20 10 DCCDRO CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC[NH2+]CC1 ZINC001329505783 949647902 /nfs/dbraw/zinc/64/79/02/949647902.db2.gz ZNCABVVJQLQOPU-UHFFFAOYSA-N 1 0 303.362 0.445 20 10 DCCDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329566479 949686921 /nfs/dbraw/zinc/68/69/21/949686921.db2.gz PMJQYDDURQGFAM-ZDUSSCGKSA-N 1 0 317.389 0.835 20 10 DCCDRO CN(C)C(=O)C[N@@H+]1CCC2(CN(Cc3ccc(O)c(O)c3)C2)C1 ZINC001275820912 952477730 /nfs/dbraw/zinc/47/77/30/952477730.db2.gz AKPUOGJMXARIOF-UHFFFAOYSA-N 1 0 319.405 0.694 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@H]1C[NH3+] ZINC001335261372 952505480 /nfs/dbraw/zinc/50/54/80/952505480.db2.gz HGEVTJJCUBULEZ-STQMWFEESA-N 1 0 319.405 0.794 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001335304487 952517443 /nfs/dbraw/zinc/51/74/43/952517443.db2.gz RPHYQTYKDAWLMA-GUYCJALGSA-N 1 0 317.389 0.690 20 10 DCCDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)C[NH+]1CCN(C)CC1 ZINC001335513121 952548867 /nfs/dbraw/zinc/54/88/67/952548867.db2.gz KRJBYVNYVUBDII-CQSZACIVSA-N 1 0 319.453 0.952 20 10 DCCDRO COCCOC[C@H](O)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001336802132 952767258 /nfs/dbraw/zinc/76/72/58/952767258.db2.gz BHLHKPUAYWZGJI-GOEBONIOSA-N 1 0 324.421 0.887 20 10 DCCDRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)[N@H+](C)C1CC1 ZINC001341758792 953248952 /nfs/dbraw/zinc/24/89/52/953248952.db2.gz QFUJXOWVJXKCOM-GFCCVEGCSA-N 1 0 319.405 0.950 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC001341924085 953259146 /nfs/dbraw/zinc/25/91/46/953259146.db2.gz RDUOPZLCHOEZGI-CVEARBPZSA-N 1 0 303.406 0.869 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C2)cc1 ZINC001341988025 953263003 /nfs/dbraw/zinc/26/30/03/953263003.db2.gz KHZJRAIRQARJSE-SWLSCSKDSA-N 1 0 321.421 0.736 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001343021841 953318658 /nfs/dbraw/zinc/31/86/58/953318658.db2.gz PNUASGSKEQSZJA-ZIAGYGMSSA-N 1 0 304.394 0.395 20 10 DCCDRO C[NH+](C)CCn1nccc1C(=O)NCc1cccc(O)c1O ZINC001347232816 954051022 /nfs/dbraw/zinc/05/10/22/954051022.db2.gz CEYGSQHCUWJUKH-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO C[C@H]1CC[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C[NH2+]1 ZINC001350050422 954976118 /nfs/dbraw/zinc/97/61/18/954976118.db2.gz KWRNFGCWFBFYFI-CMPLNLGQSA-N 1 0 303.362 0.491 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)cc1OC ZINC001308983297 960187662 /nfs/dbraw/zinc/18/76/62/960187662.db2.gz MYTKEDTYPATTBP-DGCLKSJQSA-N 1 0 311.378 0.832 20 10 DCCDRO COc1c(O)c(C[NH2+][C@H]2C(=O)NCC2(C)C)ccc1[N+](=O)[O-] ZINC001474636279 1017027507 /nfs/dbraw/zinc/02/75/07/1017027507.db2.gz JMGLSKUKPYUQNE-LBPRGKRZSA-N 1 0 309.322 0.923 20 10 DCCDRO COc1cc(O)c(C[NH2+]CCNC(=O)c2ccn[nH]2)cc1OC ZINC001560704953 1012456229 /nfs/dbraw/zinc/45/62/29/1012456229.db2.gz ASMOLOLNDSWNHU-UHFFFAOYSA-N 1 0 320.349 0.652 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNS(N)(=O)=O)cc2F)CC1 ZINC000106506628 194221337 /nfs/dbraw/zinc/22/13/37/194221337.db2.gz FMLQHKQJKGZVLZ-UHFFFAOYSA-N 1 0 316.402 0.261 20 10 DCCDRO CC[NH+](CC)CCC[C@H](C)NC=C1C(=O)NC(=S)NC1=O ZINC000060862307 184157329 /nfs/dbraw/zinc/15/73/29/184157329.db2.gz VEOFIMPYFSVWAG-JTQLQIEISA-N 1 0 312.439 0.501 20 10 DCCDRO C[N@@H+]1CCN(CCNC(=O)c2cccc(O)c2O)CC1(C)C ZINC000281686713 396234478 /nfs/dbraw/zinc/23/44/78/396234478.db2.gz FRCVVHMEIJSQFT-UHFFFAOYSA-N 1 0 307.394 0.854 20 10 DCCDRO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637952926 417251125 /nfs/dbraw/zinc/25/11/25/417251125.db2.gz MIRBJMYMGSOWGR-LBPRGKRZSA-N 1 0 321.402 0.531 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000529380654 340753600 /nfs/dbraw/zinc/75/36/00/340753600.db2.gz PJURUECSPJQNGW-QWRGUYRKSA-N 1 0 309.366 0.749 20 10 DCCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000181566446 520043375 /nfs/dbraw/zinc/04/33/75/520043375.db2.gz RMOOFYWARYYZOE-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2C(N)=O)[NH+](C)C)cc1 ZINC000891246102 658075583 /nfs/dbraw/zinc/07/55/83/658075583.db2.gz MGEJQOBZKLUDSN-ZNMIVQPWSA-N 1 0 318.421 0.593 20 10 DCCDRO C[C@H](CC(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247074 658080335 /nfs/dbraw/zinc/08/03/35/658080335.db2.gz HEMPFNIBSLFUBU-DOMZBBRYSA-N 1 0 320.437 0.983 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(O)CCOC2)[NH+](C)C)cc1 ZINC000891250539 658086376 /nfs/dbraw/zinc/08/63/76/658086376.db2.gz WTKZWFRCCGRZGP-NVXWUHKLSA-N 1 0 321.421 0.623 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCO)C2)cc1 ZINC001029013973 661933845 /nfs/dbraw/zinc/93/38/45/661933845.db2.gz MWRJGVXPUQRUHW-NSHDSACASA-N 1 0 319.365 0.893 20 10 DCCDRO COc1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(O)c1OC ZINC000895211595 662148213 /nfs/dbraw/zinc/14/82/13/662148213.db2.gz MJEZDRVHVAELLN-QWHCGFSZSA-N 1 0 308.378 0.660 20 10 DCCDRO COc1cc(C)cc(C[NH2+]C[C@]2(OCCO)CCOC2)c1O ZINC000895251502 662156516 /nfs/dbraw/zinc/15/65/16/662156516.db2.gz WKAOGWVLTDIZEE-MRXNPFEDSA-N 1 0 311.378 0.967 20 10 DCCDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000895327716 662169341 /nfs/dbraw/zinc/16/93/41/662169341.db2.gz PTTMFAHSXMZLMJ-IAGOWNOFSA-N 1 0 306.406 0.841 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1 ZINC000897058361 662387724 /nfs/dbraw/zinc/38/77/24/662387724.db2.gz NUTSLOQCXAIJDY-NSHDSACASA-N 1 0 314.407 0.901 20 10 DCCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2ccnn2C)cc1OC ZINC000897302540 662438812 /nfs/dbraw/zinc/43/88/12/662438812.db2.gz PQMBTSNIJONVDK-CYBMUJFWSA-N 1 0 307.350 0.966 20 10 DCCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000898359208 662951247 /nfs/dbraw/zinc/95/12/47/662951247.db2.gz NBBCSVGIKNHQCT-WCQYABFASA-N 1 0 324.377 0.940 20 10 DCCDRO C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900813382 663284498 /nfs/dbraw/zinc/28/44/98/663284498.db2.gz YOPXFMJITVUFMC-DOFRETIQSA-N 1 0 319.405 0.862 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000910993602 663967099 /nfs/dbraw/zinc/96/70/99/663967099.db2.gz SJPFXTBEPXALQA-TZMCWYRMSA-N 1 0 318.421 0.422 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000910993562 663967147 /nfs/dbraw/zinc/96/71/47/663967147.db2.gz RKEDIAHBUMGPPX-BXUZGUMPSA-N 1 0 304.394 0.093 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000911225229 664011046 /nfs/dbraw/zinc/01/10/46/664011046.db2.gz DCRJXECKZRGINJ-YRGRVCCFSA-N 1 0 318.421 0.783 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)c(=O)n2C)cc1 ZINC000911666019 664096747 /nfs/dbraw/zinc/09/67/47/664096747.db2.gz GQLUYVAJDXZZKE-CYBMUJFWSA-N 1 0 317.393 0.220 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000916739679 665091915 /nfs/dbraw/zinc/09/19/15/665091915.db2.gz GOSPLHZECKSQQU-HOTGVXAUSA-N 1 0 316.449 0.862 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC3OCCO3)cc2)CC1 ZINC000918852527 665186714 /nfs/dbraw/zinc/18/67/14/665186714.db2.gz QGAWCEVNSPHPKY-UHFFFAOYSA-N 1 0 319.405 0.818 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861750674 666972609 /nfs/dbraw/zinc/97/26/09/666972609.db2.gz MNMXFJTWUSARLU-GFCCVEGCSA-N 1 0 306.410 0.483 20 10 DCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861765821 666975799 /nfs/dbraw/zinc/97/57/99/666975799.db2.gz HQFRJYLEVGNBSN-CYBMUJFWSA-N 1 0 318.421 0.709 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000865707469 667340472 /nfs/dbraw/zinc/34/04/72/667340472.db2.gz RVCRZSXUBHJSPZ-UHFFFAOYSA-N 1 0 302.352 0.150 20 10 DCCDRO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000866673401 667386356 /nfs/dbraw/zinc/38/63/56/667386356.db2.gz BOBFDOMJLSIZHO-UKRRQHHQSA-N 1 0 304.438 0.895 20 10 DCCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000884191628 667494311 /nfs/dbraw/zinc/49/43/11/667494311.db2.gz JAQAJLDQYYCETF-HNNXBMFYSA-N 1 0 307.394 0.503 20 10 DCCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@@H]21 ZINC000868309827 667555667 /nfs/dbraw/zinc/55/56/67/667555667.db2.gz MYLVTDPLIJDABO-RISCZKNCSA-N 1 0 302.378 0.760 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000884633701 667580135 /nfs/dbraw/zinc/58/01/35/667580135.db2.gz WELZIONMQPUJEA-SGMGOOAPSA-N 1 0 318.421 0.878 20 10 DCCDRO COCC1(O)CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839142432 667734227 /nfs/dbraw/zinc/73/42/27/667734227.db2.gz GGBKSMCYWRMNPP-UHFFFAOYSA-N 1 0 305.422 0.632 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC000839164849 667734441 /nfs/dbraw/zinc/73/44/41/667734441.db2.gz AJURUEUJIOQISV-SKDRFNHKSA-N 1 0 302.168 0.940 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000872714071 667932356 /nfs/dbraw/zinc/93/23/56/667932356.db2.gz HTOOUJHDPYSCJC-TXEJJXNPSA-N 1 0 304.346 0.756 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCNC2=O)cc1Cn1cccn1 ZINC000873133839 667974982 /nfs/dbraw/zinc/97/49/82/667974982.db2.gz HKOPKOVISCURAZ-AWEZNQCLSA-N 1 0 300.362 0.918 20 10 DCCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000750543450 667981572 /nfs/dbraw/zinc/98/15/72/667981572.db2.gz ZHXOAHJORHHIHE-AWEZNQCLSA-N 1 0 315.421 0.827 20 10 DCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H](C)O)CC2)cc1 ZINC000758184634 668158774 /nfs/dbraw/zinc/15/87/74/668158774.db2.gz FHDTZFZBQDJFGH-GDBMZVCRSA-N 1 0 323.437 0.149 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](O)C[C@@H]1C)cc2=O ZINC000761105551 668305743 /nfs/dbraw/zinc/30/57/43/668305743.db2.gz OXTRKADUZOTGLZ-GXSJLCMTSA-N 1 0 320.349 0.567 20 10 DCCDRO CC(C)(O)C[NH+]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768447515 668609253 /nfs/dbraw/zinc/60/92/53/668609253.db2.gz RBDNSDFPIRIUMH-HNNXBMFYSA-N 1 0 322.405 0.707 20 10 DCCDRO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000770380184 668690514 /nfs/dbraw/zinc/69/05/14/668690514.db2.gz MIXZKOVUDMMHIM-CYBMUJFWSA-N 1 0 322.384 0.905 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c(O)c1 ZINC000785984098 669284378 /nfs/dbraw/zinc/28/43/78/669284378.db2.gz DPYCDDPGDJOWHK-LBPRGKRZSA-N 1 0 300.380 0.654 20 10 DCCDRO CN(C)c1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)cc1 ZINC000881271063 669315319 /nfs/dbraw/zinc/31/53/19/669315319.db2.gz GBGJHBBPOKSPQR-UHFFFAOYSA-N 1 0 300.410 0.798 20 10 DCCDRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789560625 669501413 /nfs/dbraw/zinc/50/14/13/669501413.db2.gz LCWFZGRWIZWXPG-CQSZACIVSA-N 1 0 318.377 0.243 20 10 DCCDRO COCC[N@H+](C)C[C@H](O)CSc1ncc(C(=O)OC)s1 ZINC000848674492 670712073 /nfs/dbraw/zinc/71/20/73/670712073.db2.gz TWHSMAVQMJZFBC-VIFPVBQESA-N 1 0 320.436 0.961 20 10 DCCDRO C[C@H]1C[NH+]=C(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N1 ZINC000848995338 670747010 /nfs/dbraw/zinc/74/70/10/670747010.db2.gz GZUOSSQCWZYKFF-GXTWGEPZSA-N 1 0 315.421 0.826 20 10 DCCDRO CCOc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c(O)c1 ZINC000850360620 670909933 /nfs/dbraw/zinc/90/99/33/670909933.db2.gz IDBJCIMCCPQOCK-GXTWGEPZSA-N 1 0 315.391 0.693 20 10 DCCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC000850749186 670937993 /nfs/dbraw/zinc/93/79/93/670937993.db2.gz CFEYYRKMVDAAFT-UHFFFAOYSA-N 1 0 307.398 0.753 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000851664493 671008004 /nfs/dbraw/zinc/00/80/04/671008004.db2.gz CBIXZMCEQRWHGT-CHWSQXEVSA-N 1 0 304.394 0.935 20 10 DCCDRO CN(CCC[NH3+])C(=O)C(=O)NCCCSc1nccs1 ZINC000851685200 671013199 /nfs/dbraw/zinc/01/31/99/671013199.db2.gz OCEIEGPYCXCWPQ-UHFFFAOYSA-N 1 0 316.452 0.549 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844002 671172678 /nfs/dbraw/zinc/17/26/78/671172678.db2.gz MMRDFNCMYURQOL-RISCZKNCSA-N 1 0 321.377 0.281 20 10 DCCDRO C[C@@H](NC(=O)C1(O)C[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000852862681 671178289 /nfs/dbraw/zinc/17/82/89/671178289.db2.gz IWNBOJYOHCHARD-GFCCVEGCSA-N 1 0 305.378 0.035 20 10 DCCDRO NC(=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000821064775 671250122 /nfs/dbraw/zinc/25/01/22/671250122.db2.gz HIJYORPUXSJDMI-NSHDSACASA-N 1 0 311.769 0.612 20 10 DCCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469103 671528703 /nfs/dbraw/zinc/52/87/03/671528703.db2.gz MHIDKSTYDOWVDA-OCCSQVGLSA-N 1 0 318.421 0.599 20 10 DCCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC[NH3+])cc2)C1 ZINC000827468983 671528836 /nfs/dbraw/zinc/52/88/36/671528836.db2.gz IKZZKJHIKVASLT-ZDUSSCGKSA-N 1 0 304.394 0.353 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000827914009 671539515 /nfs/dbraw/zinc/53/95/15/671539515.db2.gz VCLDRTUNXIBORC-ZDUSSCGKSA-N 1 0 305.378 0.576 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000829764452 671588519 /nfs/dbraw/zinc/58/85/19/671588519.db2.gz LNEDGBAXWWXERC-UHFFFAOYSA-N 1 0 316.409 0.931 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSCC(N)=O)cc1 ZINC000832292776 671713619 /nfs/dbraw/zinc/71/36/19/671713619.db2.gz MMICDTIJQYJNDF-GFCCVEGCSA-N 1 0 310.423 0.087 20 10 DCCDRO CCC(=O)N[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292416 671713648 /nfs/dbraw/zinc/71/36/48/671713648.db2.gz GVHAQJYATOIQFI-FZMZJTMJSA-N 1 0 306.410 0.783 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000841730512 671952069 /nfs/dbraw/zinc/95/20/69/671952069.db2.gz SPAGJOAFCZSPEM-AWEZNQCLSA-N 1 0 304.394 0.684 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc1F ZINC000842147080 671985394 /nfs/dbraw/zinc/98/53/94/671985394.db2.gz AFFBYIDIBKSQLY-UHFFFAOYSA-N 1 0 310.373 0.361 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000842154347 671986841 /nfs/dbraw/zinc/98/68/41/671986841.db2.gz SQPJRVDKSCNSFI-CQSZACIVSA-N 1 0 318.421 0.545 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202902 671994241 /nfs/dbraw/zinc/99/42/41/671994241.db2.gz MGWJRPJTUZYBDI-CHWSQXEVSA-N 1 0 318.421 0.737 20 10 DCCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842212300 671995676 /nfs/dbraw/zinc/99/56/76/671995676.db2.gz FJHNYHBBPOCLAE-ZDUSSCGKSA-N 1 0 318.421 0.614 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000842256713 672000738 /nfs/dbraw/zinc/00/07/38/672000738.db2.gz GLJSULBUKMQAQO-UHFFFAOYSA-N 1 0 307.394 0.984 20 10 DCCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842254071 672000752 /nfs/dbraw/zinc/00/07/52/672000752.db2.gz RFWKOPNLVNPKHH-LBPRGKRZSA-N 1 0 306.410 0.565 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000842785505 672037482 /nfs/dbraw/zinc/03/74/82/672037482.db2.gz SKTIGCPZUPIROU-AWEZNQCLSA-N 1 0 323.422 0.464 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[NH+]3CC(C)(C(N)=O)C3)cc2)CC1 ZINC000843416356 672093532 /nfs/dbraw/zinc/09/35/32/672093532.db2.gz PYYYWDBBQZIYNS-UHFFFAOYSA-N 1 0 302.422 0.746 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)C[NH3+] ZINC000843484971 672103288 /nfs/dbraw/zinc/10/32/88/672103288.db2.gz FVUSYMFRXYBDHN-UHFFFAOYSA-N 1 0 306.410 0.565 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1O ZINC000846172645 672299122 /nfs/dbraw/zinc/29/91/22/672299122.db2.gz ZTEHTRFHLQWNNT-YGRLFVJLSA-N 1 0 315.391 0.601 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@H](C)C[NH3+])cc1 ZINC000846345546 672308862 /nfs/dbraw/zinc/30/88/62/672308862.db2.gz YLBYTMZFCMNSTF-GFCCVEGCSA-N 1 0 322.409 0.053 20 10 DCCDRO COCCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846845248 672348430 /nfs/dbraw/zinc/34/84/30/672348430.db2.gz WFOIHCIEGZVHHV-STQMWFEESA-N 1 0 312.410 0.991 20 10 DCCDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001625784297 1157349474 /nfs/dbraw/zinc/34/94/74/1157349474.db2.gz QRGAEEKCHLCEKS-UHFFFAOYSA-N 1 0 323.437 0.982 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CNC(C)=O)cc1C ZINC001568978024 1160908217 /nfs/dbraw/zinc/90/82/17/1160908217.db2.gz VNQHBZQBMDTQMY-GFCCVEGCSA-N 1 0 307.394 0.734 20 10 DCCDRO C[NH2+]C[C@H](O)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001578647362 1165077544 /nfs/dbraw/zinc/07/75/44/1165077544.db2.gz OPMCUHIPNNGNQQ-HNNXBMFYSA-N 1 0 320.437 0.791 20 10 DCCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH2+]C[C@@H]1CO ZINC001580813181 1165723450 /nfs/dbraw/zinc/72/34/50/1165723450.db2.gz MVDROMXGHBQUFB-SECBINFHSA-N 1 0 308.359 0.719 20 10 DCCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603664436 1169346357 /nfs/dbraw/zinc/34/63/57/1169346357.db2.gz MOLIFJWIONGIKQ-NSHDSACASA-N 1 0 320.397 0.801 20 10 DCCDRO C[N@@H+]1CCCN(CCCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001627148048 1171499156 /nfs/dbraw/zinc/49/91/56/1171499156.db2.gz XRLBFKPSOKLCQK-UHFFFAOYSA-N 1 0 321.421 0.784 20 10 DCCDRO C[NH+](C)CC1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001634449081 1171675240 /nfs/dbraw/zinc/67/52/40/1171675240.db2.gz HYENMTDRMWCDBH-UHFFFAOYSA-N 1 0 308.378 0.555 20 10 DCCDRO COc1cc(C)c(C[NH2+]C[C@@]2(CO)COCCN2C)c(O)c1 ZINC001658918844 1173927522 /nfs/dbraw/zinc/92/75/22/1173927522.db2.gz YWRWRZUGIVDUCP-MRXNPFEDSA-N 1 0 310.394 0.492 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]([NH2+]CCO)C2CC2)cc1 ZINC001690181860 1177189119 /nfs/dbraw/zinc/18/91/19/1177189119.db2.gz IJINEOMMKRZFED-ZDUSSCGKSA-N 1 0 319.365 0.939 20 10 DCCDRO CN(CC[NH2+]CCCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001714805246 1181557280 /nfs/dbraw/zinc/55/72/80/1181557280.db2.gz OSIXCXJNWIMJOE-UHFFFAOYSA-N 1 0 307.354 0.893 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn[nH]2)cc1C ZINC001753906003 1188676527 /nfs/dbraw/zinc/67/65/27/1188676527.db2.gz NXSWHJZZNZJTES-CYBMUJFWSA-N 1 0 318.377 0.607 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)cc1 ZINC001086562131 761966405 /nfs/dbraw/zinc/96/64/05/761966405.db2.gz BHTYXTXHXORWHP-MJHDQNEOSA-N 1 0 319.365 0.939 20 10 DCCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CO1 ZINC001169338934 760652501 /nfs/dbraw/zinc/65/25/01/760652501.db2.gz IVDHGRNJNKDDAC-NHYWBVRUSA-N 1 0 323.345 0.981 20 10 DCCDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001119036462 766516175 /nfs/dbraw/zinc/51/61/75/766516175.db2.gz KAZWUMMZHJTBGZ-LLVKDONJSA-N 1 0 317.389 0.820 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CSCN3)cc2)CC1 ZINC001119316571 766632780 /nfs/dbraw/zinc/63/27/80/766632780.db2.gz OUNYBTRYXWBPHP-OAHLLOKOSA-N 1 0 320.462 0.717 20 10 DCCDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119421234 766672417 /nfs/dbraw/zinc/67/24/17/766672417.db2.gz RUBZIUBSPLDFRI-FZMZJTMJSA-N 1 0 317.389 0.868 20 10 DCCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001119549554 766724678 /nfs/dbraw/zinc/72/46/78/766724678.db2.gz NBMCMAKDOVLKTI-WFASDCNBSA-N 1 0 307.394 0.362 20 10 DCCDRO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500666 766959588 /nfs/dbraw/zinc/95/95/88/766959588.db2.gz YPCYPLAMNVWKRY-MADCSZMMSA-N 1 0 323.267 0.663 20 10 DCCDRO COCC(=O)NC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509038 766963556 /nfs/dbraw/zinc/96/35/56/766963556.db2.gz INOSZSDSIANBLM-UHFFFAOYSA-N 1 0 310.350 0.530 20 10 DCCDRO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144516366 766965811 /nfs/dbraw/zinc/96/58/11/766965811.db2.gz WMAKRGWTXSUNMP-LLVKDONJSA-N 1 0 305.334 0.767 20 10 DCCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1O ZINC001140747738 768544610 /nfs/dbraw/zinc/54/46/10/768544610.db2.gz KILCXWKNOAIYCU-UHFFFAOYSA-N 1 0 305.334 0.580 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141160024 768570337 /nfs/dbraw/zinc/57/03/37/768570337.db2.gz PIGZXSLGRDWGQN-VXGBXAGGSA-N 1 0 323.345 0.882 20 10 DCCDRO CN1CC[NH+](CCC(=O)NCCc2cc(O)c(O)cc2O)CC1 ZINC001143236692 768700101 /nfs/dbraw/zinc/70/01/01/768700101.db2.gz QKFAMKUNAMNPIW-UHFFFAOYSA-N 1 0 323.393 0.100 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c(O)c1 ZINC001232840548 769337034 /nfs/dbraw/zinc/33/70/34/769337034.db2.gz COPGUDNRRMCSGL-AWEZNQCLSA-N 1 0 305.378 0.501 20 10 DCCDRO CN(Cc1cc(O)c(O)c(O)c1)C1CCS(=O)(=O)CC1 ZINC001233016024 769344373 /nfs/dbraw/zinc/34/43/73/769344373.db2.gz DRVRDNCEWXARBL-UHFFFAOYSA-N 1 0 301.364 0.812 20 10 DCCDRO CC(=O)c1cc(O)c(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234473870 769666288 /nfs/dbraw/zinc/66/62/88/769666288.db2.gz KWXOVIMBOWGOSU-SNVBAGLBSA-O 1 0 312.342 0.663 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC001236340845 769998157 /nfs/dbraw/zinc/99/81/57/769998157.db2.gz GETMDBVJBQYHIQ-JKSUJKDBSA-N 1 0 319.405 0.455 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2OC)C[C@H]1[NH3+] ZINC001236348958 770003255 /nfs/dbraw/zinc/00/32/55/770003255.db2.gz FFTGOVBUNZGMCT-ZIAGYGMSSA-N 1 0 307.394 0.693 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(OC)cc(OC)c2O)C[C@@H]1[NH3+] ZINC001236351457 770004656 /nfs/dbraw/zinc/00/46/56/770004656.db2.gz LQUQQTPMCTVGNR-NEPJUHHUSA-N 1 0 310.350 0.342 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c(OC)c1 ZINC001237670227 770071736 /nfs/dbraw/zinc/07/17/36/770071736.db2.gz QWBJZSPVBSKNOO-ZBFHGGJFSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1cc(C)c(C[NH2+]CCCn2cc(CO)nn2)c(O)c1 ZINC001182125842 771412101 /nfs/dbraw/zinc/41/21/01/771412101.db2.gz FZSTUGYANGJSHE-UHFFFAOYSA-N 1 0 306.366 0.973 20 10 DCCDRO CNC(=O)CC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001157001582 771516339 /nfs/dbraw/zinc/51/63/39/771516339.db2.gz UJBFGUHXNLOPBS-UHFFFAOYSA-N 1 0 307.394 0.736 20 10 DCCDRO NC1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]CC1 ZINC001160925318 772138301 /nfs/dbraw/zinc/13/83/01/772138301.db2.gz WWLLXSKUVJIQNT-UHFFFAOYSA-N 1 0 305.378 0.454 20 10 DCCDRO COc1cc(C[NH+]2CCC3(CNC(=O)N3)CC2)cc(O)c1O ZINC001204348660 772946099 /nfs/dbraw/zinc/94/60/99/772946099.db2.gz HHQITZPZYNFLGJ-UHFFFAOYSA-N 1 0 307.350 0.754 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)CS(N)(=O)=O)c1 ZINC001207151136 773177435 /nfs/dbraw/zinc/17/74/35/773177435.db2.gz NJNOYKBLVDLWID-UHFFFAOYSA-N 1 0 302.396 0.805 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220212357 774735773 /nfs/dbraw/zinc/73/57/73/774735773.db2.gz GOAYRFALOFPWJC-PWSUYJOCSA-N 1 0 321.764 0.790 20 10 DCCDRO [NH3+][C@@H]1CN[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212572 774735894 /nfs/dbraw/zinc/73/58/94/774735894.db2.gz ORFUDBXZAHWESU-CABZTGNLSA-N 1 0 320.780 0.899 20 10 DCCDRO COC(=O)c1n[nH]cc1NC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001220373753 774784923 /nfs/dbraw/zinc/78/49/23/774784923.db2.gz ZYMJDASUTUMQEA-SECBINFHSA-N 1 0 304.306 0.931 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC001269607813 940742257 /nfs/dbraw/zinc/74/22/57/940742257.db2.gz KZLHZMCSAUCBGR-GXTWGEPZSA-N 1 0 319.405 0.806 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)C(N)=O)C2CC2)cc1C ZINC001276647986 944245841 /nfs/dbraw/zinc/24/58/41/944245841.db2.gz DLDOQKCGYOLNAW-ZDUSSCGKSA-N 1 0 305.378 0.473 20 10 DCCDRO COc1cccc(C[NH+]2CC3(C2)CCOC[C@H]3C(N)=O)c1O ZINC001277451533 944823443 /nfs/dbraw/zinc/82/34/43/944823443.db2.gz FNDKGCUMFJOOHR-LBPRGKRZSA-N 1 0 306.362 0.725 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCOC[C@H]3C(N)=O)c1 ZINC001277462898 944827786 /nfs/dbraw/zinc/82/77/86/944827786.db2.gz DKQBAPQBAQZZOP-ZDUSSCGKSA-N 1 0 306.362 0.725 20 10 DCCDRO CS(=O)(=O)N1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001257224468 946709585 /nfs/dbraw/zinc/70/95/85/946709585.db2.gz ILXSCUDVNFBLEI-UHFFFAOYSA-N 1 0 314.407 0.654 20 10 DCCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001262061460 947546481 /nfs/dbraw/zinc/54/64/81/947546481.db2.gz AIFCPUAUXZITOW-DGCLKSJQSA-N 1 0 304.394 0.317 20 10 DCCDRO Nc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC001262603383 947739299 /nfs/dbraw/zinc/73/92/99/947739299.db2.gz GTSVTVKDTAKCOV-OAHLLOKOSA-N 1 0 306.410 0.915 20 10 DCCDRO O=C(NCc1c(O)cccc1F)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001263199945 947818486 /nfs/dbraw/zinc/81/84/86/947818486.db2.gz VSXBJIHLAYFOPN-JTQLQIEISA-N 1 0 319.340 0.977 20 10 DCCDRO CN1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1=O ZINC001327212655 948423359 /nfs/dbraw/zinc/42/33/59/948423359.db2.gz HURSQZYDTYZNFX-CQSZACIVSA-N 1 0 320.412 0.898 20 10 DCCDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001327545747 948545308 /nfs/dbraw/zinc/54/53/08/948545308.db2.gz PSZOZWFQVOOPIO-ZDUSSCGKSA-N 1 0 307.394 0.840 20 10 DCCDRO C[NH2+]C1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001329504561 949647441 /nfs/dbraw/zinc/64/74/41/949647441.db2.gz MRPRDYKCHVTPTG-UHFFFAOYSA-N 1 0 303.362 0.445 20 10 DCCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001332112449 951482211 /nfs/dbraw/zinc/48/22/11/951482211.db2.gz QXWHQYNVRSHMFZ-UHFFFAOYSA-N 1 0 318.421 0.614 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001332130519 951492564 /nfs/dbraw/zinc/49/25/64/951492564.db2.gz KRNPZOOQYBTFRF-CYBMUJFWSA-N 1 0 305.378 0.690 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cnc[nH]3)cc2)CC1 ZINC001332296569 951570243 /nfs/dbraw/zinc/57/02/43/951570243.db2.gz KVILIBPDAARJAQ-UHFFFAOYSA-N 1 0 320.418 0.934 20 10 DCCDRO Nc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001335736728 952591357 /nfs/dbraw/zinc/59/13/57/952591357.db2.gz HADAPBGDZCEOIW-OAHLLOKOSA-N 1 0 306.410 0.915 20 10 DCCDRO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)c1ccc(N2CCOCC2)cc1 ZINC001340062173 953141988 /nfs/dbraw/zinc/14/19/88/953141988.db2.gz MRPLTBYHDWPUNM-IUODEOHRSA-N 1 0 321.421 0.799 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C3(C[NH3+])CC(O)C3)C2)cc1 ZINC001342099072 953269928 /nfs/dbraw/zinc/26/99/28/953269928.db2.gz RJFVBERLOLREOP-MKQDKFQKSA-N 1 0 319.405 0.490 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(N)cc2)CC1=O ZINC001343473197 953348864 /nfs/dbraw/zinc/34/88/64/953348864.db2.gz MCTSKQRLVZFCPT-CYBMUJFWSA-N 1 0 304.394 0.295 20 10 DCCDRO C[NH+](C)CCn1ccc(C(=O)NCc2cccc(O)c2O)n1 ZINC001352669729 955715492 /nfs/dbraw/zinc/71/54/92/955715492.db2.gz KXHLYXMBHCQFFY-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001466683492 1016099558 /nfs/dbraw/zinc/09/95/58/1016099558.db2.gz SJWMNQATSUDGAM-AWEZNQCLSA-N 1 0 305.338 0.645 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC=C[C@@H]1CO)cc2=O ZINC001473747493 1016965641 /nfs/dbraw/zinc/96/56/41/1016965641.db2.gz OVQUQDYWWLLUGP-LLVKDONJSA-N 1 0 318.333 0.344 20 10 DCCDRO OCC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO ZINC001560231665 1012446842 /nfs/dbraw/zinc/44/68/42/1012446842.db2.gz YBVYKLVCWNNAIO-SJORKVTESA-N 1 0 320.433 0.946 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CNC(=O)C3)cc2F)CC1 ZINC001560505406 1012448659 /nfs/dbraw/zinc/44/86/59/1012448659.db2.gz VDHLNHOAINTGEE-AWEZNQCLSA-N 1 0 320.412 0.803 20 10 DCCDRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1O ZINC000378056713 239245787 /nfs/dbraw/zinc/24/57/87/239245787.db2.gz RNRJXNNWHMZXAJ-NEPJUHHUSA-N 1 0 306.362 0.999 20 10 DCCDRO C[NH+](C)[C@H](CNC=C1C(=O)NC(=S)NC1=O)c1ccccc1 ZINC000028976021 395696637 /nfs/dbraw/zinc/69/66/37/395696637.db2.gz IAXREGJOMSFBCW-GFCCVEGCSA-N 1 0 318.402 0.294 20 10 DCCDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccccc1O ZINC000281286333 396233947 /nfs/dbraw/zinc/23/39/47/396233947.db2.gz ORFJXSRVZUDMOO-UHFFFAOYSA-N 1 0 321.421 0.615 20 10 DCCDRO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000264694032 396303614 /nfs/dbraw/zinc/30/36/14/396303614.db2.gz HZEUFJCQDJFUSW-LLVKDONJSA-N 1 0 309.366 0.685 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000290002974 415750567 /nfs/dbraw/zinc/75/05/67/415750567.db2.gz PQRYYMVRTYHRDU-HNNXBMFYSA-N 1 0 307.394 0.455 20 10 DCCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292855299 415852390 /nfs/dbraw/zinc/85/23/90/415852390.db2.gz USKRIGIGJFASHE-GFCCVEGCSA-N 1 0 314.407 0.867 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000237689293 416328770 /nfs/dbraw/zinc/32/87/70/416328770.db2.gz XVJXWUFOLBIPPH-CYBMUJFWSA-N 1 0 307.369 0.888 20 10 DCCDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(O)c1O ZINC000279333648 295153617 /nfs/dbraw/zinc/15/36/17/295153617.db2.gz QKCPVIFOYMWHKV-LLVKDONJSA-N 1 0 307.350 0.167 20 10 DCCDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000262662551 529151790 /nfs/dbraw/zinc/15/17/90/529151790.db2.gz ZARORTGNQCLBNO-CQSZACIVSA-N 1 0 304.438 0.954 20 10 DCCDRO COc1ccc(N2CCN(C(=O)N[C@@H](C)C[NH3+])CC2)c(OC)c1 ZINC000892089071 658175051 /nfs/dbraw/zinc/17/50/51/658175051.db2.gz PQWAKOMWOSRQEL-LBPRGKRZSA-N 1 0 322.409 0.883 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CC(N)=O)C2)cc1C ZINC001026743797 659498029 /nfs/dbraw/zinc/49/80/29/659498029.db2.gz WEPAHGXPWITQOO-AWEZNQCLSA-N 1 0 319.405 0.817 20 10 DCCDRO [NH3+][C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000842091117 661655956 /nfs/dbraw/zinc/65/59/56/661655956.db2.gz ANOGBGFFBZLOKG-VIFPVBQESA-N 1 0 314.436 0.301 20 10 DCCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000895134271 662115242 /nfs/dbraw/zinc/11/52/42/662115242.db2.gz BTTXRSRYLPORIG-LBPRGKRZSA-N 1 0 314.407 0.833 20 10 DCCDRO CCN(CC)c1ccc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC000895314621 662166090 /nfs/dbraw/zinc/16/60/90/662166090.db2.gz NUWHHSFNINDQIW-HUUCEWRRSA-N 1 0 318.421 0.551 20 10 DCCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000320543375 662392019 /nfs/dbraw/zinc/39/20/19/662392019.db2.gz HHLLVJCIFBUJBM-SFHVURJKSA-N 1 0 318.465 0.859 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccnn2C)c(O)c1OC ZINC000897301646 662438503 /nfs/dbraw/zinc/43/85/03/662438503.db2.gz PTNKEJHBNBYHRU-LBPRGKRZSA-N 1 0 307.350 0.966 20 10 DCCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1c(O)cccc1Cl ZINC000903969542 663499995 /nfs/dbraw/zinc/49/99/95/663499995.db2.gz ZMVMADBKLBYWCO-JTQLQIEISA-N 1 0 318.826 0.912 20 10 DCCDRO COc1ccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)c(O)c1 ZINC000907925320 663724278 /nfs/dbraw/zinc/72/42/78/663724278.db2.gz GAQQZYMMFPUCRD-UHFFFAOYSA-N 1 0 307.394 0.510 20 10 DCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861765822 666975763 /nfs/dbraw/zinc/97/57/63/666975763.db2.gz HQFRJYLEVGNBSN-ZDUSSCGKSA-N 1 0 318.421 0.709 20 10 DCCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000861813451 666982493 /nfs/dbraw/zinc/98/24/93/666982493.db2.gz UUWBCQYSAFXBOO-SWLSCSKDSA-N 1 0 318.421 0.578 20 10 DCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000862527722 667046657 /nfs/dbraw/zinc/04/66/57/667046657.db2.gz FEUPBHSKVILJPG-UHFFFAOYSA-N 1 0 310.350 0.560 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C(N)=O)cc1C ZINC001035035689 667222148 /nfs/dbraw/zinc/22/21/48/667222148.db2.gz VKKNUGMKKVNNJL-CYBMUJFWSA-N 1 0 305.378 0.570 20 10 DCCDRO C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1O ZINC000866814205 667401772 /nfs/dbraw/zinc/40/17/72/667401772.db2.gz MXGKGHFBIMPELT-QWRGUYRKSA-N 1 0 300.380 0.361 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884202519 667497176 /nfs/dbraw/zinc/49/71/76/667497176.db2.gz AGZRQBHYHSDPMV-DOMZBBRYSA-N 1 0 307.394 0.674 20 10 DCCDRO O=C1NCCC12CC[NH+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC000872789539 667938895 /nfs/dbraw/zinc/93/88/95/667938895.db2.gz VQMJSMKTMSEDDK-CQSZACIVSA-N 1 0 318.373 0.920 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1O ZINC000758559671 668183964 /nfs/dbraw/zinc/18/39/64/668183964.db2.gz FRLAJOGVFPBHDB-UHFFFAOYSA-N 1 0 321.830 0.968 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1F ZINC000875181296 668273172 /nfs/dbraw/zinc/27/31/72/668273172.db2.gz IUSXBJLNIKAIAC-ZDUSSCGKSA-N 1 0 324.400 0.758 20 10 DCCDRO C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000927033282 668446109 /nfs/dbraw/zinc/44/61/09/668446109.db2.gz OOWJEPBPXDJNFU-SMDDNHRTSA-N 1 0 300.424 0.809 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000876605667 668474410 /nfs/dbraw/zinc/47/44/10/668474410.db2.gz OHPRUYOLHHNRCJ-NRFANRHFSA-N 1 0 310.419 0.851 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)C[NH2+]CCO3)C2)cc1 ZINC000876960076 668543123 /nfs/dbraw/zinc/54/31/23/668543123.db2.gz SWIIRPLIHHUOID-SUMWQHHRSA-N 1 0 319.405 0.769 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)C[NH2+]CCO3)C2)cc1 ZINC000876960074 668543195 /nfs/dbraw/zinc/54/31/95/668543195.db2.gz SWIIRPLIHHUOID-DYVFJYSZSA-N 1 0 319.405 0.769 20 10 DCCDRO C[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227720 668578820 /nfs/dbraw/zinc/57/88/20/668578820.db2.gz NHZMDOSFQKLYQU-LBPRGKRZSA-N 1 0 307.394 0.960 20 10 DCCDRO COC(=O)CNC(=O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000877706444 668639834 /nfs/dbraw/zinc/63/98/34/668639834.db2.gz LMFXGKJQQXHASN-UHFFFAOYSA-N 1 0 300.742 0.733 20 10 DCCDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000805426842 668736505 /nfs/dbraw/zinc/73/65/05/668736505.db2.gz GOLSFEUUOHNSAU-VIFPVBQESA-N 1 0 315.395 0.444 20 10 DCCDRO COc1ccc(O)c(C[N@H+](CCO)CCN2CCOCC2)c1 ZINC000775657624 668866426 /nfs/dbraw/zinc/86/64/26/668866426.db2.gz DAZWLNJOLIMUKQ-UHFFFAOYSA-N 1 0 310.394 0.527 20 10 DCCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000775733768 668867038 /nfs/dbraw/zinc/86/70/38/668867038.db2.gz HXSNEFQOZXCTRF-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(O)c(C[N@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000775735341 668867122 /nfs/dbraw/zinc/86/71/22/668867122.db2.gz NIYMIJAZLIWFML-UHFFFAOYSA-N 1 0 314.407 0.868 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1 ZINC000878981135 668960232 /nfs/dbraw/zinc/96/02/32/668960232.db2.gz GBLHXMLVROCMJA-WBVHZDCISA-N 1 0 321.421 0.186 20 10 DCCDRO C[NH2+][C@@H](C)c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094853 669297201 /nfs/dbraw/zinc/29/72/01/669297201.db2.gz VEDJNRUREKHBPE-LBPRGKRZSA-N 1 0 316.409 0.941 20 10 DCCDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC000847590831 670579395 /nfs/dbraw/zinc/57/93/95/670579395.db2.gz IEHXSDWWYASBON-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848409981 670679325 /nfs/dbraw/zinc/67/93/25/670679325.db2.gz BYBUMIWDPVKMSD-GXTWGEPZSA-N 1 0 318.421 0.612 20 10 DCCDRO CC(C)CN1C(=O)C(=CNNc2cccc[nH+]2)C(=O)NC1=S ZINC000814319292 670684307 /nfs/dbraw/zinc/68/43/07/670684307.db2.gz WVHMTZODOYXWJQ-JXMROGBWSA-N 1 0 319.390 0.781 20 10 DCCDRO C[C@@H]1C[NH+]=C(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)N1 ZINC000848995341 670746847 /nfs/dbraw/zinc/74/68/47/670746847.db2.gz GZUOSSQCWZYKFF-TZMCWYRMSA-N 1 0 315.421 0.826 20 10 DCCDRO COc1ccc(N2CC[C@@H](Nc3nc(N)[nH+]c(N)n3)C2)cc1 ZINC000858620358 671022816 /nfs/dbraw/zinc/02/28/16/671022816.db2.gz CJCKWYREZGVFMF-SECBINFHSA-N 1 0 301.354 0.735 20 10 DCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968553 671080960 /nfs/dbraw/zinc/08/09/60/671080960.db2.gz UNSPBOWWSQUAQJ-HOCLYGCPSA-N 1 0 321.421 0.485 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852872433 671181645 /nfs/dbraw/zinc/18/16/45/671181645.db2.gz MIFXIGVETYKNMP-NSHDSACASA-N 1 0 304.350 0.582 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cccc(C)c3O)C[C@H]21 ZINC000827389175 671526013 /nfs/dbraw/zinc/52/60/13/671526013.db2.gz LJGDDMWXSBAKAF-MJBXVCDLSA-N 1 0 311.403 0.944 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000827567695 671531839 /nfs/dbraw/zinc/53/18/39/671531839.db2.gz VNTZKJAOWSXJKG-MRXNPFEDSA-N 1 0 307.369 0.841 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc1 ZINC000829500528 671578176 /nfs/dbraw/zinc/57/81/76/671578176.db2.gz MRRMCWHVUNXNHR-CVEARBPZSA-N 1 0 318.421 0.281 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000831748467 671683507 /nfs/dbraw/zinc/68/35/07/671683507.db2.gz CYBYQKHSQUDOAC-BBRMVZONSA-N 1 0 319.405 0.626 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000832266815 671712775 /nfs/dbraw/zinc/71/27/75/671712775.db2.gz JEKDPDVIEIBHST-NSHDSACASA-N 1 0 318.337 0.814 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC(=O)N2C)cc1 ZINC000832284052 671713208 /nfs/dbraw/zinc/71/32/08/671713208.db2.gz HCZPNXTVTAJQRB-ZIAGYGMSSA-N 1 0 304.394 0.489 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCN(C)C(=O)C2)cc1 ZINC000832282005 671713290 /nfs/dbraw/zinc/71/32/90/671713290.db2.gz XERLAPYXQJUWOS-ZFWWWQNUSA-N 1 0 318.421 0.737 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000842011169 671973537 /nfs/dbraw/zinc/97/35/37/671973537.db2.gz LZIVFMIAIHJJGI-CMPLNLGQSA-N 1 0 309.366 0.749 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000842154431 671987031 /nfs/dbraw/zinc/98/70/31/671987031.db2.gz TVXKVTOUZWBUQN-GFCCVEGCSA-N 1 0 306.410 0.483 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842201762 671993574 /nfs/dbraw/zinc/99/35/74/671993574.db2.gz BMOOLRHGHOGKEE-DGCLKSJQSA-N 1 0 304.394 0.408 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842212299 671995577 /nfs/dbraw/zinc/99/55/77/671995577.db2.gz FJHNYHBBPOCLAE-CYBMUJFWSA-N 1 0 318.421 0.614 20 10 DCCDRO O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000843065791 672058384 /nfs/dbraw/zinc/05/83/84/672058384.db2.gz PTTSTWVPJHSCIF-CQSZACIVSA-N 1 0 307.369 0.928 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC(F)(F)CN)cc1 ZINC000846664133 672334332 /nfs/dbraw/zinc/33/43/32/672334332.db2.gz VDZMDZRUCWSABQ-LBPRGKRZSA-N 1 0 300.353 0.853 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2=NN(C)C(=O)CC2)cc1 ZINC000846663678 672334433 /nfs/dbraw/zinc/33/44/33/672334433.db2.gz LMOXYXMXSVFFFT-ZDUSSCGKSA-N 1 0 317.393 0.477 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1O ZINC001138337605 1159060313 /nfs/dbraw/zinc/06/03/13/1159060313.db2.gz BQCJGIUYOGVTFM-GDBMZVCRSA-N 1 0 318.417 0.876 20 10 DCCDRO [NH3+][C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001580430470 1165600926 /nfs/dbraw/zinc/60/09/26/1165600926.db2.gz MZQBRMFDRNMUEM-HDJSIYSDSA-N 1 0 304.394 0.812 20 10 DCCDRO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C[NH+]1CCN(C)CC1 ZINC001585137202 1166403556 /nfs/dbraw/zinc/40/35/56/1166403556.db2.gz IBPJWIPHHXFBFY-ZDUSSCGKSA-N 1 0 321.421 0.640 20 10 DCCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603652136 1169342453 /nfs/dbraw/zinc/34/24/53/1169342453.db2.gz XDHGBXFABDLDSB-BDAKNGLRSA-N 1 0 322.344 0.697 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(CO)CCOCC2)cc1 ZINC001615407877 1171374872 /nfs/dbraw/zinc/37/48/72/1171374872.db2.gz BEQJUYKKZJYMMS-UHFFFAOYSA-N 1 0 321.421 0.500 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001645897517 1172174212 /nfs/dbraw/zinc/17/42/12/1172174212.db2.gz PYZPORLEOFPBPC-CQSZACIVSA-N 1 0 320.389 0.698 20 10 DCCDRO COc1cc(C)c(C[NH2+]CCNS(=O)(=O)N(C)C)c(O)c1 ZINC001659152829 1173929708 /nfs/dbraw/zinc/92/97/08/1173929708.db2.gz DISBBHCYHAWIIN-UHFFFAOYSA-N 1 0 317.411 0.195 20 10 DCCDRO C[C@H](O)C[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001663341997 1174289027 /nfs/dbraw/zinc/28/90/27/1174289027.db2.gz FLYBNBPLWDLETK-JTQLQIEISA-N 1 0 307.354 0.891 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2nnn(C)n2)cc1C ZINC001669376359 1174922188 /nfs/dbraw/zinc/92/21/88/1174922188.db2.gz JDBGJZJAZVXYER-LLVKDONJSA-N 1 0 318.381 0.435 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+]CCCN(C)C(C)=O)cc1 ZINC001716523786 1182422731 /nfs/dbraw/zinc/42/27/31/1182422731.db2.gz QDTUYXRNEHPDEA-UHFFFAOYSA-N 1 0 318.381 0.629 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c2)cc1C ZINC001732635287 1185882143 /nfs/dbraw/zinc/88/21/43/1185882143.db2.gz ZJHPHHNFPFBHHW-CQSZACIVSA-N 1 0 318.377 0.607 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]c2)cc1C ZINC001732635286 1185882767 /nfs/dbraw/zinc/88/27/67/1185882767.db2.gz ZJHPHHNFPFBHHW-AWEZNQCLSA-N 1 0 318.377 0.607 20 10 DCCDRO COc1ccc(C[NH2+]C2(CNC(=O)CC(N)=O)CC2)cc1C ZINC001754511918 1188871199 /nfs/dbraw/zinc/87/11/99/1188871199.db2.gz QWZCBNYJZUHNJP-UHFFFAOYSA-N 1 0 305.378 0.617 20 10 DCCDRO C[C@@]1([NH3+])CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001204801842 749388461 /nfs/dbraw/zinc/38/84/61/749388461.db2.gz VMDHVBHVXXJHEC-MRXNPFEDSA-N 1 0 323.462 0.845 20 10 DCCDRO CS(=O)(=O)C1(C(=O)NCc2ccccc2O)CC[NH2+]CC1 ZINC001118269369 766274575 /nfs/dbraw/zinc/27/45/75/766274575.db2.gz DNUOULDXPSITBI-UHFFFAOYSA-N 1 0 312.391 0.175 20 10 DCCDRO CCNC(=O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118683975 766402308 /nfs/dbraw/zinc/40/23/08/766402308.db2.gz QMWKZDXZGAJBNM-UHFFFAOYSA-N 1 0 308.401 0.803 20 10 DCCDRO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001119417344 766669361 /nfs/dbraw/zinc/66/93/61/766669361.db2.gz BDAGDFWQIXZOMD-SGMGOOAPSA-N 1 0 318.421 0.783 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCNS(=O)(=O)N(C)C)c1O ZINC001119449223 766682562 /nfs/dbraw/zinc/68/25/62/766682562.db2.gz QFOBAJROULKLNY-UHFFFAOYSA-N 1 0 317.411 0.195 20 10 DCCDRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119615429 766749406 /nfs/dbraw/zinc/74/94/06/766749406.db2.gz WKYIZWACCXYSMA-HNNXBMFYSA-N 1 0 312.435 0.782 20 10 DCCDRO CC1(C)C[N@H+](Cc2c(O)cc(O)cc2O)CCN1CC(N)=O ZINC001144514749 766964960 /nfs/dbraw/zinc/96/49/60/766964960.db2.gz QVFSHHULLDEABW-UHFFFAOYSA-N 1 0 309.366 0.185 20 10 DCCDRO C[N@@H+]1CCC[C@@H]1CCNC(=O)CN1C(=O)CSC1=S ZINC001144848384 767064386 /nfs/dbraw/zinc/06/43/86/767064386.db2.gz NQNOGZMWGQGIIS-SECBINFHSA-N 1 0 301.437 0.447 20 10 DCCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661545 768538596 /nfs/dbraw/zinc/53/85/96/768538596.db2.gz IXJGEANOWKZLJP-CYBMUJFWSA-N 1 0 307.369 0.970 20 10 DCCDRO CCN(CC)c1ccc(C[NH+]2CCN(CC(N)=O)CC2)c(O)c1 ZINC001140855475 768550283 /nfs/dbraw/zinc/55/02/83/768550283.db2.gz AQUKVSDDLJQMJX-UHFFFAOYSA-N 1 0 320.437 0.841 20 10 DCCDRO COc1cc(O)c(CN2CC(N3CC[NH+](C)CC3)C2)c(OC)c1 ZINC001141030962 768562531 /nfs/dbraw/zinc/56/25/31/768562531.db2.gz SJVZRLPSNFVXQH-UHFFFAOYSA-N 1 0 321.421 0.841 20 10 DCCDRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(O)ccc2O)N1 ZINC001141162330 768570170 /nfs/dbraw/zinc/57/01/70/768570170.db2.gz PNTRROFAAQLSLP-SOSAQKQKSA-N 1 0 317.345 0.803 20 10 DCCDRO COc1cc(CN2CC(N3CCN(C)C(=O)C3)C2)c(O)cc1O ZINC001231638397 769271823 /nfs/dbraw/zinc/27/18/23/769271823.db2.gz ZETICOBGNJDOKK-UHFFFAOYSA-N 1 0 321.377 0.065 20 10 DCCDRO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCc4cccc(O)c4C3)[C@@H](O)[C@@H]2O1 ZINC001236072072 769977375 /nfs/dbraw/zinc/97/73/75/769977375.db2.gz FLGVLZPWOODEGY-FZKCQIBNSA-N 1 0 321.373 0.988 20 10 DCCDRO C[C@@H]1CNC(=O)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943003 770026407 /nfs/dbraw/zinc/02/64/07/770026407.db2.gz OUAGPLQWQJMNRI-CYBMUJFWSA-N 1 0 320.412 0.898 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[N@H+]3CCC[C@@H](O)C3)cc2)CC1 ZINC001237202896 770033145 /nfs/dbraw/zinc/03/31/45/770033145.db2.gz MBNRKWQYVUBNOK-MRXNPFEDSA-N 1 0 324.446 0.878 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237668408 770073111 /nfs/dbraw/zinc/07/31/11/770073111.db2.gz DNELUOLQUFTTLG-ZBFHGGJFSA-N 1 0 311.378 0.975 20 10 DCCDRO O=S(=O)(CC1CC[NH2+]CC1)NCc1ccc(O)cc1O ZINC001238524521 770117884 /nfs/dbraw/zinc/11/78/84/770117884.db2.gz CBKOPXFNJPSHFQ-UHFFFAOYSA-N 1 0 300.380 0.517 20 10 DCCDRO [NH3+][C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)C[C@H]1F ZINC001157559364 771632411 /nfs/dbraw/zinc/63/24/11/771632411.db2.gz CWTPZWZTXDLXKM-BDAKNGLRSA-N 1 0 308.265 0.325 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)C2(C(N)=O)CC2)cc1C ZINC001165605018 772749267 /nfs/dbraw/zinc/74/92/67/772749267.db2.gz WCRPPJFSQMSUEB-UHFFFAOYSA-N 1 0 319.405 0.865 20 10 DCCDRO CN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277879 772944104 /nfs/dbraw/zinc/94/41/04/772944104.db2.gz NQCGHTLJYNCRIQ-CYBMUJFWSA-N 1 0 307.394 0.740 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001206470272 773079503 /nfs/dbraw/zinc/07/95/03/773079503.db2.gz VVXGSISBCMCQIQ-XJKSGUPXSA-N 1 0 309.385 0.414 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2cc(O)c(Br)cc2O)C[C@H]1O ZINC001206480765 773080842 /nfs/dbraw/zinc/08/08/42/773080842.db2.gz JZBDHYUPJKITSV-QPUJVOFHSA-N 1 0 317.183 0.612 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1C[NH2+]CCN1 ZINC001220212593 774735514 /nfs/dbraw/zinc/73/55/14/774735514.db2.gz PJRDSUJCYVUCAM-GFCCVEGCSA-N 1 0 320.780 0.771 20 10 DCCDRO C[NH+]1CC2(CN(C(=O)CCCN3C(=O)CSC3=S)C2)C1 ZINC001270947492 941229897 /nfs/dbraw/zinc/22/98/97/941229897.db2.gz YJSVSRLTTGFNCH-UHFFFAOYSA-N 1 0 313.448 0.401 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCNC2=O)cc1C ZINC001483255361 942211916 /nfs/dbraw/zinc/21/19/16/942211916.db2.gz QBGMBJGUEOSOHS-JSGCOSHPSA-N 1 0 319.405 0.734 20 10 DCCDRO O=C1N(C2COC2)CC[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001272902664 944310920 /nfs/dbraw/zinc/31/09/20/944310920.db2.gz GDWUKPYEYAFVMZ-QGZVFWFLSA-N 1 0 318.373 0.921 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2COC(=O)N2)cc1C ZINC001317237385 944868901 /nfs/dbraw/zinc/86/89/01/944868901.db2.gz YCRVGRVLFZXXEA-DGCLKSJQSA-N 1 0 321.377 0.706 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1 ZINC001249207701 945623438 /nfs/dbraw/zinc/62/34/38/945623438.db2.gz HAAFBBLEMJNAHJ-JSGCOSHPSA-N 1 0 318.373 0.676 20 10 DCCDRO CCN(CC(N)=O)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320676850 945972207 /nfs/dbraw/zinc/97/22/07/945972207.db2.gz KWUAGJHWERETGJ-UHFFFAOYSA-N 1 0 308.401 0.885 20 10 DCCDRO O=S1(=O)CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001256377408 946629293 /nfs/dbraw/zinc/62/92/93/946629293.db2.gz XUFIGVSDCDRTHG-UHFFFAOYSA-N 1 0 301.364 0.513 20 10 DCCDRO C[NH+]1CCC(CO)(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179690554 947889021 /nfs/dbraw/zinc/88/90/21/947889021.db2.gz SJLZQYLRDPUUET-HWKANZROSA-N 1 0 306.362 0.684 20 10 DCCDRO CN1CC[NH+](CC2CN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC001328722499 949049603 /nfs/dbraw/zinc/04/96/03/949049603.db2.gz OSWVTTUFJFPZGQ-UHFFFAOYSA-N 1 0 305.378 0.417 20 10 DCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001331320855 951073669 /nfs/dbraw/zinc/07/36/69/951073669.db2.gz YWMCVNPCDPSOMM-ZDUSSCGKSA-N 1 0 318.421 0.757 20 10 DCCDRO COC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)O ZINC001331565873 951174759 /nfs/dbraw/zinc/17/47/59/951174759.db2.gz PXUVWVQYJUXUFS-CJNGLKHVSA-N 1 0 321.421 0.450 20 10 DCCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@@H]2C1 ZINC001332149887 951500406 /nfs/dbraw/zinc/50/04/06/951500406.db2.gz FMCUVWQGISWARN-ZENOOKHLSA-N 1 0 318.373 0.728 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+]1CCC(CO)CC1 ZINC001335857753 952611961 /nfs/dbraw/zinc/61/19/61/952611961.db2.gz JRXKSAMUEVEUBO-GFCCVEGCSA-N 1 0 322.405 0.849 20 10 DCCDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336137136 952649264 /nfs/dbraw/zinc/64/92/64/952649264.db2.gz YLEYXJOUFKPJSY-YVEFUNNKSA-N 1 0 315.373 0.574 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001340893168 953201679 /nfs/dbraw/zinc/20/16/79/953201679.db2.gz GYMKAQZCHGICHK-SMDDNHRTSA-N 1 0 307.394 0.694 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCNC2=O)cc1 ZINC001343021838 953318792 /nfs/dbraw/zinc/31/87/92/953318792.db2.gz PNUASGSKEQSZJA-KBPBESRZSA-N 1 0 304.394 0.395 20 10 DCCDRO Nc1ccc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC001346739662 953951504 /nfs/dbraw/zinc/95/15/04/953951504.db2.gz SLYXKPFENAMDOD-HNNXBMFYSA-N 1 0 303.410 0.458 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001346737441 953951800 /nfs/dbraw/zinc/95/18/00/953951800.db2.gz ZMOVWSIWAVDPJO-BZPMIXESSA-N 1 0 319.405 0.533 20 10 DCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc(N(C)C)cc1 ZINC001347262182 954058925 /nfs/dbraw/zinc/05/89/25/954058925.db2.gz NTDFDMUXLAQFLB-XJKSGUPXSA-N 1 0 302.422 0.757 20 10 DCCDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001349426737 954746954 /nfs/dbraw/zinc/74/69/54/954746954.db2.gz BTTMIXVNVFGMBI-BJHJDKERSA-N 1 0 317.389 0.691 20 10 DCCDRO Oc1cc2c(cc1CN1CCN(Cc3nc[nH]n3)CC1)OCO2 ZINC001353606699 956123046 /nfs/dbraw/zinc/12/30/46/956123046.db2.gz SRBBMJDAVADZGW-UHFFFAOYSA-N 1 0 317.349 0.557 20 10 DCCDRO COc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c1O ZINC001294937344 957613873 /nfs/dbraw/zinc/61/38/73/957613873.db2.gz NPKKRPVSFNYXHE-CHWSQXEVSA-N 1 0 308.378 0.862 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1 ZINC001473693747 1016959191 /nfs/dbraw/zinc/95/91/91/1016959191.db2.gz QRUMPHIVTAFBJI-ZFWWWQNUSA-N 1 0 317.389 0.474 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)ccc21 ZINC001521465196 1017380594 /nfs/dbraw/zinc/38/05/94/1017380594.db2.gz ZPFMPZGNFQHIOM-PBHICJAKSA-N 1 0 303.406 0.798 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000368335890 529779876 /nfs/dbraw/zinc/77/98/76/529779876.db2.gz JFYZOGXGEVEFHT-FVQHAEBGSA-N 1 0 317.433 0.881 20 10 DCCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000274109134 130206582 /nfs/dbraw/zinc/20/65/82/130206582.db2.gz YWQVYUGRQXDPQW-QGZVFWFLSA-N 1 0 307.438 0.878 20 10 DCCDRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000343504648 415618587 /nfs/dbraw/zinc/61/85/87/415618587.db2.gz GLEGQRQDGLQBRG-LBPRGKRZSA-N 1 0 321.377 0.759 20 10 DCCDRO C[NH2+]CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000281400756 277264231 /nfs/dbraw/zinc/26/42/31/277264231.db2.gz FKRZPQXOXLDRAN-UHFFFAOYSA-N 1 0 306.410 0.153 20 10 DCCDRO NC(=O)C1CCN(c2ccc(CN[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000925777265 660985613 /nfs/dbraw/zinc/98/56/13/660985613.db2.gz LJSCTNZGBKQIJD-HNNXBMFYSA-N 1 0 302.422 0.840 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]2(O)CCOC2)[NH+](C)C)cc1 ZINC000891250540 658085643 /nfs/dbraw/zinc/08/56/43/658085643.db2.gz WTKZWFRCCGRZGP-RDJZCZTQSA-N 1 0 321.421 0.623 20 10 DCCDRO CC(=O)N[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891258549 658097891 /nfs/dbraw/zinc/09/78/91/658097891.db2.gz TYQJHGULOIRGGR-MLGOLLRUSA-N 1 0 320.437 0.996 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)cc1 ZINC001021116717 658774452 /nfs/dbraw/zinc/77/44/52/658774452.db2.gz OBXCEATXGYXKGH-HAQNSBGRSA-N 1 0 305.338 0.692 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C(N)=O)cc1C ZINC001025063636 658981674 /nfs/dbraw/zinc/98/16/74/658981674.db2.gz HWBQVLDEHQLCRA-CQSZACIVSA-N 1 0 319.405 0.960 20 10 DCCDRO COc1ccc(CNC[C@@H](O)C[NH+]2CCCC2)c(O)c1OC ZINC000892670179 659136253 /nfs/dbraw/zinc/13/62/53/659136253.db2.gz POERNTRKYFNPAM-CYBMUJFWSA-N 1 0 310.394 0.956 20 10 DCCDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895327179 662169162 /nfs/dbraw/zinc/16/91/62/662169162.db2.gz AXIFNFBDUFUZJI-RHSMWYFYSA-N 1 0 324.396 0.980 20 10 DCCDRO COc1cccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897058019 662387194 /nfs/dbraw/zinc/38/71/94/662387194.db2.gz LLLVOALGYFARTN-JTQLQIEISA-N 1 0 300.380 0.511 20 10 DCCDRO COc1cccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1O ZINC000785983956 662893655 /nfs/dbraw/zinc/89/36/55/662893655.db2.gz AAJMBCOCXACARS-UHFFFAOYSA-N 1 0 300.380 0.654 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CCS(=O)(=O)N2CCCC2)c1 ZINC000897830622 662927920 /nfs/dbraw/zinc/92/79/20/662927920.db2.gz FRJVKQNDCSANSV-UHFFFAOYSA-N 1 0 314.407 0.916 20 10 DCCDRO CC[N@H+](CCO)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000070943054 665969955 /nfs/dbraw/zinc/96/99/55/665969955.db2.gz QTAZJNLMCQDPCM-UHFFFAOYSA-N 1 0 321.421 0.658 20 10 DCCDRO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153129769 664794117 /nfs/dbraw/zinc/79/41/17/664794117.db2.gz NPJVKGZNYWEWIW-LBPRGKRZSA-N 1 0 320.393 0.538 20 10 DCCDRO CC[C@@H](CO)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000916571903 665072926 /nfs/dbraw/zinc/07/29/26/665072926.db2.gz PIXAFICXNSEGJM-AWEZNQCLSA-N 1 0 321.421 0.704 20 10 DCCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](CCO)C1 ZINC001033697198 666796190 /nfs/dbraw/zinc/79/61/90/666796190.db2.gz BJLUMRUHSVEATK-ZDUSSCGKSA-N 1 0 319.365 0.988 20 10 DCCDRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861736206 666969356 /nfs/dbraw/zinc/96/93/56/666969356.db2.gz VJFGEOQFFGIRHS-GXTWGEPZSA-N 1 0 318.421 0.626 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C(C)(C)CO)cc2=O ZINC000736313467 667142714 /nfs/dbraw/zinc/14/27/14/667142714.db2.gz ZHZZKNKWJVADCW-UHFFFAOYSA-N 1 0 322.365 0.814 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)CCOCC[NH3+])cc1 ZINC000863554881 667157386 /nfs/dbraw/zinc/15/73/86/667157386.db2.gz JXSMXBCJHZHYHN-UHFFFAOYSA-N 1 0 322.453 0.618 20 10 DCCDRO CS(=O)(=O)NCC[NH2+]Cc1c(O)cccc1Br ZINC000706834349 667425635 /nfs/dbraw/zinc/42/56/35/667425635.db2.gz ZEXHHBNGNJVOFH-UHFFFAOYSA-N 1 0 323.212 0.794 20 10 DCCDRO COC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000884484030 667554846 /nfs/dbraw/zinc/55/48/46/667554846.db2.gz GBWJSGMXAXSQMO-GXFFZTMASA-N 1 0 308.334 0.748 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000741262608 667765272 /nfs/dbraw/zinc/76/52/72/667765272.db2.gz VJACVNSRXSSWKS-UHFFFAOYSA-N 1 0 312.435 0.782 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)CCN(C)C2=O)cc1 ZINC000876505724 668457518 /nfs/dbraw/zinc/45/75/18/668457518.db2.gz ATTMRZIIYBUIPN-WMLDXEAASA-N 1 0 318.421 0.737 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H](C)C[NH3+])CC2)c(OC)c1 ZINC000877227903 668579034 /nfs/dbraw/zinc/57/90/34/668579034.db2.gz QBWNMVMMKNQEEH-GFCCVEGCSA-N 1 0 307.394 0.947 20 10 DCCDRO Cc1ccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)c(O)c1 ZINC000877730526 668644028 /nfs/dbraw/zinc/64/40/28/668644028.db2.gz DAUIBILAXRQRFR-MRXNPFEDSA-N 1 0 306.362 0.418 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC000775375475 668861729 /nfs/dbraw/zinc/86/17/29/668861729.db2.gz LSVICNNTTXHIRL-SNVBAGLBSA-N 1 0 307.350 0.010 20 10 DCCDRO CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000879647789 669081488 /nfs/dbraw/zinc/08/14/88/669081488.db2.gz LKVNUSOGXDCLES-GFCCVEGCSA-N 1 0 305.378 0.734 20 10 DCCDRO Cc1cc(Cn2cc(CC[C@H](O)C[NH3+])nn2)ccc1N(C)C ZINC000881377857 669331510 /nfs/dbraw/zinc/33/15/10/669331510.db2.gz WDFKCSVBNJCQSN-HNNXBMFYSA-N 1 0 303.410 0.953 20 10 DCCDRO Cn1nncc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853768 669399485 /nfs/dbraw/zinc/39/94/85/669399485.db2.gz KBJNKFMYMILMCL-UHFFFAOYSA-N 1 0 314.393 0.497 20 10 DCCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC(=O)NC1=O ZINC000799106285 670040159 /nfs/dbraw/zinc/04/01/59/670040159.db2.gz ASBMZCSAMWQTMH-OAHLLOKOSA-N 1 0 317.389 0.760 20 10 DCCDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221570 670536225 /nfs/dbraw/zinc/53/62/25/670536225.db2.gz PKORXHMDNHLZLB-CVEARBPZSA-N 1 0 323.462 0.891 20 10 DCCDRO CCOc1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c1O ZINC000850361213 670909414 /nfs/dbraw/zinc/90/94/14/670909414.db2.gz OVCZLBYQEBRNOH-WCQYABFASA-N 1 0 315.391 0.693 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000817996696 670960552 /nfs/dbraw/zinc/96/05/52/670960552.db2.gz DUIONRREGRMXTR-ZDUSSCGKSA-N 1 0 306.362 0.778 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000851664664 671007559 /nfs/dbraw/zinc/00/75/59/671007559.db2.gz IGNRSTOMDVAFRU-CQSZACIVSA-N 1 0 318.421 0.809 20 10 DCCDRO COc1ccc(N2CCN(CCC[NH2+]CCC(N)=O)CC2)cc1 ZINC000818943562 671079291 /nfs/dbraw/zinc/07/92/91/671079291.db2.gz VNFZYWRKTKDLSD-UHFFFAOYSA-N 1 0 320.437 0.672 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2)cc1 ZINC000852844707 671172554 /nfs/dbraw/zinc/17/25/54/671172554.db2.gz YWIOVLRKDZDPOJ-CJNGLKHVSA-N 1 0 320.437 0.669 20 10 DCCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824677530 671436670 /nfs/dbraw/zinc/43/66/70/671436670.db2.gz FNUBZFOQQRIHEA-SNVBAGLBSA-N 1 0 316.379 0.538 20 10 DCCDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000828358295 671551056 /nfs/dbraw/zinc/55/10/56/671551056.db2.gz JWRJJTOGULEBOO-CQSZACIVSA-N 1 0 318.421 0.515 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCN(C)C(=O)C2)cc1 ZINC000832281999 671713168 /nfs/dbraw/zinc/71/31/68/671713168.db2.gz XERLAPYXQJUWOS-DZGCQCFKSA-N 1 0 318.421 0.737 20 10 DCCDRO Nc1ccc(CCNC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000832653184 671730248 /nfs/dbraw/zinc/73/02/48/671730248.db2.gz UCTMLRJJVGPGRT-UHFFFAOYSA-N 1 0 302.382 0.572 20 10 DCCDRO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000840959501 671907588 /nfs/dbraw/zinc/90/75/88/671907588.db2.gz XAFCRXZQOUNERC-LBPRGKRZSA-N 1 0 308.378 0.937 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000841827125 671958167 /nfs/dbraw/zinc/95/81/67/671958167.db2.gz LTYHCRAKFGVUEG-UHFFFAOYSA-N 1 0 319.453 0.765 20 10 DCCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842035758 671977568 /nfs/dbraw/zinc/97/75/68/671977568.db2.gz IKRRGXNLVKNDCD-OCCSQVGLSA-N 1 0 318.421 0.565 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000842035779 671978328 /nfs/dbraw/zinc/97/83/28/671978328.db2.gz IXBSMRYLIDWMCL-UHFFFAOYSA-N 1 0 304.394 0.366 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)NCC(C)(C)[NH3+])ccc21 ZINC000842150485 671986271 /nfs/dbraw/zinc/98/62/71/671986271.db2.gz SSCMDSWLQPFFGW-UHFFFAOYSA-N 1 0 318.421 0.539 20 10 DCCDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842213020 671995897 /nfs/dbraw/zinc/99/58/97/671995897.db2.gz JJVIKIGJJQZUKL-CYBMUJFWSA-N 1 0 318.421 0.757 20 10 DCCDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc(O)c1O ZINC000844035438 672140381 /nfs/dbraw/zinc/14/03/81/672140381.db2.gz OQKABBLFQWUPPN-SNVBAGLBSA-N 1 0 307.350 0.290 20 10 DCCDRO Cc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(O)c1O ZINC000844037196 672141144 /nfs/dbraw/zinc/14/11/44/672141144.db2.gz SHHPGSOENVPHTN-LLVKDONJSA-N 1 0 321.377 0.598 20 10 DCCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3([NH3+])CC3)cc2)C1 ZINC000844175562 672158036 /nfs/dbraw/zinc/15/80/36/672158036.db2.gz JLZFBMHLUJUJON-CYBMUJFWSA-N 1 0 316.405 0.496 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000846177737 672299550 /nfs/dbraw/zinc/29/95/50/672299550.db2.gz QTHYNULLZINZBV-ZSHCYNCHSA-N 1 0 318.421 0.991 20 10 DCCDRO C[C@H](C[N@H+](C)CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569152916 1160961123 /nfs/dbraw/zinc/96/11/23/1160961123.db2.gz LRJNGWUMYHNKES-SNVBAGLBSA-N 1 0 307.354 0.891 20 10 DCCDRO C[NH2+]C[C@H](O)CN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001578652361 1165081652 /nfs/dbraw/zinc/08/16/52/1165081652.db2.gz IQOMYULKMKGUBZ-HWPRWLFBSA-N 1 0 323.349 0.798 20 10 DCCDRO Nc1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001580449639 1165604854 /nfs/dbraw/zinc/60/48/54/1165604854.db2.gz QOOYXRKCWARQEE-GOEBONIOSA-N 1 0 320.393 0.616 20 10 DCCDRO O=C(NCc1cc(O)ccc1O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001580710856 1165693093 /nfs/dbraw/zinc/69/30/93/1165693093.db2.gz FXLCTWRQGLEVGG-VIFPVBQESA-N 1 0 302.334 0.828 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001627273283 1171500787 /nfs/dbraw/zinc/50/07/87/1171500787.db2.gz BTFALLWFEUXBLY-STQMWFEESA-N 1 0 306.362 0.620 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001627273281 1171501834 /nfs/dbraw/zinc/50/18/34/1171501834.db2.gz BTFALLWFEUXBLY-OLZOCXBDSA-N 1 0 306.362 0.620 20 10 DCCDRO C[NH+]1CCN(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)CC1 ZINC001635493728 1171706655 /nfs/dbraw/zinc/70/66/55/1171706655.db2.gz HPBJFUXZOZETJO-UHFFFAOYSA-N 1 0 305.378 0.099 20 10 DCCDRO O=C(NCc1cc(O)ccc1O)C1C[NH+](C2CCOCC2)C1 ZINC001643882459 1171991047 /nfs/dbraw/zinc/99/10/47/1171991047.db2.gz YDMZBYVJIGJKGJ-UHFFFAOYSA-N 1 0 306.362 0.825 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001647773164 1173055744 /nfs/dbraw/zinc/05/57/44/1173055744.db2.gz ONOWFOQXTMYYDM-FXMSTWTQSA-N 1 0 304.346 0.700 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)cc1C ZINC001676592031 1175464780 /nfs/dbraw/zinc/46/47/80/1175464780.db2.gz HNVSQUBGOGQNLV-GFCCVEGCSA-N 1 0 320.349 0.267 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]([NH2+]CCO)C2CC2)cc1 ZINC001690181859 1177188195 /nfs/dbraw/zinc/18/81/95/1177188195.db2.gz IJINEOMMKRZFED-CYBMUJFWSA-N 1 0 319.365 0.939 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CNC(=O)C(N)=O)C2CC2)cc1C ZINC001731407104 1185321374 /nfs/dbraw/zinc/32/13/74/1185321374.db2.gz VRDJMCXRMVXNCT-CYBMUJFWSA-N 1 0 305.378 0.473 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2nc[nH]n2)cc1C ZINC001731631386 1185420194 /nfs/dbraw/zinc/42/01/94/1185420194.db2.gz WCYSXIBGWZEHBL-GFCCVEGCSA-N 1 0 317.393 0.959 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ccn[nH]2)cc1C ZINC001753906004 1188676458 /nfs/dbraw/zinc/67/64/58/1188676458.db2.gz NXSWHJZZNZJTES-ZDUSSCGKSA-N 1 0 318.377 0.607 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)cc1C ZINC001044727786 752852165 /nfs/dbraw/zinc/85/21/65/752852165.db2.gz IWAOEIQPVDOHHG-TZMCWYRMSA-N 1 0 319.405 0.958 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)cc1C ZINC001044727783 752852637 /nfs/dbraw/zinc/85/26/37/752852637.db2.gz IWAOEIQPVDOHHG-GXTWGEPZSA-N 1 0 319.405 0.958 20 10 DCCDRO NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147890175 767864175 /nfs/dbraw/zinc/86/41/75/767864175.db2.gz ZIDZDYZRPBZTFK-UHFFFAOYSA-N 1 0 316.365 0.240 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CCC(=O)N2)cc1C ZINC001133474060 764980314 /nfs/dbraw/zinc/98/03/14/764980314.db2.gz WYYMCYYFVXSYIA-KRWDZBQOSA-N 1 0 319.405 0.878 20 10 DCCDRO CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1[NH3+] ZINC001119611537 766748328 /nfs/dbraw/zinc/74/83/28/766748328.db2.gz UYNNBHHKXAQEAP-CYBMUJFWSA-N 1 0 303.362 0.430 20 10 DCCDRO Oc1cnc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)nc1 ZINC001144515923 766965512 /nfs/dbraw/zinc/96/55/12/766965512.db2.gz JDDXMQMMNNMIAM-UHFFFAOYSA-N 1 0 318.333 0.621 20 10 DCCDRO CN(C)c1cc[nH+]cc1NC(=O)CN1C(=O)CSC1=S ZINC001144841270 767062200 /nfs/dbraw/zinc/06/22/00/767062200.db2.gz ZYPTZJXMYRMPOQ-UHFFFAOYSA-N 1 0 310.404 0.946 20 10 DCCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H]21 ZINC001144849892 767065416 /nfs/dbraw/zinc/06/54/16/767065416.db2.gz IOXQORIJTFKSKJ-VHSXEESVSA-N 1 0 313.448 0.399 20 10 DCCDRO [NH3+]C[C@H](O)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001121989511 767692209 /nfs/dbraw/zinc/69/22/09/767692209.db2.gz VJACFZVEYPEMOH-CQSZACIVSA-N 1 0 309.435 0.566 20 10 DCCDRO CN1CCN(C)C2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001141160312 768569685 /nfs/dbraw/zinc/56/96/85/768569685.db2.gz VIZYVPHTHNTWMF-UHFFFAOYSA-N 1 0 319.405 0.836 20 10 DCCDRO O=C1COCCN1C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487018 769370403 /nfs/dbraw/zinc/37/04/03/769370403.db2.gz LUOSRBOPYVXRIG-UHFFFAOYSA-N 1 0 322.361 0.627 20 10 DCCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O ZINC001153037301 769701875 /nfs/dbraw/zinc/70/18/75/769701875.db2.gz LELRFXAZRBNCFD-LLVKDONJSA-N 1 0 320.353 0.432 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(OC)cc(OC)c1O ZINC001236200889 769984468 /nfs/dbraw/zinc/98/44/68/769984468.db2.gz JLPGVNBRZUEKEK-PWSUYJOCSA-N 1 0 310.350 0.484 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(OC)cc(OC)c2O)C[C@@H]1[NH3+] ZINC001236351470 770003948 /nfs/dbraw/zinc/00/39/48/770003948.db2.gz LQUQQTPMCTVGNR-RYUDHWBXSA-N 1 0 310.350 0.342 20 10 DCCDRO CNC(=O)CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930705 770024363 /nfs/dbraw/zinc/02/43/63/770024363.db2.gz FEFMMJZLOGHACF-UHFFFAOYSA-N 1 0 308.401 0.755 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]1O ZINC001205369794 772989271 /nfs/dbraw/zinc/98/92/71/772989271.db2.gz IQQXDXPBXSGKMM-ZYHUDNBSSA-N 1 0 306.284 0.837 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1O ZINC001206092509 773047135 /nfs/dbraw/zinc/04/71/35/773047135.db2.gz KDPZFLJIODFJNL-IAGOWNOFSA-N 1 0 305.422 0.542 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616759 774559100 /nfs/dbraw/zinc/55/91/00/774559100.db2.gz CKTCJEHRJOPIFL-XVEJUIQISA-N 1 0 310.325 0.290 20 10 DCCDRO CCOC(=O)C1=C(NC(=O)Cc2ccc(N)cc2)CC[NH2+]C1 ZINC001220523327 774836728 /nfs/dbraw/zinc/83/67/28/774836728.db2.gz MMJTUBLMYPDMLU-UHFFFAOYSA-N 1 0 303.362 0.738 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ccon2)cc1C ZINC001268298916 940033882 /nfs/dbraw/zinc/03/38/82/940033882.db2.gz LQLWFANZZLBSJR-ZDUSSCGKSA-N 1 0 319.361 0.872 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001249177568 945622121 /nfs/dbraw/zinc/62/21/21/945622121.db2.gz DNJNGGJYZLYHCK-WBVHZDCISA-N 1 0 323.389 0.673 20 10 DCCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001249184634 945623766 /nfs/dbraw/zinc/62/37/66/945623766.db2.gz CNCBQGWOEGZAGC-ZBFHGGJFSA-N 1 0 320.389 0.623 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001249178960 945625360 /nfs/dbraw/zinc/62/53/60/945625360.db2.gz WXSXWKHREWVZTQ-KBPBESRZSA-N 1 0 309.362 0.283 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCOC2)cc1C ZINC001320199275 945764368 /nfs/dbraw/zinc/76/43/68/945764368.db2.gz AXOLTUVRDVSGDO-GJZGRUSLSA-N 1 0 322.405 0.607 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001328989122 949264603 /nfs/dbraw/zinc/26/46/03/949264603.db2.gz LLNOKEAXJLXHQA-CXAGYDPISA-N 1 0 317.389 0.690 20 10 DCCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001331082947 950887099 /nfs/dbraw/zinc/88/70/99/950887099.db2.gz JDSZNJWCJBJOLL-SJORKVTESA-N 1 0 323.412 0.505 20 10 DCCDRO O=C(NCCC1CC[NH2+]CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331168714 950983913 /nfs/dbraw/zinc/98/39/13/950983913.db2.gz NEUXLBORBXKWPQ-UHFFFAOYSA-N 1 0 317.389 0.740 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331958007 951409126 /nfs/dbraw/zinc/40/91/26/951409126.db2.gz OWUGOOTUAGUHSN-LBPRGKRZSA-N 1 0 307.394 0.984 20 10 DCCDRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332116200 951484565 /nfs/dbraw/zinc/48/45/65/951484565.db2.gz LIWKKYUSWYCPTJ-GFCCVEGCSA-N 1 0 303.362 0.574 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@H]1C[NH3+] ZINC001335261370 952506198 /nfs/dbraw/zinc/50/61/98/952506198.db2.gz HGEVTJJCUBULEZ-OLZOCXBDSA-N 1 0 319.405 0.794 20 10 DCCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H]1C(=O)OC ZINC001335581418 952559217 /nfs/dbraw/zinc/55/92/17/952559217.db2.gz CWRYMCAWNWVCDM-TXEJJXNPSA-N 1 0 323.345 0.795 20 10 DCCDRO C[NH+](C)CCN1CCC12C[NH+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055496 952879936 /nfs/dbraw/zinc/87/99/36/952879936.db2.gz KBALGUAYWBUQGO-UHFFFAOYSA-N 1 0 319.405 0.912 20 10 DCCDRO Nc1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC001343566026 953354372 /nfs/dbraw/zinc/35/43/72/953354372.db2.gz DBOCZRZSYCNWRS-ZDUSSCGKSA-N 1 0 300.366 0.715 20 10 DCCDRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)c1ccccc1O ZINC001344459899 953486402 /nfs/dbraw/zinc/48/64/02/953486402.db2.gz AZGAUYAEMDNLRZ-GHMZBOCLSA-N 1 0 303.362 0.390 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCO2)cc1C ZINC001283733181 954563430 /nfs/dbraw/zinc/56/34/30/954563430.db2.gz KQOQDAIPLABJEP-GOEBONIOSA-N 1 0 322.405 0.749 20 10 DCCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001352790594 955767137 /nfs/dbraw/zinc/76/71/37/955767137.db2.gz RXDSYPXOAMUKIE-UHFFFAOYSA-N 1 0 304.394 0.439 20 10 DCCDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC001352924484 955831295 /nfs/dbraw/zinc/83/12/95/955831295.db2.gz GGLSWUOVEFVRQL-QWRGUYRKSA-N 1 0 312.391 0.346 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001449079280 1014170601 /nfs/dbraw/zinc/17/06/01/1014170601.db2.gz GZKUKSMSSNTVDE-OLZOCXBDSA-N 1 0 306.362 0.308 20 10 DCCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)C1 ZINC001467369133 1016161263 /nfs/dbraw/zinc/16/12/63/1016161263.db2.gz HYUZLALFPNSAGQ-NEPJUHHUSA-N 1 0 308.378 0.554 20 10 DCCDRO NC(=O)c1cn(CCCC[NH2+]Cc2ccc3c(c2)CCO3)nn1 ZINC001474177955 1017003599 /nfs/dbraw/zinc/00/35/99/1017003599.db2.gz GCYXOHMKZXXBKN-UHFFFAOYSA-N 1 0 315.377 0.882 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1COCC[NH2+]1 ZINC000367642864 529786214 /nfs/dbraw/zinc/78/62/14/529786214.db2.gz KTUNCNAZMYLCJD-GFCCVEGCSA-N 1 0 305.378 0.857 20 10 DCCDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc(O)c3O)C2)CC1 ZINC000377048481 530049737 /nfs/dbraw/zinc/04/97/37/530049737.db2.gz SJZVWKDUMPQFKA-GFCCVEGCSA-N 1 0 319.405 0.996 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000230994535 416328046 /nfs/dbraw/zinc/32/80/46/416328046.db2.gz MVGCTXXJAXWWER-SNVBAGLBSA-N 1 0 302.396 0.943 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000237891488 527475899 /nfs/dbraw/zinc/47/58/99/527475899.db2.gz OMEPFOIFOXUZKB-HNNXBMFYSA-N 1 0 303.406 0.992 20 10 DCCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000925789992 661070986 /nfs/dbraw/zinc/07/09/86/661070986.db2.gz ZPANPZBCAQNBGH-QWHCGFSZSA-N 1 0 310.419 0.746 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C(N)=O)[NH+](C)C)cc1 ZINC000891248719 658084855 /nfs/dbraw/zinc/08/48/55/658084855.db2.gz NICHOIYYLIWGNU-AWEZNQCLSA-N 1 0 320.437 0.983 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2cnnn2)[NH+](C)C)cc1 ZINC000891255485 658095240 /nfs/dbraw/zinc/09/52/40/658095240.db2.gz QHZHWRUMMQLOQP-CQSZACIVSA-N 1 0 317.397 0.158 20 10 DCCDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(N2CCOCC2)cc1 ZINC000305219391 659225093 /nfs/dbraw/zinc/22/50/93/659225093.db2.gz KOWAJEKRLVCDRC-KRWDZBQOSA-N 1 0 307.438 0.925 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(N)=O)C2)cc1C ZINC000995069567 665754259 /nfs/dbraw/zinc/75/42/59/665754259.db2.gz GREXHFPNNNOALH-KBPBESRZSA-N 1 0 319.405 0.863 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCC(=O)N2C)cc1 ZINC000911667931 664097164 /nfs/dbraw/zinc/09/71/64/664097164.db2.gz UJSPQBNILGRXQD-LSDHHAIUSA-N 1 0 318.421 0.880 20 10 DCCDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732286957 664912112 /nfs/dbraw/zinc/91/21/12/664912112.db2.gz MLJIOMDQWGIBKA-UHFFFAOYSA-N 1 0 323.418 0.834 20 10 DCCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000861736264 666969446 /nfs/dbraw/zinc/96/94/46/666969446.db2.gz XFNVJPMROUYOPN-LSDHHAIUSA-N 1 0 318.421 0.626 20 10 DCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861756102 666973764 /nfs/dbraw/zinc/97/37/64/666973764.db2.gz YQJWKXKMQRBXRN-CYBMUJFWSA-N 1 0 316.405 0.485 20 10 DCCDRO CCOc1ccc(C[NH2+]CCCS(=O)(=O)NC)c(O)c1 ZINC000865707299 667340440 /nfs/dbraw/zinc/34/04/40/667340440.db2.gz QEQWTPHNJDIPQT-UHFFFAOYSA-N 1 0 302.396 0.820 20 10 DCCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c1 ZINC000866555081 667381127 /nfs/dbraw/zinc/38/11/27/667381127.db2.gz VRNIQDMGJFPSRW-DYVFJYSZSA-N 1 0 320.389 0.979 20 10 DCCDRO C[NH+](C)CCn1cc(C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000866757199 667394478 /nfs/dbraw/zinc/39/44/78/667394478.db2.gz MDLKCEFANDDMRN-UHFFFAOYSA-N 1 0 318.377 0.828 20 10 DCCDRO COCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884398193 667537324 /nfs/dbraw/zinc/53/73/24/667537324.db2.gz XYGKMUMWELVHKK-WFASDCNBSA-N 1 0 307.394 0.754 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000884633700 667580234 /nfs/dbraw/zinc/58/02/34/667580234.db2.gz WELZIONMQPUJEA-OBJOEFQTSA-N 1 0 318.421 0.878 20 10 DCCDRO C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988092 667781967 /nfs/dbraw/zinc/78/19/67/667781967.db2.gz GCNQIHKMSADPOH-WCQYABFASA-N 1 0 305.378 0.828 20 10 DCCDRO C[C@@H](O)CN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889662246 667981740 /nfs/dbraw/zinc/98/17/40/667981740.db2.gz ALPCDZGJYHXFCK-CQSZACIVSA-N 1 0 320.437 0.961 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](OC)C1)cc2=O ZINC000752320619 668015796 /nfs/dbraw/zinc/01/57/96/668015796.db2.gz DWFNACKXAPNGJC-LLVKDONJSA-N 1 0 320.349 0.832 20 10 DCCDRO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876522706 668460087 /nfs/dbraw/zinc/46/00/87/668460087.db2.gz ZYTNTVJMWRCPOL-AWEZNQCLSA-N 1 0 324.446 0.924 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC2)cc1 ZINC000876749228 668501635 /nfs/dbraw/zinc/50/16/35/668501635.db2.gz MFQICDHMLMQLFA-INIZCTEOSA-N 1 0 320.437 0.669 20 10 DCCDRO COC[C@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)C[NH2+]CCO1 ZINC000876880038 668526980 /nfs/dbraw/zinc/52/69/80/668526980.db2.gz YJNGHQVDSRMWIP-ZBEGNZNMSA-N 1 0 324.377 0.583 20 10 DCCDRO COC(=O)CNC(=O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000877706780 668640986 /nfs/dbraw/zinc/64/09/86/668640986.db2.gz RZRQRXDXNJUZNZ-UHFFFAOYSA-N 1 0 300.742 0.733 20 10 DCCDRO CCc1cccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1O ZINC000877733044 668643861 /nfs/dbraw/zinc/64/38/61/668643861.db2.gz QFJUHLBVTVLQFH-QGZVFWFLSA-N 1 0 320.389 0.672 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@H](C)O)cc2=O ZINC000772775909 668784649 /nfs/dbraw/zinc/78/46/49/668784649.db2.gz CGXVQVNXCPJUMB-VIFPVBQESA-N 1 0 308.338 0.424 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC000930737420 669072949 /nfs/dbraw/zinc/07/29/49/669072949.db2.gz MOLNREKZEJVFMS-RDJZCZTQSA-N 1 0 306.406 0.698 20 10 DCCDRO O=C1NC2(CO1)CC[NH+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC000784024160 669187354 /nfs/dbraw/zinc/18/73/54/669187354.db2.gz XTOZSMZCQAUSPP-ZDUSSCGKSA-N 1 0 320.345 0.892 20 10 DCCDRO CCC[NH+]1CCC(NC=C2C(=O)N(C)C(=O)N(C)C2=O)CC1 ZINC000028975961 669762893 /nfs/dbraw/zinc/76/28/93/669762893.db2.gz CVBFQILYAHOLMX-UHFFFAOYSA-N 1 0 308.382 0.385 20 10 DCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000190308896 670416051 /nfs/dbraw/zinc/41/60/51/670416051.db2.gz GOJQYPGSCYAPAH-UHFFFAOYSA-N 1 0 313.423 0.162 20 10 DCCDRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817282797 670909415 /nfs/dbraw/zinc/90/94/15/670909415.db2.gz KTUUCFCCNNEDFF-CQSZACIVSA-N 1 0 318.421 0.437 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000817949602 670955749 /nfs/dbraw/zinc/95/57/49/670955749.db2.gz KVEDFAFPIWUANE-UHFFFAOYSA-N 1 0 305.378 0.563 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC[NH3+] ZINC000817973706 670957965 /nfs/dbraw/zinc/95/79/65/670957965.db2.gz GUBJBPIXSHZBFE-UHFFFAOYSA-N 1 0 307.394 0.938 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000851655718 671005752 /nfs/dbraw/zinc/00/57/52/671005752.db2.gz VAHVOTKAWWBWMI-CYBMUJFWSA-N 1 0 306.410 0.930 20 10 DCCDRO Nc1ccc(CCNC(=O)N2CCN([C@H]3CCOC3)CC2)cc1 ZINC000851662813 671007187 /nfs/dbraw/zinc/00/71/87/671007187.db2.gz KMRWMXOMRUJOJY-INIZCTEOSA-N 1 0 318.421 0.927 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000851685119 671012934 /nfs/dbraw/zinc/01/29/34/671012934.db2.gz PPBOVYPXFIHTRU-UHFFFAOYSA-N 1 0 320.437 0.873 20 10 DCCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)CN1CCOCC1 ZINC000819095771 671094599 /nfs/dbraw/zinc/09/45/99/671094599.db2.gz UDJIJCZZJFVVMN-GOSISDBHSA-N 1 0 317.433 0.846 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2cn(C)nn2)cc1 ZINC000852791618 671160505 /nfs/dbraw/zinc/16/05/05/671160505.db2.gz KVTURRPIBDBIPH-OAHLLOKOSA-N 1 0 316.409 0.630 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(n3cnnn3)CC2)cc1 ZINC000852792089 671160819 /nfs/dbraw/zinc/16/08/19/671160819.db2.gz RHTCBAGCQISORP-CYBMUJFWSA-N 1 0 315.381 0.044 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(n3cnnn3)CC2)cc1 ZINC000852792091 671160836 /nfs/dbraw/zinc/16/08/36/671160836.db2.gz RHTCBAGCQISORP-ZDUSSCGKSA-N 1 0 315.381 0.044 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C3=NO[C@H](C[NH3+])C3)CC2)cc1 ZINC000852854531 671174878 /nfs/dbraw/zinc/17/48/78/671174878.db2.gz JIADSWMVLNQFBT-AWEZNQCLSA-N 1 0 318.377 0.447 20 10 DCCDRO O=C1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]2N1 ZINC000853558983 671245081 /nfs/dbraw/zinc/24/50/81/671245081.db2.gz QZGOASGXXJTDLH-YVLXSGLVSA-N 1 0 318.373 0.919 20 10 DCCDRO COc1c(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2=O)ccc1[N+](=O)[O-] ZINC000822521037 671327825 /nfs/dbraw/zinc/32/78/25/671327825.db2.gz WBYVJYJHBJVKGW-VIFPVBQESA-N 1 0 323.305 0.546 20 10 DCCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c(O)cccc1OC ZINC000824678723 671436851 /nfs/dbraw/zinc/43/68/51/671436851.db2.gz VGGHPLOUUZNLAL-SNVBAGLBSA-N 1 0 302.396 0.818 20 10 DCCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000826985830 671509122 /nfs/dbraw/zinc/50/91/22/671509122.db2.gz LQDUACUUSDBZNO-GJZGRUSLSA-N 1 0 312.435 0.963 20 10 DCCDRO C[NH2+]CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469513 671528767 /nfs/dbraw/zinc/52/87/67/671528767.db2.gz ZWAJKPCBJBQGLP-CYBMUJFWSA-N 1 0 304.394 0.224 20 10 DCCDRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666811 671558156 /nfs/dbraw/zinc/55/81/56/671558156.db2.gz IXKDCSRKDHOPLJ-CABZTGNLSA-N 1 0 310.350 0.859 20 10 DCCDRO COC(=O)N(C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299605 671713791 /nfs/dbraw/zinc/71/37/91/671713791.db2.gz FJFNDWCLWDWKIH-ZDUSSCGKSA-N 1 0 308.382 0.567 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CC[NH2+]C1 ZINC000841711804 671951306 /nfs/dbraw/zinc/95/13/06/671951306.db2.gz HJDLSOYDIYBGSN-CYBMUJFWSA-N 1 0 322.384 0.823 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000842011172 671973463 /nfs/dbraw/zinc/97/34/63/671973463.db2.gz LZIVFMIAIHJJGI-PWSUYJOCSA-N 1 0 309.366 0.749 20 10 DCCDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035748 671977474 /nfs/dbraw/zinc/97/74/74/671977474.db2.gz IINMONDHCNHCGI-DOMZBBRYSA-N 1 0 318.421 0.483 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000842036864 671978263 /nfs/dbraw/zinc/97/82/63/671978263.db2.gz SFZLQYAGADBXTC-CQSZACIVSA-N 1 0 304.394 0.222 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000842149395 671985942 /nfs/dbraw/zinc/98/59/42/671985942.db2.gz XZJISYKIEQQSLQ-NSHDSACASA-N 1 0 322.384 0.328 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842201803 671993436 /nfs/dbraw/zinc/99/34/36/671993436.db2.gz CPHYZMWNFTXMSP-NEPJUHHUSA-N 1 0 306.410 0.641 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])c1ccc(N(C)C)cc1 ZINC000842202735 671994167 /nfs/dbraw/zinc/99/41/67/671994167.db2.gz KYMGRWBRGJBQBE-NWDGAFQWSA-N 1 0 306.410 0.783 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[NH2+]C)cc1 ZINC000842208454 671994878 /nfs/dbraw/zinc/99/48/78/671994878.db2.gz UXDAIAFXHQFPSF-UHFFFAOYSA-N 1 0 320.437 0.875 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000842234021 671998233 /nfs/dbraw/zinc/99/82/33/671998233.db2.gz NDCJBSBPVHINKK-UHFFFAOYSA-N 1 0 318.421 0.579 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000842236271 671998732 /nfs/dbraw/zinc/99/87/32/671998732.db2.gz QXMDBMBPXAVDOS-UHFFFAOYSA-N 1 0 318.421 0.578 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000842237249 671998843 /nfs/dbraw/zinc/99/88/43/671998843.db2.gz ZHRANFDYFBKNFT-UHFFFAOYSA-N 1 0 318.421 0.579 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000842247642 671999779 /nfs/dbraw/zinc/99/97/79/671999779.db2.gz GLIUDYNGKWXSOZ-GFCCVEGCSA-N 1 0 307.394 0.842 20 10 DCCDRO O=C1N[C@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]2CO1 ZINC000842644918 672025093 /nfs/dbraw/zinc/02/50/93/672025093.db2.gz TUSXPYFLYQMKNJ-LJWDBELGSA-N 1 0 320.345 0.748 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2c[nH]cn2)cc1 ZINC000842784678 672036890 /nfs/dbraw/zinc/03/68/90/672036890.db2.gz KQLIDFRTGSWPFH-LBPRGKRZSA-N 1 0 309.395 0.454 20 10 DCCDRO CN(C)c1nc(N)nc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350804 672085883 /nfs/dbraw/zinc/08/58/83/672085883.db2.gz VKOOKJWNSSOJCS-UHFFFAOYSA-N 1 0 313.409 0.931 20 10 DCCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)[NH3+] ZINC000843489751 672103695 /nfs/dbraw/zinc/10/36/95/672103695.db2.gz TWDXQWQVWZNHRZ-QMMMGPOBSA-N 1 0 300.742 0.894 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)CCO)cc2=O ZINC000844446193 672181810 /nfs/dbraw/zinc/18/18/10/672181810.db2.gz GIVOVTLVYKGGAW-JTQLQIEISA-N 1 0 322.365 0.814 20 10 DCCDRO COc1ccc(O)c(CN2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000846012056 672289539 /nfs/dbraw/zinc/28/95/39/672289539.db2.gz UXELSTJCXPVHBG-UHFFFAOYSA-N 1 0 307.394 0.607 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)cc1 ZINC000846674046 672335616 /nfs/dbraw/zinc/33/56/16/672335616.db2.gz ZKHXRVCVBKKWNA-INIZCTEOSA-N 1 0 320.437 0.623 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)ccc21 ZINC000846674430 672335801 /nfs/dbraw/zinc/33/58/01/672335801.db2.gz WZJZBDVFHYOCLM-YJBOKZPZSA-N 1 0 315.417 0.921 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000846696784 672338680 /nfs/dbraw/zinc/33/86/80/672338680.db2.gz HXHDGGFHHXYZHI-MRXNPFEDSA-N 1 0 322.453 0.869 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)C2)cc(OC)n1 ZINC001015105384 692193652 /nfs/dbraw/zinc/19/36/52/692193652.db2.gz VZYFJFWSLHWXSM-CMPLNLGQSA-N 1 0 309.366 0.284 20 10 DCCDRO CNC(=O)[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc2O1 ZINC001578549744 1165056866 /nfs/dbraw/zinc/05/68/66/1165056866.db2.gz ZEJWAGUCOPOKPW-BXUZGUMPSA-N 1 0 301.346 0.574 20 10 DCCDRO Cc1ccc(C[N@H+](CCN2CC[NH+](C)CC2)CC(=O)[O-])c(O)c1 ZINC001600410899 1168180449 /nfs/dbraw/zinc/18/04/49/1168180449.db2.gz PXWWKPVHBNELPX-UHFFFAOYSA-N 1 0 321.421 0.835 20 10 DCCDRO COc1cc(C)c(CN2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC001660184124 1173957629 /nfs/dbraw/zinc/95/76/29/1173957629.db2.gz IHJWFVPQAYOXCF-UHFFFAOYSA-N 1 0 321.421 0.915 20 10 DCCDRO C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001662429526 1174208575 /nfs/dbraw/zinc/20/85/75/1174208575.db2.gz LPGLUCPXBAAQKS-VHSXEESVSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)NC(N)=O)cc1C ZINC001669539244 1174933996 /nfs/dbraw/zinc/93/39/96/1174933996.db2.gz GUBMQYRAOUVAEW-RYUDHWBXSA-N 1 0 322.409 0.655 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)CCNC(N)=O)cc1C ZINC001714790849 1181546977 /nfs/dbraw/zinc/54/69/77/1181546977.db2.gz SVSHYFQOYDQWPO-UHFFFAOYSA-N 1 0 322.409 0.610 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCO2)cc1C ZINC001715576323 1181864578 /nfs/dbraw/zinc/86/45/78/1181864578.db2.gz PZNHLVXEHVZGPK-HOCLYGCPSA-N 1 0 322.405 0.749 20 10 DCCDRO COC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716387844 1182369060 /nfs/dbraw/zinc/36/90/60/1182369060.db2.gz HDSCDBLAKVOGJX-GFCCVEGCSA-N 1 0 323.393 0.954 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)Cc2nnc(C)[nH]2)cc1C ZINC001126921631 750129953 /nfs/dbraw/zinc/12/99/53/750129953.db2.gz SQZVUIRHPFIXEQ-UHFFFAOYSA-N 1 0 317.393 0.879 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)cc1C ZINC001054505196 756519139 /nfs/dbraw/zinc/51/91/39/756519139.db2.gz FPYQEJFILSDORM-JSGCOSHPSA-N 1 0 319.405 0.816 20 10 DCCDRO CS(=O)(=O)NCC[NH2+]Cc1ccc(Br)cc1O ZINC000691440894 761051909 /nfs/dbraw/zinc/05/19/09/761051909.db2.gz SPNAJDSEHJWMOV-UHFFFAOYSA-N 1 0 323.212 0.794 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]2(C)CCNC2=O)cc1C ZINC001133766506 765132588 /nfs/dbraw/zinc/13/25/88/765132588.db2.gz GTOQBVXXYDCKSP-KRWDZBQOSA-N 1 0 319.405 0.736 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001117979902 766184625 /nfs/dbraw/zinc/18/46/25/766184625.db2.gz AYWIJOYFSWQUAE-OLZOCXBDSA-N 1 0 305.378 0.737 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001118060283 766213165 /nfs/dbraw/zinc/21/31/65/766213165.db2.gz XZYWHKVHRPHCPT-OKILXGFUSA-N 1 0 317.389 0.704 20 10 DCCDRO CON(C)C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001119960884 766872943 /nfs/dbraw/zinc/87/29/43/766872943.db2.gz DXXDXHLTCICYGL-AWEZNQCLSA-N 1 0 322.409 0.491 20 10 DCCDRO C[NH+](C)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCOCC1 ZINC001146987612 767592298 /nfs/dbraw/zinc/59/22/98/767592298.db2.gz ZQNDFKCQYZVNDP-UHFFFAOYSA-N 1 0 308.378 0.867 20 10 DCCDRO C[NH+](C)CCN1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231559640 769269685 /nfs/dbraw/zinc/26/96/85/769269685.db2.gz HJKNBCBCNYOGRC-UHFFFAOYSA-N 1 0 307.394 0.770 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)C[C@@H]1C(=O)OC ZINC001173575545 769675571 /nfs/dbraw/zinc/67/55/71/769675571.db2.gz FWKAXYDKXHOOMP-ZSBIGDGJSA-N 1 0 323.345 0.928 20 10 DCCDRO COc1cc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c(OC)c1 ZINC001234994237 769738800 /nfs/dbraw/zinc/73/88/00/769738800.db2.gz QNCLKMFOHODMCS-INIZCTEOSA-N 1 0 307.394 0.547 20 10 DCCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 ZINC001236027748 769970221 /nfs/dbraw/zinc/97/02/21/769970221.db2.gz OKAVAGLMCDYKQV-GDBMZVCRSA-N 1 0 321.446 0.454 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2c(O)cc(OC)cc2Cl)C[C@@H]1[NH3+] ZINC001236349815 770003530 /nfs/dbraw/zinc/00/35/30/770003530.db2.gz HOWAMBHBXIRGMH-PWSUYJOCSA-N 1 0 314.769 0.986 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CCCO)cc1 ZINC001177237843 770385303 /nfs/dbraw/zinc/38/53/03/770385303.db2.gz NCLNJSTZQSKBNB-UHFFFAOYSA-N 1 0 307.354 0.941 20 10 DCCDRO Nc1ccc(CC(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219838722 774624366 /nfs/dbraw/zinc/62/43/66/774624366.db2.gz UARZMBGEKRWCHL-WMLDXEAASA-N 1 0 319.405 0.323 20 10 DCCDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)Cc2ccc(N)cc2)O1 ZINC001220481303 774822501 /nfs/dbraw/zinc/82/25/01/774822501.db2.gz CTUYNCFXDMTUFM-FMKPAKJESA-N 1 0 307.394 0.652 20 10 DCCDRO O=C([O-])c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222506920 775371414 /nfs/dbraw/zinc/37/14/14/775371414.db2.gz HPDAGTRTCDCENH-KBPBESRZSA-N 1 0 305.378 0.616 20 10 DCCDRO C[N@@H+]1CCC2(CN(C(=O)[C@H](O)Cc3ccc(O)c(O)c3)C2)C1 ZINC001272972345 945161912 /nfs/dbraw/zinc/16/19/12/945161912.db2.gz RTHPCPNZVZLWSF-CQSZACIVSA-N 1 0 306.362 0.165 20 10 DCCDRO C[C@@H](CC[NH2+]CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482904576 941706271 /nfs/dbraw/zinc/70/62/71/941706271.db2.gz YEHIOOCLYYQWTF-JTQLQIEISA-N 1 0 307.354 0.939 20 10 DCCDRO CN(C)c1ccc([C@@H](O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001272784587 944225188 /nfs/dbraw/zinc/22/51/88/944225188.db2.gz WDHZAPOQCNWMGI-NUEKZKHPSA-N 1 0 303.406 0.949 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(F)F)cc1C ZINC001320188968 945762384 /nfs/dbraw/zinc/76/23/84/945762384.db2.gz OPQBTUSCYVYNOZ-NSHDSACASA-N 1 0 302.321 0.835 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC001326801933 948281933 /nfs/dbraw/zinc/28/19/33/948281933.db2.gz STIGARKUWOGATO-UHFFFAOYSA-N 1 0 319.405 0.951 20 10 DCCDRO C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C[NH2+]1 ZINC001329116671 949367728 /nfs/dbraw/zinc/36/77/28/949367728.db2.gz ULUMPWCLWZKASD-WCQYABFASA-N 1 0 305.378 0.607 20 10 DCCDRO O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1Cc2cccc(O)c2C1 ZINC001329517076 949656598 /nfs/dbraw/zinc/65/65/98/949656598.db2.gz QFMUOGKAUZHKOM-KGLIPLIRSA-N 1 0 315.373 0.587 20 10 DCCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001330567821 950511932 /nfs/dbraw/zinc/51/19/32/950511932.db2.gz MIAJXVHMGLKTAX-MNOVXSKESA-N 1 0 303.362 0.430 20 10 DCCDRO CN1CC[N@H+](Cc2cc(O)ccc2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001275418421 952134817 /nfs/dbraw/zinc/13/48/17/952134817.db2.gz CXAUFPPFNJZEBV-QGZVFWFLSA-N 1 0 319.405 0.884 20 10 DCCDRO COc1ccc(CNC(=O)NCCN2CCC([NH3+])CC2)c(O)c1 ZINC001336963128 952789350 /nfs/dbraw/zinc/78/93/50/952789350.db2.gz IHXQZOYKBJRSDB-UHFFFAOYSA-N 1 0 322.409 0.623 20 10 DCCDRO Nc1ccc(CC(=O)N2CCc3[nH]cnc3[C@]23CC[NH2+]C3)cc1 ZINC001341144332 953212624 /nfs/dbraw/zinc/21/26/24/953212624.db2.gz KSDFEYVAHDVHFQ-QGZVFWFLSA-N 1 0 311.389 0.808 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)cc1 ZINC001342159263 953274162 /nfs/dbraw/zinc/27/41/62/953274162.db2.gz KADKJDNIAGRHDP-YOEHRIQHSA-N 1 0 321.421 0.703 20 10 DCCDRO Nc1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC001346739663 953952178 /nfs/dbraw/zinc/95/21/78/953952178.db2.gz SLYXKPFENAMDOD-OAHLLOKOSA-N 1 0 303.410 0.458 20 10 DCCDRO CCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@H]1CC[N@H+](C)C1 ZINC001347004286 954001382 /nfs/dbraw/zinc/00/13/82/954001382.db2.gz OVMHHSBYDDCESE-AWEZNQCLSA-N 1 0 319.405 0.903 20 10 DCCDRO C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1C[NH3+] ZINC001351984733 955480771 /nfs/dbraw/zinc/48/07/71/955480771.db2.gz YMCCGMDNOHJQNP-AAEUAGOBSA-N 1 0 317.389 0.678 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1F ZINC001353287225 956004966 /nfs/dbraw/zinc/00/49/66/956004966.db2.gz XYBCDZDLSMVEEL-HAQNSBGRSA-N 1 0 322.384 0.361 20 10 DCCDRO COc1ccc(O)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)c1 ZINC001548670237 1012931936 /nfs/dbraw/zinc/93/19/36/1012931936.db2.gz ASHJCZMIBSLMPS-RISCZKNCSA-N 1 0 305.378 0.405 20 10 DCCDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000081554372 192288744 /nfs/dbraw/zinc/28/87/44/192288744.db2.gz AUILUTMDTOGTFY-CYBMUJFWSA-N 1 0 320.437 0.683 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC000273170076 130095119 /nfs/dbraw/zinc/09/51/19/130095119.db2.gz MHAUQYZROIOILV-CHWSQXEVSA-N 1 0 321.421 0.781 20 10 DCCDRO COC(=O)c1cn(CC[NH2+]Cc2cccc(OC)c2O)nn1 ZINC000284002900 131040499 /nfs/dbraw/zinc/04/04/99/131040499.db2.gz MQDJCBGMVQFXLM-UHFFFAOYSA-N 1 0 306.322 0.569 20 10 DCCDRO COc1c(O)c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000282190105 396270339 /nfs/dbraw/zinc/27/03/39/396270339.db2.gz GFAXOIDKKYJVPX-KWQFWETISA-N 1 0 309.322 0.923 20 10 DCCDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(O)c2O)CC1 ZINC000186928869 396360456 /nfs/dbraw/zinc/36/04/56/396360456.db2.gz OHALRZXNFSHCPA-UHFFFAOYSA-N 1 0 307.394 0.855 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000193128372 396444367 /nfs/dbraw/zinc/44/43/67/396444367.db2.gz DRTUOAOIBBIQGK-LBPRGKRZSA-N 1 0 306.362 0.892 20 10 DCCDRO C[N@H+](CCO)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980509777 660951604 /nfs/dbraw/zinc/95/16/04/660951604.db2.gz BJYNWYLKVVUQNA-CYBMUJFWSA-N 1 0 319.365 0.988 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(O)c1OC ZINC000891436801 658746077 /nfs/dbraw/zinc/74/60/77/658746077.db2.gz PWNLYQBGAUQMNL-SNVBAGLBSA-N 1 0 301.364 0.686 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)c(O)c1OC ZINC000892947097 659550973 /nfs/dbraw/zinc/55/09/73/659550973.db2.gz CNUQZGMDCPRPOB-SECBINFHSA-N 1 0 303.380 0.932 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c(O)c1OC ZINC000895011935 662043036 /nfs/dbraw/zinc/04/30/36/662043036.db2.gz HXISHMJAZGBUOQ-SNVBAGLBSA-N 1 0 308.334 0.646 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c1 ZINC000896685769 662304648 /nfs/dbraw/zinc/30/46/48/662304648.db2.gz MNMJLMJWNQZUIW-AWEZNQCLSA-N 1 0 315.391 0.694 20 10 DCCDRO COc1cccc(CNC(=O)NCCOCC[NH+](C)C)c1O ZINC000788019401 662403923 /nfs/dbraw/zinc/40/39/23/662403923.db2.gz TUYNWBDERUZSCA-UHFFFAOYSA-N 1 0 311.382 0.778 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000897276784 662422491 /nfs/dbraw/zinc/42/24/91/662422491.db2.gz BMUBDOKGBSYYGH-OAHLLOKOSA-N 1 0 324.450 0.395 20 10 DCCDRO COc1ccc(C[NH2+]C2CCN(C(=O)CC(N)=O)CC2)cc1C ZINC000990434562 663049249 /nfs/dbraw/zinc/04/92/49/663049249.db2.gz GAAQFTKNIVJXPM-UHFFFAOYSA-N 1 0 319.405 0.960 20 10 DCCDRO Oc1cc2c(cc1CN1CCO[C@@H]3COCC[C@@H]31)[C@H](O)CO2 ZINC000902626994 663423511 /nfs/dbraw/zinc/42/35/11/663423511.db2.gz QKDBXFJPQANQRS-JGGQBBKZSA-N 1 0 307.346 0.808 20 10 DCCDRO COc1cccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c1O ZINC000903969079 663499512 /nfs/dbraw/zinc/49/95/12/663499512.db2.gz UOEIFOOOGWXUON-GFCCVEGCSA-N 1 0 314.407 0.267 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903968900 663499623 /nfs/dbraw/zinc/49/96/23/663499623.db2.gz PWEMGCLKDKZFKQ-LLVKDONJSA-N 1 0 314.407 0.267 20 10 DCCDRO O=S(=O)(CC1CC[NH2+]CC1)NCc1c(O)cccc1F ZINC000905361456 663549145 /nfs/dbraw/zinc/54/91/45/663549145.db2.gz GJPKPFZWLWNSOJ-UHFFFAOYSA-N 1 0 302.371 0.950 20 10 DCCDRO CN(C)c1ccc([C@@H](C[NH2+]CCC(=O)NC(N)=O)N(C)C)cc1 ZINC000905705106 663576628 /nfs/dbraw/zinc/57/66/28/663576628.db2.gz PYZVMUIMOZUCCL-CQSZACIVSA-N 1 0 321.425 0.530 20 10 DCCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)N(C)C)[NH+](C)C)cc1 ZINC000908458457 663757232 /nfs/dbraw/zinc/75/72/32/663757232.db2.gz VREWJKHRYKLFLD-AWEZNQCLSA-N 1 0 314.455 0.751 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2cn[nH]n2)cc1 ZINC000911666206 664096869 /nfs/dbraw/zinc/09/68/69/664096869.db2.gz HSVCNFSULUOUCX-AWEZNQCLSA-N 1 0 302.382 0.620 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](O)C3CC3)cc2)CC1 ZINC000918851735 665186298 /nfs/dbraw/zinc/18/62/98/665186298.db2.gz AFOHEIHTTNPNJV-INIZCTEOSA-N 1 0 303.406 0.826 20 10 DCCDRO COCC[N@H+](C)CCNC(=O)NCc1cc(OC)ccc1O ZINC000734070758 666845887 /nfs/dbraw/zinc/84/58/87/666845887.db2.gz KRMZMQWYYSXXNE-UHFFFAOYSA-N 1 0 311.382 0.778 20 10 DCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861751208 666972734 /nfs/dbraw/zinc/97/27/34/666972734.db2.gz ZZSDNPOJDRHQOR-SNVBAGLBSA-N 1 0 310.373 0.314 20 10 DCCDRO COc1c(O)c(C[N@H+](C)[C@]2(CO)CCOC2)ccc1[N+](=O)[O-] ZINC000862428484 667043233 /nfs/dbraw/zinc/04/32/33/667043233.db2.gz ROXIRQCISDTKFY-AWEZNQCLSA-N 1 0 312.322 0.892 20 10 DCCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000868399816 667566095 /nfs/dbraw/zinc/56/60/95/667566095.db2.gz CPXYFMMHCATYLO-JSGCOSHPSA-N 1 0 318.421 0.659 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000884633464 667580250 /nfs/dbraw/zinc/58/02/50/667580250.db2.gz KEJCEXSQGVPIMR-WHOFXGATSA-N 1 0 316.405 0.503 20 10 DCCDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(O)c1O ZINC000869779440 667681714 /nfs/dbraw/zinc/68/17/14/667681714.db2.gz SYTFHNOJMRYMDW-NSHDSACASA-N 1 0 308.378 0.981 20 10 DCCDRO C[C@H](CO)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663825 667981779 /nfs/dbraw/zinc/98/17/79/667981779.db2.gz VDOKLCJQDFCJRR-CQSZACIVSA-N 1 0 320.437 0.961 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC000763026272 668392461 /nfs/dbraw/zinc/39/24/61/668392461.db2.gz PHAPXHWRPJHUBK-INIZCTEOSA-N 1 0 324.400 0.758 20 10 DCCDRO COc1ccc(N(C)CCN(C)S(=O)(=O)C2C[NH2+]C2)cc1 ZINC000923650715 668472277 /nfs/dbraw/zinc/47/22/77/668472277.db2.gz AVIFQYUXWXYMDG-UHFFFAOYSA-N 1 0 313.423 0.365 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)cc1 ZINC000876930841 668538122 /nfs/dbraw/zinc/53/81/22/668538122.db2.gz DMOPJTQGVGYLCT-VBNZEHGJSA-N 1 0 319.405 0.754 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000768233215 668603490 /nfs/dbraw/zinc/60/34/90/668603490.db2.gz LSYZDXBTAURBBC-UHFFFAOYSA-N 1 0 314.407 0.868 20 10 DCCDRO COC(=O)CNC(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000877706257 668639823 /nfs/dbraw/zinc/63/98/23/668639823.db2.gz IZGZQWHXKAIZNK-UHFFFAOYSA-N 1 0 300.742 0.733 20 10 DCCDRO NC(=O)[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000930887650 669101366 /nfs/dbraw/zinc/10/13/66/669101366.db2.gz PBSYJBKCIAYZAV-MRXNPFEDSA-N 1 0 305.378 0.257 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000785978601 669283730 /nfs/dbraw/zinc/28/37/30/669283730.db2.gz GGCKTBIODNJKDX-SNVBAGLBSA-N 1 0 300.380 0.654 20 10 DCCDRO CS(=O)(=O)NC1CC([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000800890265 670103422 /nfs/dbraw/zinc/10/34/22/670103422.db2.gz CMHHYPQHHHVZDX-UHFFFAOYSA-N 1 0 314.363 0.291 20 10 DCCDRO COc1cccc(O)c1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000800890286 670103830 /nfs/dbraw/zinc/10/38/30/670103830.db2.gz DIRSKFRTANWHDP-UHFFFAOYSA-N 1 0 300.380 0.571 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000817940856 670955058 /nfs/dbraw/zinc/95/50/58/670955058.db2.gz LJGMIQXFYIDGFK-QMMMGPOBSA-N 1 0 303.409 0.632 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000858224728 670981355 /nfs/dbraw/zinc/98/13/55/670981355.db2.gz PWYNYWYRRLNPNI-ZDUSSCGKSA-N 1 0 307.394 0.830 20 10 DCCDRO O[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858298102 670989598 /nfs/dbraw/zinc/98/95/98/670989598.db2.gz MOWANCIJJAHLRD-OAHLLOKOSA-N 1 0 323.412 0.819 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)CCOC3C[NH2+]C3)C2)cc1 ZINC000851639665 671002820 /nfs/dbraw/zinc/00/28/20/671002820.db2.gz JCTJFCQBNJALJE-CYBMUJFWSA-N 1 0 319.405 0.769 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851685775 671013643 /nfs/dbraw/zinc/01/36/43/671013643.db2.gz GJWXPIVRKSBDLJ-RYUDHWBXSA-N 1 0 306.410 0.654 20 10 DCCDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000818997356 671084516 /nfs/dbraw/zinc/08/45/16/671084516.db2.gz YQYGIEYDIMYQAZ-AWEZNQCLSA-N 1 0 318.333 0.877 20 10 DCCDRO COc1ccc(N2CC[C@H](C[NH2+]CCC(=O)NC(N)=O)C2)cc1 ZINC000819379168 671115790 /nfs/dbraw/zinc/11/57/90/671115790.db2.gz CZEAOLPJDDIHRV-GFCCVEGCSA-N 1 0 320.393 0.696 20 10 DCCDRO CC(=O)c1cc(Cl)cc(CN(CC[NH3+])C[C@H](O)CO)c1O ZINC000852754300 671156873 /nfs/dbraw/zinc/15/68/73/671156873.db2.gz SNBKAGRZBZNNSQ-LBPRGKRZSA-N 1 0 316.785 0.362 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C[NH3+])OC)C2)cc1 ZINC000852843974 671172361 /nfs/dbraw/zinc/17/23/61/671172361.db2.gz LNFMTUKVJRZGMZ-DOMZBBRYSA-N 1 0 307.394 0.754 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852844001 671172650 /nfs/dbraw/zinc/17/26/50/671172650.db2.gz MMRDFNCMYURQOL-FZMZJTMJSA-N 1 0 321.377 0.281 20 10 DCCDRO [NH3+]C[C@H]1CC(C(=O)NCc2ccc(N3CCOCC3)cc2)=NO1 ZINC000852859519 671176695 /nfs/dbraw/zinc/17/66/95/671176695.db2.gz WARGSYCDGCKYQH-CQSZACIVSA-N 1 0 318.377 0.243 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852895584 671189104 /nfs/dbraw/zinc/18/91/04/671189104.db2.gz FDSDRTNDUATMKK-HOTGVXAUSA-N 1 0 321.421 0.954 20 10 DCCDRO O=C1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]2N1 ZINC000853558977 671245316 /nfs/dbraw/zinc/24/53/16/671245316.db2.gz QZGOASGXXJTDLH-DGFSRKRXSA-N 1 0 318.373 0.919 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccn(C)c2=O)cc1 ZINC000832272596 671712833 /nfs/dbraw/zinc/71/28/33/671712833.db2.gz HMVMYKNYHIPNHB-HNNXBMFYSA-N 1 0 314.389 0.881 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccn(C)n2)cc1 ZINC000832284945 671713625 /nfs/dbraw/zinc/71/36/25/671713625.db2.gz OFVAKRSZNYWIQT-HNNXBMFYSA-N 1 0 301.394 0.845 20 10 DCCDRO C[NH+](C)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837708422 671873021 /nfs/dbraw/zinc/87/30/21/671873021.db2.gz UGXMWULCEMXDIR-UHFFFAOYSA-N 1 0 313.348 0.979 20 10 DCCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000841892818 671963313 /nfs/dbraw/zinc/96/33/13/671963313.db2.gz XUWYSZZEDLDAQL-CYBMUJFWSA-N 1 0 322.361 0.654 20 10 DCCDRO COc1ccc(N2CCN(C(=O)NCC3C[NH2+]C3)CC2)cc1F ZINC000841965291 671969763 /nfs/dbraw/zinc/96/97/63/671969763.db2.gz UCXZENRNZKYRBK-UHFFFAOYSA-N 1 0 322.384 0.885 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000842035378 671977430 /nfs/dbraw/zinc/97/74/30/671977430.db2.gz GIKAAQMOIZTNPF-CHWSQXEVSA-N 1 0 318.421 0.578 20 10 DCCDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035154 671977605 /nfs/dbraw/zinc/97/76/05/671977605.db2.gz DOONHUJVWQMARZ-GFCCVEGCSA-N 1 0 304.394 0.189 20 10 DCCDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036234 671978005 /nfs/dbraw/zinc/97/80/05/671978005.db2.gz LXBOXDFAXIUOTC-CQSZACIVSA-N 1 0 306.410 0.468 20 10 DCCDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCSc1nccs1 ZINC000842091137 671981910 /nfs/dbraw/zinc/98/19/10/671981910.db2.gz AWCWBOBNVWWMQN-QMMMGPOBSA-N 1 0 302.425 0.205 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000842202740 671994136 /nfs/dbraw/zinc/99/41/36/671994136.db2.gz KYRKLKFFCMPICY-QWHCGFSZSA-N 1 0 318.421 0.750 20 10 DCCDRO CN(C)c1ccc(CN(C(=O)C(=O)NCC[NH3+])C2CC2)cc1 ZINC000842221949 671996409 /nfs/dbraw/zinc/99/64/09/671996409.db2.gz DHGSUEUKSRNCLM-UHFFFAOYSA-N 1 0 304.394 0.319 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842223835 671996529 /nfs/dbraw/zinc/99/65/29/671996529.db2.gz FKDFGCQYYUJOPD-UHFFFAOYSA-N 1 0 306.410 0.437 20 10 DCCDRO C[NH2+]CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842233112 671998300 /nfs/dbraw/zinc/99/83/00/671998300.db2.gz YQOZQSPFVYJZJV-UHFFFAOYSA-N 1 0 318.421 0.579 20 10 DCCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842243396 671999807 /nfs/dbraw/zinc/99/98/07/671999807.db2.gz YQEYAVZLQBQFCQ-OAHLLOKOSA-N 1 0 318.421 0.528 20 10 DCCDRO CCOCCS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784182 672036977 /nfs/dbraw/zinc/03/69/77/672036977.db2.gz HJVCYYJLHVWYFD-AWEZNQCLSA-N 1 0 315.439 0.708 20 10 DCCDRO CCN1C[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1=O ZINC000843296422 672079746 /nfs/dbraw/zinc/07/97/46/672079746.db2.gz CSKBOQLGQXKUGJ-DZGCQCFKSA-N 1 0 318.421 0.737 20 10 DCCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC(=O)NC1CC1 ZINC000843349447 672085623 /nfs/dbraw/zinc/08/56/23/672085623.db2.gz AAWWBVCYFUIFMO-UHFFFAOYSA-N 1 0 302.378 0.886 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000844226860 672166521 /nfs/dbraw/zinc/16/65/21/672166521.db2.gz QYZYQHBMVGTKCN-INIZCTEOSA-N 1 0 320.437 0.418 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1O ZINC000846141481 672296876 /nfs/dbraw/zinc/29/68/76/672296876.db2.gz JTWAHPFJILWHEK-LBPRGKRZSA-N 1 0 307.394 0.825 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000846171349 672299242 /nfs/dbraw/zinc/29/92/42/672299242.db2.gz RXMHXMBKFJFDBG-SNVBAGLBSA-N 1 0 302.396 0.943 20 10 DCCDRO COc1ccc(C[NH2+]CC(=O)N2CCN(C)CC2)c(O)c1OC ZINC000892714803 685433473 /nfs/dbraw/zinc/43/34/73/685433473.db2.gz TURDUSYILMXPII-UHFFFAOYSA-N 1 0 323.393 0.273 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C(N)=O)cc1C ZINC001037067993 693910376 /nfs/dbraw/zinc/91/03/76/693910376.db2.gz HRZSLILKZCKSBF-UONOGXRCSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)CC(N)=O)C2CC2)cc1C ZINC001569297515 1161003633 /nfs/dbraw/zinc/00/36/33/1161003633.db2.gz MAPVPDYVBKLFHT-CQSZACIVSA-N 1 0 319.405 0.863 20 10 DCCDRO CCOC(=O)C[C@H](O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577944613 1164854640 /nfs/dbraw/zinc/85/46/40/1164854640.db2.gz YTPRMNBTRGTAHH-KBPBESRZSA-N 1 0 323.393 0.183 20 10 DCCDRO COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC001578873725 1165145766 /nfs/dbraw/zinc/14/57/66/1165145766.db2.gz HFNOPSANEQHFOB-NSHDSACASA-N 1 0 315.329 0.806 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])[C@@H](C)O)CC2)cc1 ZINC001579225575 1165243136 /nfs/dbraw/zinc/24/31/36/1165243136.db2.gz PWTFFTPAFNSXIT-DOMZBBRYSA-N 1 0 307.394 0.442 20 10 DCCDRO C[N@H+](CCCO)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001631965700 1171608141 /nfs/dbraw/zinc/60/81/41/1171608141.db2.gz MKNWDGCDAVVIKC-UHFFFAOYSA-N 1 0 322.405 0.946 20 10 DCCDRO COc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c1O ZINC001652385507 1173768830 /nfs/dbraw/zinc/76/88/30/1173768830.db2.gz PKTOXGCXKIIPIX-UHFFFAOYSA-N 1 0 312.347 0.931 20 10 DCCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cn1ccnn1 ZINC001658099222 1173919228 /nfs/dbraw/zinc/91/92/28/1173919228.db2.gz TWJWPQUKVNMZST-MRXNPFEDSA-N 1 0 317.393 0.265 20 10 DCCDRO COc1ccc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)c(O)c1OC ZINC001659110628 1173930287 /nfs/dbraw/zinc/93/02/87/1173930287.db2.gz CUWGHXRFZWBNMW-AAEUAGOBSA-N 1 0 311.378 0.832 20 10 DCCDRO CCOCc1cc(C[NH2+]C[C@@H](O)Cn2ccnn2)ccc1OC ZINC001662619214 1174223946 /nfs/dbraw/zinc/22/39/46/1174223946.db2.gz NDNTVEUKIJDTNV-OAHLLOKOSA-N 1 0 320.393 0.974 20 10 DCCDRO C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001700433141 1178615252 /nfs/dbraw/zinc/61/52/52/1178615252.db2.gz YSVCUXOSSBJRJS-ZJUUUORDSA-N 1 0 307.354 0.938 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)[NH2+]CC2CC2)cc1 ZINC001717784680 1183000731 /nfs/dbraw/zinc/00/07/31/1183000731.db2.gz NXKPTFHPIHYZTB-CYBMUJFWSA-N 1 0 319.365 0.939 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CCCN(C)S(C)(=O)=O)c1 ZINC000692479488 747606174 /nfs/dbraw/zinc/60/61/74/747606174.db2.gz IVFCFZDVIXJIID-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@@H](C)C2)cc1C ZINC001044727784 752852456 /nfs/dbraw/zinc/85/24/56/752852456.db2.gz IWAOEIQPVDOHHG-JSGCOSHPSA-N 1 0 319.405 0.958 20 10 DCCDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccc(O)c(O)c1 ZINC001123768887 768053801 /nfs/dbraw/zinc/05/38/01/768053801.db2.gz FLHNGPXNCXNDPM-AAEUAGOBSA-N 1 0 305.378 0.145 20 10 DCCDRO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141156707 768569691 /nfs/dbraw/zinc/56/96/91/768569691.db2.gz RFUKWHYKWBQATE-CABZTGNLSA-N 1 0 307.268 0.958 20 10 DCCDRO C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566177 769269553 /nfs/dbraw/zinc/26/95/53/769269553.db2.gz SVKWUEQOMUJHQK-UHFFFAOYSA-N 1 0 307.394 0.770 20 10 DCCDRO COC(=O)CN1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231636052 769270859 /nfs/dbraw/zinc/27/08/59/769270859.db2.gz PRSWDNDGUJIHHB-UHFFFAOYSA-N 1 0 310.350 0.397 20 10 DCCDRO C[NH+](C)CCCN1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016954 769343590 /nfs/dbraw/zinc/34/35/90/769343590.db2.gz QAGSLVMKBDNMNC-UHFFFAOYSA-N 1 0 309.410 0.873 20 10 DCCDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCN1C1CC1 ZINC001171999888 769407032 /nfs/dbraw/zinc/40/70/32/769407032.db2.gz WTNSEWOCROZXGE-NHYWBVRUSA-N 1 0 306.362 0.874 20 10 DCCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)cc1O ZINC001173735431 769704881 /nfs/dbraw/zinc/70/48/81/769704881.db2.gz SXJVCGXERVMLHJ-XUJVJEKNSA-N 1 0 319.365 0.891 20 10 DCCDRO c1cc(N2CCOCC2)ccc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234978832 769731236 /nfs/dbraw/zinc/73/12/36/769731236.db2.gz BLUXJNHAKXAMCJ-SFHVURJKSA-N 1 0 316.449 0.661 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)c(OC)cc2O)C[C@H]1[NH3+] ZINC001236348309 770001393 /nfs/dbraw/zinc/00/13/93/770001393.db2.gz CJORHHVHFCOPCK-GXSJLCMTSA-N 1 0 314.769 0.986 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[N@H+]3CC[C@H](CO)C3)cc2)CC1 ZINC001237205938 770035024 /nfs/dbraw/zinc/03/50/24/770035024.db2.gz KLZJYAFHRPSFFZ-HNNXBMFYSA-N 1 0 324.446 0.736 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c(OC)c1 ZINC001237670223 770073021 /nfs/dbraw/zinc/07/30/21/770073021.db2.gz QWBJZSPVBSKNOO-GOEBONIOSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1c(O)c(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC001182990401 771586327 /nfs/dbraw/zinc/58/63/27/771586327.db2.gz PWWDCBPLVAVTLX-QMTHXVAHSA-N 1 0 312.322 0.627 20 10 DCCDRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160872936 772130145 /nfs/dbraw/zinc/13/01/45/772130145.db2.gz RGTNPLCIMFYNQH-HNNXBMFYSA-N 1 0 319.405 0.911 20 10 DCCDRO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2O)O1 ZINC001203551548 772913507 /nfs/dbraw/zinc/91/35/07/772913507.db2.gz HUZAPUVTTVSTAP-BMFZPTHFSA-N 1 0 320.389 0.887 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)COCC(=O)N3)c1 ZINC001203669529 772918731 /nfs/dbraw/zinc/91/87/31/772918731.db2.gz ALAUNPIZFIAUEI-UHFFFAOYSA-N 1 0 306.362 0.882 20 10 DCCDRO COc1cc(C(=O)N[C@@H](CO)Cc2c[nH]cn2)cc(O)c1O ZINC001193113917 773007621 /nfs/dbraw/zinc/00/76/21/773007621.db2.gz DVPJVCVRTIUXPK-SNVBAGLBSA-N 1 0 307.306 0.163 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246082946 945334850 /nfs/dbraw/zinc/33/48/50/945334850.db2.gz LTRBVJNBBHXJOK-WXHSDQCUSA-N 1 0 308.378 0.912 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2Cc1cccc(F)c1O ZINC001276537545 944201121 /nfs/dbraw/zinc/20/11/21/944201121.db2.gz JMHIUUDCLIIKSS-GASCZTMLSA-N 1 0 323.412 0.978 20 10 DCCDRO O=C(Nc1nnco1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001277192646 944698022 /nfs/dbraw/zinc/69/80/22/944698022.db2.gz RZFXGLACPFKPMK-MEBBXXQBSA-N 1 0 316.317 0.941 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2COC(=O)N2)cc1C ZINC001317237386 944867962 /nfs/dbraw/zinc/86/79/62/944867962.db2.gz YCRVGRVLFZXXEA-WCQYABFASA-N 1 0 321.377 0.706 20 10 DCCDRO Cc1ccc(C[N@H+]2CCn3c(nnc3C(N)=O)C[C@@H]2C)c(O)c1 ZINC001277569456 944882740 /nfs/dbraw/zinc/88/27/40/944882740.db2.gz ZCZLXOHDGVSUTC-NSHDSACASA-N 1 0 315.377 0.838 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001249178429 945624407 /nfs/dbraw/zinc/62/44/07/945624407.db2.gz RDJHHRYALANKRL-INIZCTEOSA-N 1 0 309.362 0.691 20 10 DCCDRO COC(=O)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC001252441596 945929146 /nfs/dbraw/zinc/92/91/46/945929146.db2.gz KEHQITYWGDFCPM-JTQLQIEISA-N 1 0 304.140 0.778 20 10 DCCDRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCc1ccc(N(C)C)cc1 ZINC001263092769 947805515 /nfs/dbraw/zinc/80/55/15/947805515.db2.gz DWUVFOUWMGUKJH-INIZCTEOSA-N 1 0 320.437 0.858 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCN3C)C2)cc1 ZINC001263154495 947814926 /nfs/dbraw/zinc/81/49/26/947814926.db2.gz UWPHCGNSVBCKOS-BBRMVZONSA-N 1 0 318.421 0.294 20 10 DCCDRO CN1C[C@]2(CC[N@H+](Cc3cc(O)c(O)cc3O)C2)OCC1=O ZINC001273842891 948477520 /nfs/dbraw/zinc/47/75/20/948477520.db2.gz JIHAEYCLYJCLCP-HNNXBMFYSA-N 1 0 308.334 0.237 20 10 DCCDRO CN1CCN(c2ccc(CN3CCO[C@H](C[NH3+])C3)cc2F)CC1 ZINC001328400136 948878140 /nfs/dbraw/zinc/87/81/40/948878140.db2.gz BVUUUMQTZDEBCU-OAHLLOKOSA-N 1 0 322.428 0.737 20 10 DCCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329566708 949690854 /nfs/dbraw/zinc/69/08/54/949690854.db2.gz UTJHRQKWZIIATF-CQSZACIVSA-N 1 0 317.389 0.691 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001331102878 950908633 /nfs/dbraw/zinc/90/86/33/950908633.db2.gz AIHGKZDXMMEVHO-OKILXGFUSA-N 1 0 316.405 0.332 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC3)cc2)CC1 ZINC001331828986 951344224 /nfs/dbraw/zinc/34/42/24/951344224.db2.gz QEJZIDAULFIQMO-UHFFFAOYSA-N 1 0 316.405 0.287 20 10 DCCDRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001331852704 951362080 /nfs/dbraw/zinc/36/20/80/951362080.db2.gz OXYNILKFYPKCSR-UHFFFAOYSA-N 1 0 323.393 0.045 20 10 DCCDRO C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C[NH3+] ZINC001332117682 951484991 /nfs/dbraw/zinc/48/49/91/951484991.db2.gz XWHPFGBGCPOYAR-BXUZGUMPSA-N 1 0 317.389 0.820 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](C)[NH2+]1 ZINC001332116390 951485813 /nfs/dbraw/zinc/48/58/13/951485813.db2.gz NFMUOYVVLNTUIC-QWRGUYRKSA-N 1 0 303.362 0.443 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001332135735 951494871 /nfs/dbraw/zinc/49/48/71/951494871.db2.gz KIDPKFCKMRBWFU-ZIAGYGMSSA-N 1 0 317.389 0.704 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC001332343192 951599485 /nfs/dbraw/zinc/59/94/85/951599485.db2.gz YUMQFUYLPQYFLX-HDJSIYSDSA-N 1 0 318.421 0.565 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C[NH3+] ZINC001332894015 951840129 /nfs/dbraw/zinc/84/01/29/951840129.db2.gz OSHYDXBYALAAEN-ZYHUDNBSSA-N 1 0 303.362 0.288 20 10 DCCDRO O=C(NCc1c(O)cccc1F)c1cn(C2CC[NH2+]CC2)nn1 ZINC001341125275 953211911 /nfs/dbraw/zinc/21/19/11/953211911.db2.gz UUGGRYKVZROGKF-UHFFFAOYSA-N 1 0 319.340 0.977 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CO[C@H]2CCOC2)cc1 ZINC001349139268 954612267 /nfs/dbraw/zinc/61/22/67/954612267.db2.gz TVMJXJKYTJFHLP-LSDHHAIUSA-N 1 0 307.394 0.674 20 10 DCCDRO CN1CC[NH2+]C[C@H]1C(=O)NCCCSc1nccs1 ZINC001353342452 956028624 /nfs/dbraw/zinc/02/86/24/956028624.db2.gz UQKYJEWTSRJNNN-JTQLQIEISA-N 1 0 300.453 0.645 20 10 DCCDRO Nc1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC001353493463 956080828 /nfs/dbraw/zinc/08/08/28/956080828.db2.gz YVYMKEWAVMBQKT-CABCVRRESA-N 1 0 304.394 0.931 20 10 DCCDRO NC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C(N)=O ZINC001353562139 956105085 /nfs/dbraw/zinc/10/50/85/956105085.db2.gz UBCOABLBIJOIRV-GASCZTMLSA-N 1 0 316.405 0.305 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CON)cc2F)CC1 ZINC001353591842 956117116 /nfs/dbraw/zinc/11/71/16/956117116.db2.gz WOEZNJLZSBPTFC-UHFFFAOYSA-N 1 0 310.373 0.474 20 10 DCCDRO Nc1ccc(CCNC(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC001357462277 957291463 /nfs/dbraw/zinc/29/14/63/957291463.db2.gz DZPHACLCJQSVOC-UHFFFAOYSA-N 1 0 305.426 0.534 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NCCC[NH+]1CCC(O)CC1 ZINC001293929296 957446520 /nfs/dbraw/zinc/44/65/20/957446520.db2.gz YHWUCRPNFAKBQF-UHFFFAOYSA-N 1 0 308.378 0.603 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1OC ZINC001308983299 960186476 /nfs/dbraw/zinc/18/64/76/960186476.db2.gz MYTKEDTYPATTBP-YPMHNXCESA-N 1 0 311.378 0.832 20 10 DCCDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001469150536 1016315869 /nfs/dbraw/zinc/31/58/69/1016315869.db2.gz KWNSGTLAPNVDEU-RYUDHWBXSA-N 1 0 308.378 0.554 20 10 DCCDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001469150535 1016316204 /nfs/dbraw/zinc/31/62/04/1016316204.db2.gz KWNSGTLAPNVDEU-NWDGAFQWSA-N 1 0 308.378 0.554 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000377524379 529781087 /nfs/dbraw/zinc/78/10/87/529781087.db2.gz MNMFJWWYYBTBMT-AWEZNQCLSA-N 1 0 318.421 0.566 20 10 DCCDRO COC(=O)c1cn(CC[NH2+]Cc2cc(OC)ccc2O)nn1 ZINC000285361625 131161042 /nfs/dbraw/zinc/16/10/42/131161042.db2.gz YZUXHGFGDQMVKR-UHFFFAOYSA-N 1 0 306.322 0.569 20 10 DCCDRO CC(=O)N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000111236481 395803913 /nfs/dbraw/zinc/80/39/13/395803913.db2.gz GZTGBJOOQSYFKS-UHFFFAOYSA-N 1 0 305.378 0.515 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000283377072 396333774 /nfs/dbraw/zinc/33/37/74/396333774.db2.gz GJLPVDXKLVQEDZ-UHFFFAOYSA-N 1 0 306.410 0.389 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000289933743 415738015 /nfs/dbraw/zinc/73/80/15/415738015.db2.gz LBZCHJVRWYBFMG-AWEZNQCLSA-N 1 0 311.357 0.252 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000529380655 417456436 /nfs/dbraw/zinc/45/64/36/417456436.db2.gz PJURUECSPJQNGW-WDEREUQCSA-N 1 0 309.366 0.749 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](CO)C1)cc2=O ZINC000266917050 521580455 /nfs/dbraw/zinc/58/04/55/521580455.db2.gz KVVBVILPTBMLCM-JTQLQIEISA-N 1 0 320.349 0.426 20 10 DCCDRO COC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000317318345 661049767 /nfs/dbraw/zinc/04/97/67/661049767.db2.gz VTJYSGHMHQOGKD-ZDUSSCGKSA-N 1 0 311.357 0.252 20 10 DCCDRO COC(=O)[C@](C)(CO)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000894976585 662040009 /nfs/dbraw/zinc/04/00/09/662040009.db2.gz SVKOWDLVHRZCOZ-KRWDZBQOSA-N 1 0 321.421 0.452 20 10 DCCDRO CN(C)c1ccc(/C=C\C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC000895314283 662165973 /nfs/dbraw/zinc/16/59/73/662165973.db2.gz KWILDSPLTQMFJW-CGXNLCPXSA-N 1 0 316.405 0.284 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897054722 662387142 /nfs/dbraw/zinc/38/71/42/662387142.db2.gz ZXOAMMHFLFZMPU-LLVKDONJSA-N 1 0 314.407 0.820 20 10 DCCDRO O=C(NCCc1ccc(O)c(O)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897069272 662388693 /nfs/dbraw/zinc/38/86/93/662388693.db2.gz UPWCVTHFVRLIPH-CYBMUJFWSA-N 1 0 306.362 0.477 20 10 DCCDRO O=C(NCc1ccc(O)c(O)c1)C1C[NH+](C2CCOCC2)C1 ZINC000901131072 663323519 /nfs/dbraw/zinc/32/35/19/663323519.db2.gz HZAKUMVRSPWIEP-UHFFFAOYSA-N 1 0 306.362 0.825 20 10 DCCDRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ncn1 ZINC000911667891 664097211 /nfs/dbraw/zinc/09/72/11/664097211.db2.gz SWSHHFVCWJEESE-CYBMUJFWSA-N 1 0 315.377 0.981 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](O)C(C)(C)O)cc2)CC1 ZINC000918837995 665184911 /nfs/dbraw/zinc/18/49/11/665184911.db2.gz AJJXFXHWZJOKNW-OAHLLOKOSA-N 1 0 321.421 0.186 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)cc(OC)n1 ZINC001034680511 667103771 /nfs/dbraw/zinc/10/37/71/667103771.db2.gz KNMSLOMCSXYRBN-JOCQHMNTSA-N 1 0 323.393 0.722 20 10 DCCDRO C[NH2+]C[C@@](C)(O)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000866697149 667388160 /nfs/dbraw/zinc/38/81/60/667388160.db2.gz HMJUEFJFPPLGLJ-QGZVFWFLSA-N 1 0 323.437 0.796 20 10 DCCDRO COc1ccc(N2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1F ZINC000923327785 667505394 /nfs/dbraw/zinc/50/53/94/667505394.db2.gz VUMFQGLOMJJRKL-CQDKDKBSSA-N 1 0 309.385 0.807 20 10 DCCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(OC)ccc2O)C1 ZINC000739022759 667690367 /nfs/dbraw/zinc/69/03/67/667690367.db2.gz KXRWYWGQKIVEIC-ZDUSSCGKSA-N 1 0 323.393 0.921 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC000839164846 667734052 /nfs/dbraw/zinc/73/40/52/667734052.db2.gz AJURUEUJIOQISV-BXKDBHETSA-N 1 0 302.168 0.940 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc1Cn1cccn1 ZINC000873131538 667974952 /nfs/dbraw/zinc/97/49/52/667974952.db2.gz VJQQLGHYAFSEPN-IUODEOHRSA-N 1 0 305.378 0.771 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1Cn1cccn1 ZINC000873148809 667975720 /nfs/dbraw/zinc/97/57/20/667975720.db2.gz IAJUYFIEVVSECW-IUODEOHRSA-N 1 0 305.378 0.771 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889758028 667991878 /nfs/dbraw/zinc/99/18/78/667991878.db2.gz WNOBYPUZUJJDNC-OLZOCXBDSA-N 1 0 306.362 0.769 20 10 DCCDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000762569335 668367322 /nfs/dbraw/zinc/36/73/22/668367322.db2.gz RXYZPBHKGDAOPR-QGZVFWFLSA-N 1 0 323.412 0.819 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000763263379 668404103 /nfs/dbraw/zinc/40/41/03/668404103.db2.gz XVAJFYLRSITKOG-MRXNPFEDSA-N 1 0 302.422 0.759 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)c(OC)c1 ZINC000877227206 668578322 /nfs/dbraw/zinc/57/83/22/668578322.db2.gz FDWJDBCEIDNKMI-CYBMUJFWSA-N 1 0 305.378 0.714 20 10 DCCDRO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000770380188 668690425 /nfs/dbraw/zinc/69/04/25/668690425.db2.gz MIXZKOVUDMMHIM-ZDUSSCGKSA-N 1 0 322.384 0.905 20 10 DCCDRO C[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000775262077 668860098 /nfs/dbraw/zinc/86/00/98/668860098.db2.gz XFAMHDZFGLGTNF-NSHDSACASA-N 1 0 306.366 0.369 20 10 DCCDRO C[NH2+]Cc1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094355 669297144 /nfs/dbraw/zinc/29/71/44/669297144.db2.gz ISIRRCULADMQKE-UHFFFAOYSA-N 1 0 302.382 0.380 20 10 DCCDRO CC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881848739 669397777 /nfs/dbraw/zinc/39/77/77/669397777.db2.gz AEDLIWPBNLHMNG-ZDUSSCGKSA-N 1 0 318.421 0.579 20 10 DCCDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000799157247 670045733 /nfs/dbraw/zinc/04/57/33/670045733.db2.gz QZMNWYFISTXLTC-DOMZBBRYSA-N 1 0 317.389 0.979 20 10 DCCDRO COc1c([O-])c(C[N@H+](C[C@@H](O)CO)C(C)C)ccc1[N+](=O)[O-] ZINC000817417963 670920700 /nfs/dbraw/zinc/92/07/00/670920700.db2.gz WEGYXWUUFQIOFW-LLVKDONJSA-N 1 0 314.338 0.873 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC[NH2+]C ZINC000817917331 670952978 /nfs/dbraw/zinc/95/29/78/670952978.db2.gz AZMWJEKMHQHUCV-UHFFFAOYSA-N 1 0 320.437 0.779 20 10 DCCDRO CN(C)c1ccc(CN(C(=O)C(=O)N(C)CC[NH3+])C2CC2)cc1 ZINC000817926482 670953739 /nfs/dbraw/zinc/95/37/39/670953739.db2.gz JXYRMONBWFDUDM-UHFFFAOYSA-N 1 0 318.421 0.661 20 10 DCCDRO CN1CCOC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858276083 670986878 /nfs/dbraw/zinc/98/68/78/670986878.db2.gz JFMJSOUOIADNFK-QGZVFWFLSA-N 1 0 305.422 0.943 20 10 DCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858292745 670988894 /nfs/dbraw/zinc/98/88/94/670988894.db2.gz MKXHLYZTHAHJFC-UHFFFAOYSA-N 1 0 324.333 0.280 20 10 DCCDRO COCC[NH2+]CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851640356 671002672 /nfs/dbraw/zinc/00/26/72/671002672.db2.gz UTMPKJXZDRTQOP-ZDUSSCGKSA-N 1 0 307.394 0.626 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000851685776 671013797 /nfs/dbraw/zinc/01/37/97/671013797.db2.gz GJWXPIVRKSBDLJ-VXGBXAGGSA-N 1 0 306.410 0.654 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNc3nc(N)[nH+]c(N)n3)C2)cc1 ZINC000858582708 671018357 /nfs/dbraw/zinc/01/83/57/671018357.db2.gz SHCOORIYCJLXLI-JTQLQIEISA-N 1 0 315.381 0.983 20 10 DCCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818967304 671081051 /nfs/dbraw/zinc/08/10/51/671081051.db2.gz SMXQTJKUYCHTAL-UHFFFAOYSA-N 1 0 324.356 0.337 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CN2CCOCC2)cc1F ZINC000818984564 671083645 /nfs/dbraw/zinc/08/36/45/671083645.db2.gz CHFJVNWPGWPGIA-AWEZNQCLSA-N 1 0 311.401 0.674 20 10 DCCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469104 671528639 /nfs/dbraw/zinc/52/86/39/671528639.db2.gz MHIDKSTYDOWVDA-TZMCWYRMSA-N 1 0 318.421 0.599 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccnn2C)cc1 ZINC000832283730 671713129 /nfs/dbraw/zinc/71/31/29/671713129.db2.gz APOWZBUMEFDCCD-OAHLLOKOSA-N 1 0 301.394 0.845 20 10 DCCDRO CCS(=O)(=O)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279865 671713213 /nfs/dbraw/zinc/71/32/13/671713213.db2.gz MBTQNIJFDPNANL-ZDUSSCGKSA-N 1 0 313.423 0.303 20 10 DCCDRO COCCOCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280179 671713226 /nfs/dbraw/zinc/71/32/26/671713226.db2.gz NTSAJVKUQWPCEP-OAHLLOKOSA-N 1 0 309.410 0.922 20 10 DCCDRO CCOCCOCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278065 671713233 /nfs/dbraw/zinc/71/32/33/671713233.db2.gz AADFOMVXSMKFPV-HNNXBMFYSA-N 1 0 309.410 0.922 20 10 DCCDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c(F)ccc(O)c1O ZINC000833560005 671748468 /nfs/dbraw/zinc/74/84/68/671748468.db2.gz YNOMWEIAYZTZHK-SNVBAGLBSA-N 1 0 312.341 0.814 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000841892843 671963845 /nfs/dbraw/zinc/96/38/45/671963845.db2.gz YJVJXJYMCNBZGW-ZDUSSCGKSA-N 1 0 306.362 0.954 20 10 DCCDRO Nc1ccc(CCNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000841955422 671969264 /nfs/dbraw/zinc/96/92/64/671969264.db2.gz BOEVSQUHUJNNLF-MRXNPFEDSA-N 1 0 320.437 0.957 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000842035275 671977586 /nfs/dbraw/zinc/97/75/86/671977586.db2.gz DUDHAJSPECDZQY-WFASDCNBSA-N 1 0 318.421 0.565 20 10 DCCDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036170 671978161 /nfs/dbraw/zinc/97/81/61/671978161.db2.gz KUTOPGVKPSFXHF-JSGCOSHPSA-N 1 0 318.421 0.565 20 10 DCCDRO C[NH2+]CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000842094506 671982086 /nfs/dbraw/zinc/98/20/86/671982086.db2.gz YJJTVNBZQVFRQD-UHFFFAOYSA-N 1 0 302.425 0.077 20 10 DCCDRO C[C@H](C[NH3+])NC(=O)C(=O)NCCCSc1nccs1 ZINC000842091136 671982262 /nfs/dbraw/zinc/98/22/62/671982262.db2.gz AWCWBOBNVWWMQN-MRVPVSSYSA-N 1 0 302.425 0.205 20 10 DCCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000842148320 671985863 /nfs/dbraw/zinc/98/58/63/671985863.db2.gz MDVXHWZLWAAMBW-LBPRGKRZSA-N 1 0 322.384 0.328 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000842151449 671986212 /nfs/dbraw/zinc/98/62/12/671986212.db2.gz BGQFHCZJZAJACG-CYBMUJFWSA-N 1 0 318.421 0.498 20 10 DCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842214345 671995870 /nfs/dbraw/zinc/99/58/70/671995870.db2.gz PQFISLFKKMZZBL-CYBMUJFWSA-N 1 0 318.421 0.709 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000842227138 671997247 /nfs/dbraw/zinc/99/72/47/671997247.db2.gz ZJAVOQWYGTYNDE-AWEZNQCLSA-N 1 0 319.405 0.984 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC(=O)NC2)cc1 ZINC000843299705 672080426 /nfs/dbraw/zinc/08/04/26/672080426.db2.gz WAXZRGVFVRLDGH-TZMCWYRMSA-N 1 0 304.394 0.395 20 10 DCCDRO CNC(=O)CCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299121 672080539 /nfs/dbraw/zinc/08/05/39/672080539.db2.gz SDWRKCQHPNPURG-AWEZNQCLSA-N 1 0 306.410 0.785 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CCCO[C@H](C[NH3+])C2)cc1 ZINC000844226861 672166565 /nfs/dbraw/zinc/16/65/65/672166565.db2.gz QYZYQHBMVGTKCN-MRXNPFEDSA-N 1 0 320.437 0.418 20 10 DCCDRO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000285712675 685203032 /nfs/dbraw/zinc/20/30/32/685203032.db2.gz DFQCZCBCUMBBRI-OAHLLOKOSA-N 1 0 319.405 0.518 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ns[nH]c2=O)cc1 ZINC001578424238 1165010148 /nfs/dbraw/zinc/01/01/48/1165010148.db2.gz BEAPKNIIVIRKFR-JTQLQIEISA-N 1 0 307.379 0.740 20 10 DCCDRO CNC(=O)[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc2O1 ZINC001578549746 1165056260 /nfs/dbraw/zinc/05/62/60/1165056260.db2.gz ZEJWAGUCOPOKPW-RISCZKNCSA-N 1 0 301.346 0.574 20 10 DCCDRO COc1ccc(CNC(=O)NC[C@@]2(C)C[NH2+]CCO2)c(O)c1 ZINC001579215723 1165241026 /nfs/dbraw/zinc/24/10/26/1165241026.db2.gz CPYFMBURCWYOIU-OAHLLOKOSA-N 1 0 309.366 0.579 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2OCC[C@H]2[NH3+])cc1 ZINC001579224577 1165242471 /nfs/dbraw/zinc/24/24/71/1165242471.db2.gz QJYUYDXODNLRIP-CABCVRRESA-N 1 0 307.394 0.706 20 10 DCCDRO [NH3+]Cc1cn(C2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)nn1 ZINC001580352003 1165579835 /nfs/dbraw/zinc/57/98/35/1165579835.db2.gz QQHJHJHNADUOJM-RQOWECAXSA-N 1 0 315.333 0.245 20 10 DCCDRO COC1CC[NH+](CCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001587278503 1166506562 /nfs/dbraw/zinc/50/65/62/1166506562.db2.gz VPQLKFZASWXMPU-UHFFFAOYSA-N 1 0 308.378 0.867 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3C(=O)[O-])cc2)CC1 ZINC001606245601 1170135972 /nfs/dbraw/zinc/13/59/72/1170135972.db2.gz RJMGQPMDLHLLJB-CVEARBPZSA-N 1 0 319.405 0.458 20 10 DCCDRO CC[NH+]1CCN(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001627188876 1171499651 /nfs/dbraw/zinc/49/96/51/1171499651.db2.gz RPVWXSPQXQAWGH-UHFFFAOYSA-N 1 0 307.394 0.394 20 10 DCCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001662465799 1174212070 /nfs/dbraw/zinc/21/20/70/1174212070.db2.gz JHCOKQAJLWYCLJ-QDLOVBKTSA-N 1 0 324.446 0.905 20 10 DCCDRO CC(C)c1ccc(O)c(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 ZINC001665358696 1174509687 /nfs/dbraw/zinc/50/96/87/1174509687.db2.gz CKBWZHWGQRPIDF-STQMWFEESA-N 1 0 305.378 0.534 20 10 DCCDRO CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699073511 1177825580 /nfs/dbraw/zinc/82/55/80/1177825580.db2.gz TXICWVUZPASWEP-LBPRGKRZSA-N 1 0 307.354 0.939 20 10 DCCDRO C[C@@H](O)C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001713668696 1181008420 /nfs/dbraw/zinc/00/84/20/1181008420.db2.gz SJABZHWYIPMGCQ-SNVBAGLBSA-N 1 0 307.354 0.891 20 10 DCCDRO Cc1ccc(C)c(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)c1O ZINC001140182716 747088140 /nfs/dbraw/zinc/08/81/40/747088140.db2.gz XXUFPTCEGOVGTN-UHFFFAOYSA-N 1 0 303.406 0.967 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CN2CN=NC2=O)cc1C ZINC001126026944 748188955 /nfs/dbraw/zinc/18/89/55/748188955.db2.gz KGSHYVJQQLWAMI-UHFFFAOYSA-N 1 0 319.365 0.207 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2COC(=O)N2)cc1C ZINC001126554778 749087549 /nfs/dbraw/zinc/08/75/49/749087549.db2.gz SCVMEXPSYVFCMJ-GFCCVEGCSA-N 1 0 307.350 0.318 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2cn(C)nn2)cc1C ZINC001126655023 749533965 /nfs/dbraw/zinc/53/39/65/749533965.db2.gz WQPQSFVFGCDQRB-UHFFFAOYSA-N 1 0 303.366 0.652 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001118511367 766340082 /nfs/dbraw/zinc/34/00/82/766340082.db2.gz URUCHNPMJQMVDR-UHFFFAOYSA-N 1 0 303.362 0.300 20 10 DCCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001144850173 767065787 /nfs/dbraw/zinc/06/57/87/767065787.db2.gz PFVYKRMDNDLQDI-NOZJJQNGSA-N 1 0 313.448 0.257 20 10 DCCDRO COc1cc(CN2CCN(C)C(=O)C2)cc(C[NH+](C)C)c1O ZINC001139252893 768463230 /nfs/dbraw/zinc/46/32/30/768463230.db2.gz DMWBEULEPNKWIL-UHFFFAOYSA-N 1 0 307.394 0.736 20 10 DCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@@H]1O ZINC001140660113 768538247 /nfs/dbraw/zinc/53/82/47/768538247.db2.gz GIGYQFDKOYFHAX-YOEHRIQHSA-N 1 0 324.396 0.837 20 10 DCCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231639746 769271052 /nfs/dbraw/zinc/27/10/52/769271052.db2.gz INHUPVZYLSMETG-GFCCVEGCSA-N 1 0 324.377 0.833 20 10 DCCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(O)cc2O)CCCO1 ZINC001231638890 769271474 /nfs/dbraw/zinc/27/14/74/769271474.db2.gz IINMYEDWFFMTKA-AWEZNQCLSA-N 1 0 311.334 0.870 20 10 DCCDRO NC(=O)[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760328 769444293 /nfs/dbraw/zinc/44/42/93/769444293.db2.gz FENDEVIMMNFAOW-SNVBAGLBSA-N 1 0 320.267 0.977 20 10 DCCDRO c1cc(N2CCOCC2)ccc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052060 769752666 /nfs/dbraw/zinc/75/26/66/769752666.db2.gz CTICZCLXOCCTEH-SFHVURJKSA-N 1 0 316.449 0.661 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)c(O)cc1O ZINC001236056364 769975800 /nfs/dbraw/zinc/97/58/00/769975800.db2.gz DSCPQVGOVYMAIC-JTQLQIEISA-N 1 0 300.742 0.698 20 10 DCCDRO C[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1COC1 ZINC001237211918 770034453 /nfs/dbraw/zinc/03/44/53/770034453.db2.gz JRMAZCGNOXIHHZ-UHFFFAOYSA-N 1 0 324.446 1.000 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)Cn2ncnn2)cc1C ZINC001158169930 771733707 /nfs/dbraw/zinc/73/37/07/771733707.db2.gz HWISZPBPKGHYLH-UHFFFAOYSA-N 1 0 318.381 0.286 20 10 DCCDRO COc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c(O)c1 ZINC001203629294 771967648 /nfs/dbraw/zinc/96/76/48/771967648.db2.gz VWJWGJGJCDDHRP-UHFFFAOYSA-N 1 0 306.362 0.882 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CNC(=O)N2)cc1C ZINC001165475924 772741663 /nfs/dbraw/zinc/74/16/63/772741663.db2.gz UYBNSWSSVDYMAW-CYBMUJFWSA-N 1 0 320.393 0.281 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2cc(O)c(Br)cc2O)C[C@H]1O ZINC001205370071 772989168 /nfs/dbraw/zinc/98/91/68/772989168.db2.gz MEMGUFCOPYAULB-LDYMZIIASA-N 1 0 303.156 0.364 20 10 DCCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001205959733 773036376 /nfs/dbraw/zinc/03/63/76/773036376.db2.gz URYNFAMEJTUHQP-HZPDHXFCSA-N 1 0 309.385 0.556 20 10 DCCDRO COC(=O)c1c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c2ccccc2n1C ZINC001205967759 773037230 /nfs/dbraw/zinc/03/72/30/773037230.db2.gz XDEJXOOKDFSQPR-UKRRQHHQSA-N 1 0 317.389 0.859 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1O ZINC001206464698 773078956 /nfs/dbraw/zinc/07/89/56/773078956.db2.gz SCVLMFIZJQVAGV-JOYOIKCWSA-N 1 0 301.184 0.906 20 10 DCCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)Cc1ccc(O)c(O)c1 ZINC001272971743 945161690 /nfs/dbraw/zinc/16/16/90/945161690.db2.gz MDADKTQIHQMDHK-SLEUVZQESA-N 1 0 306.362 0.306 20 10 DCCDRO C[NH+](C)CCN1CCC12CN(C(=O)c1cccc(O)c1O)C2 ZINC001269608109 940741131 /nfs/dbraw/zinc/74/11/31/940741131.db2.gz UFBCNERFKICGIE-UHFFFAOYSA-N 1 0 305.378 0.560 20 10 DCCDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001270580326 940930131 /nfs/dbraw/zinc/93/01/31/940930131.db2.gz OHWNPCDVLJIRNO-UHFFFAOYSA-N 1 0 319.405 0.346 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2nnn(C)n2)cc1C ZINC001317261670 944886105 /nfs/dbraw/zinc/88/61/05/944886105.db2.gz MJAIQDPZZRRFGD-NSHDSACASA-N 1 0 318.381 0.435 20 10 DCCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H](O)CN1CCOCC1)CCC2 ZINC001251022210 945709220 /nfs/dbraw/zinc/70/92/20/945709220.db2.gz XQWZXHKDCMBZLI-OAHLLOKOSA-N 1 0 322.405 0.539 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@]3(CO)CCOC3)cc2F)CC1 ZINC001321034523 946133290 /nfs/dbraw/zinc/13/32/90/946133290.db2.gz ATEVKJVSGVNHKR-KRWDZBQOSA-N 1 0 323.412 0.819 20 10 DCCDRO COc1cc(C)cc(C[N@H+](C)CCNS(C)(=O)=O)c1O ZINC001253613091 946142067 /nfs/dbraw/zinc/14/20/67/946142067.db2.gz YAGABSBCAASCQS-UHFFFAOYSA-N 1 0 302.396 0.690 20 10 DCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001262035076 947537304 /nfs/dbraw/zinc/53/73/04/947537304.db2.gz XMHUMIMQBZBDFY-LBPRGKRZSA-N 1 0 306.410 0.565 20 10 DCCDRO C[NH2+][C@H](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001325713748 947891488 /nfs/dbraw/zinc/89/14/88/947891488.db2.gz UCGMLWWLKDJORQ-LLVKDONJSA-N 1 0 324.400 0.622 20 10 DCCDRO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001273842432 948459041 /nfs/dbraw/zinc/45/90/41/948459041.db2.gz DIZALPVAGULPKP-INIZCTEOSA-N 1 0 322.361 0.484 20 10 DCCDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329505612 949646410 /nfs/dbraw/zinc/64/64/10/949646410.db2.gz YTYLYFQYNNLRSN-UHFFFAOYSA-N 1 0 305.378 0.678 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cc(O)cc1O ZINC001275112810 951961858 /nfs/dbraw/zinc/96/18/58/951961858.db2.gz SBJKDMRMRVJBON-PHIMTYICSA-N 1 0 321.377 0.150 20 10 DCCDRO CN(C)C(=O)CN1C[C@@H]2CC[N@H+](Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001275418603 952134751 /nfs/dbraw/zinc/13/47/51/952134751.db2.gz HUFWOSKMXWECQN-SWLSCSKDSA-N 1 0 319.405 0.692 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333942738 952203929 /nfs/dbraw/zinc/20/39/29/952203929.db2.gz HKEXZXPRBOQEAC-MQMHXKEQSA-N 1 0 318.421 0.531 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1C[NH3+] ZINC001334387921 952303822 /nfs/dbraw/zinc/30/38/22/952303822.db2.gz TWQNXVMBRXXFER-DGCLKSJQSA-N 1 0 305.378 0.404 20 10 DCCDRO O=C(C(=O)N1CCC[C@@]12CC[NH2+]C2)N1Cc2cccc(O)c2C1 ZINC001335303174 952516012 /nfs/dbraw/zinc/51/60/12/952516012.db2.gz GBFZJBGBQGTOGL-KRWDZBQOSA-N 1 0 315.373 0.589 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001335691157 952583201 /nfs/dbraw/zinc/58/32/01/952583201.db2.gz JYVRAQCZVFHEAY-BETUJISGSA-N 1 0 303.362 0.313 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CNCC[NH3+])CC2)cc1F ZINC001340114204 953146398 /nfs/dbraw/zinc/14/63/98/953146398.db2.gz WHDRXQGKGCYZJQ-UHFFFAOYSA-N 1 0 310.373 0.031 20 10 DCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001340893166 953201790 /nfs/dbraw/zinc/20/17/90/953201790.db2.gz GYMKAQZCHGICHK-RISCZKNCSA-N 1 0 307.394 0.694 20 10 DCCDRO Nc1ccc(CC(=O)N2CCc3[nH]cnc3[C@@]23CC[NH2+]C3)cc1 ZINC001341144331 953212333 /nfs/dbraw/zinc/21/23/33/953212333.db2.gz KSDFEYVAHDVHFQ-KRWDZBQOSA-N 1 0 311.389 0.808 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341363741 953225630 /nfs/dbraw/zinc/22/56/30/953225630.db2.gz ZQJBVKRYQDBPEQ-GFCCVEGCSA-N 1 0 303.362 0.171 20 10 DCCDRO CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001341570658 953238115 /nfs/dbraw/zinc/23/81/15/953238115.db2.gz ICEQDIFQHDMZEQ-INIZCTEOSA-N 1 0 302.422 0.807 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[NH2+]CCN3C)ccc21 ZINC001341678294 953244701 /nfs/dbraw/zinc/24/47/01/953244701.db2.gz WRQCERPZZNHWTR-INIZCTEOSA-N 1 0 302.422 0.589 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2COC(=O)C2)cc1 ZINC001345810675 953739022 /nfs/dbraw/zinc/73/90/22/953739022.db2.gz FBKNERAJEBHBHV-RISCZKNCSA-N 1 0 305.378 0.822 20 10 DCCDRO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC001346049464 953793432 /nfs/dbraw/zinc/79/34/32/953793432.db2.gz ZYJZSDTULFMHKN-ZDUSSCGKSA-N 1 0 317.389 0.883 20 10 DCCDRO CCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CC[N@H+](C)C1 ZINC001347004287 954000307 /nfs/dbraw/zinc/00/03/07/954000307.db2.gz OVMHHSBYDDCESE-CQSZACIVSA-N 1 0 319.405 0.903 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O ZINC001350299768 955051601 /nfs/dbraw/zinc/05/16/01/955051601.db2.gz IPSMWJZOGKHJRU-GFCCVEGCSA-N 1 0 321.377 0.124 20 10 DCCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1C[N@H+](C)CCN1C ZINC001351612633 955356471 /nfs/dbraw/zinc/35/64/71/955356471.db2.gz LQPGPTZFTDODSY-JSGCOSHPSA-N 1 0 306.410 0.826 20 10 DCCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001353170496 955955636 /nfs/dbraw/zinc/95/56/36/955955636.db2.gz FUBWWWDPFUWQFN-LBPRGKRZSA-N 1 0 318.421 0.612 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001353354653 956032398 /nfs/dbraw/zinc/03/23/98/956032398.db2.gz QUUJEVAVJZXNMK-UHFFFAOYSA-N 1 0 319.453 0.765 20 10 DCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c(C)cc(OC)cc1O ZINC001308891982 960185626 /nfs/dbraw/zinc/18/56/26/960185626.db2.gz GKHXMTMJNOCQMX-QWRGUYRKSA-N 1 0 324.377 0.865 20 10 DCCDRO NC(=O)[C@@H]1C[NH+](Cc2ccc3ccccc3c2O)C[C@H]1C(N)=O ZINC001308883848 960185811 /nfs/dbraw/zinc/18/58/11/960185811.db2.gz WGRUKVWZAAYLQX-ZIAGYGMSSA-N 1 0 313.357 0.564 20 10 DCCDRO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccccc2O)CC1 ZINC001598617026 993904091 /nfs/dbraw/zinc/90/40/91/993904091.db2.gz NBAGTJNALFZCGE-UHFFFAOYSA-N 1 0 307.394 0.526 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)c1 ZINC001521265480 1017342779 /nfs/dbraw/zinc/34/27/79/1017342779.db2.gz DISLFRUACSUKEX-SLEUVZQESA-N 1 0 319.405 0.966 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCF)cc1 ZINC001497122368 1017895311 /nfs/dbraw/zinc/89/53/11/1017895311.db2.gz RUZKJECFTGHLLL-NSHDSACASA-N 1 0 311.317 0.499 20 10 DCCDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)N1CC[NH+](C)CC1 ZINC000276536808 238323374 /nfs/dbraw/zinc/32/33/74/238323374.db2.gz FRNGONUENDMVSD-SNVBAGLBSA-N 1 0 311.357 0.603 20 10 DCCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272386741 130025515 /nfs/dbraw/zinc/02/55/15/130025515.db2.gz GGVQTSQBYIGDMZ-BPJJOFIESA-N 1 0 305.378 0.473 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H](C[NH3+])OC)CC2)cc1F ZINC000290267099 415782597 /nfs/dbraw/zinc/78/25/97/415782597.db2.gz YBRJXVHZFISOBL-CQSZACIVSA-N 1 0 311.357 0.457 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000188114014 534002621 /nfs/dbraw/zinc/00/26/21/534002621.db2.gz RQTDIPFJILSXAK-MRXNPFEDSA-N 1 0 319.405 0.722 20 10 DCCDRO CN(CC[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000267084523 524060134 /nfs/dbraw/zinc/06/01/34/524060134.db2.gz HGSMUQNUUGRGSD-UHFFFAOYSA-N 1 0 315.395 0.397 20 10 DCCDRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000925789991 661071053 /nfs/dbraw/zinc/07/10/53/661071053.db2.gz ZPANPZBCAQNBGH-OLZOCXBDSA-N 1 0 310.419 0.746 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+][C@H]2C[C@@H](NC(C)=O)C2)cc1 ZINC001021748861 658327667 /nfs/dbraw/zinc/32/76/67/658327667.db2.gz XMDAILRMUABFEM-TXEJJXNPSA-N 1 0 316.365 0.428 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(CO)COCCN1C ZINC000896463061 662273785 /nfs/dbraw/zinc/27/37/85/662273785.db2.gz YLKQYVZIULJNSW-KRWDZBQOSA-N 1 0 307.438 0.844 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1F ZINC000900434835 663243855 /nfs/dbraw/zinc/24/38/55/663243855.db2.gz SPIKEWIBDBGZJG-WBMJQRKESA-N 1 0 309.385 0.963 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c1 ZINC000903969482 663499574 /nfs/dbraw/zinc/49/95/74/663499574.db2.gz YXZSCYKDIWMHHI-CYBMUJFWSA-N 1 0 314.407 0.267 20 10 DCCDRO COc1ccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c(O)c1 ZINC000907926375 663724340 /nfs/dbraw/zinc/72/43/40/663724340.db2.gz OGWKEDYSFHAVFQ-MRXNPFEDSA-N 1 0 308.378 0.864 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCC(=O)N2C)cc1 ZINC000911667929 664097071 /nfs/dbraw/zinc/09/70/71/664097071.db2.gz UJSPQBNILGRXQD-GJZGRUSLSA-N 1 0 318.421 0.880 20 10 DCCDRO Nc1ccc(CCNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000911783055 664108479 /nfs/dbraw/zinc/10/84/79/664108479.db2.gz PHLUEKLHBGVEJP-MRXNPFEDSA-N 1 0 302.378 0.826 20 10 DCCDRO OCC[NH+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154562477 665149271 /nfs/dbraw/zinc/14/92/71/665149271.db2.gz ODQBEVDEIWRJKI-UHFFFAOYSA-N 1 0 323.412 0.772 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000179692435 665394881 /nfs/dbraw/zinc/39/48/81/665394881.db2.gz FKHXXZWKVXUCIG-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1cccc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c1O ZINC000922616863 666496014 /nfs/dbraw/zinc/49/60/14/666496014.db2.gz VGMROTXFCQGHIP-CQSZACIVSA-N 1 0 315.391 0.694 20 10 DCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863751113 667174697 /nfs/dbraw/zinc/17/46/97/667174697.db2.gz FSBJRDQXHZAZFM-LBPRGKRZSA-N 1 0 306.410 0.517 20 10 DCCDRO COc1ccc(N2CCN(CCOCC[NH3+])CC2)c(OC)c1 ZINC000866697147 667388060 /nfs/dbraw/zinc/38/80/60/667388060.db2.gz HKSICUKKDPYLQZ-UHFFFAOYSA-N 1 0 309.410 0.801 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1F ZINC000884519695 667559582 /nfs/dbraw/zinc/55/95/82/667559582.db2.gz AFHRGQARZKAEPX-RYUDHWBXSA-N 1 0 320.368 0.081 20 10 DCCDRO CCN(CCO)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669193 667981687 /nfs/dbraw/zinc/98/16/87/667981687.db2.gz AXKMEFCWCKSQQU-UHFFFAOYSA-N 1 0 320.437 0.962 20 10 DCCDRO OCC[N@H+](CCN1CCOCC1)Cc1cc2c(cc1O)OCO2 ZINC000768926050 668628071 /nfs/dbraw/zinc/62/80/71/668628071.db2.gz LFXZTHLHYLDPNE-UHFFFAOYSA-N 1 0 324.377 0.247 20 10 DCCDRO Cc1cccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c1O ZINC000877732298 668643847 /nfs/dbraw/zinc/64/38/47/668643847.db2.gz JBXBRHJBFXJBFY-INIZCTEOSA-N 1 0 306.362 0.418 20 10 DCCDRO C[N@H+](CCn1cnnn1)Cc1ccc(N2CCOCC2)cc1 ZINC000877922358 668659955 /nfs/dbraw/zinc/65/99/55/668659955.db2.gz CPWQCWZDDQFHOL-UHFFFAOYSA-N 1 0 302.382 0.642 20 10 DCCDRO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000775262076 668860069 /nfs/dbraw/zinc/86/00/69/668860069.db2.gz XFAMHDZFGLGTNF-LLVKDONJSA-N 1 0 306.366 0.369 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](CO)C3)cc2)CC1 ZINC000775689263 668866573 /nfs/dbraw/zinc/86/65/73/668866573.db2.gz BERIXEDBFLUSLR-KRWDZBQOSA-N 1 0 305.422 0.632 20 10 DCCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](n3cncn3)C1)[C@H](O)CO2 ZINC000776777859 668881118 /nfs/dbraw/zinc/88/11/18/668881118.db2.gz RQSKMQLHUHMZIZ-SMDDNHRTSA-N 1 0 302.334 0.857 20 10 DCCDRO COCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883031917 669642835 /nfs/dbraw/zinc/64/28/35/669642835.db2.gz PRXONOORAGYVKK-UHFFFAOYSA-N 1 0 306.410 0.884 20 10 DCCDRO C[NH+](C)CCn1ccc(C(=O)NCCc2ccc(O)c(O)c2)n1 ZINC000847588829 670579494 /nfs/dbraw/zinc/57/94/94/670579494.db2.gz CGFTVCXMSCNKJR-UHFFFAOYSA-N 1 0 318.377 0.828 20 10 DCCDRO CCOc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c1O ZINC000850361212 670909888 /nfs/dbraw/zinc/90/98/88/670909888.db2.gz OVCZLBYQEBRNOH-DGCLKSJQSA-N 1 0 315.391 0.693 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000817917310 670952933 /nfs/dbraw/zinc/95/29/33/670952933.db2.gz AXAGGERRFFGHPH-ZDUSSCGKSA-N 1 0 304.394 0.271 20 10 DCCDRO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858276082 670986867 /nfs/dbraw/zinc/98/68/67/670986867.db2.gz JFMJSOUOIADNFK-KRWDZBQOSA-N 1 0 305.422 0.943 20 10 DCCDRO COc1ccc(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)cc1F ZINC000858441407 671004703 /nfs/dbraw/zinc/00/47/03/671004703.db2.gz RGUOKHMPYXFDHB-UHFFFAOYSA-N 1 0 319.344 0.510 20 10 DCCDRO O=C(NCc1ccccc1O)c1cnnn1C1CC[NH2+]CC1 ZINC000852800126 671161935 /nfs/dbraw/zinc/16/19/35/671161935.db2.gz ZHGIPLMQPTZQOK-UHFFFAOYSA-N 1 0 301.350 0.838 20 10 DCCDRO NS(=O)(=O)c1ccc2c(c1)N(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC000852841317 671171969 /nfs/dbraw/zinc/17/19/69/671171969.db2.gz YTKBDIXDAFITCF-UHFFFAOYSA-N 1 0 321.402 0.533 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)C3(O)C[NH2+]C3)CC2)cc1 ZINC000852861835 671177575 /nfs/dbraw/zinc/17/75/75/671177575.db2.gz KVGXKJPOWUPGAS-UHFFFAOYSA-N 1 0 305.378 0.068 20 10 DCCDRO OCC1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000827146041 671516265 /nfs/dbraw/zinc/51/62/65/671516265.db2.gz BMNKQXQLJCLPGS-UHFFFAOYSA-N 1 0 306.406 0.842 20 10 DCCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC[NH3+])cc2)C1 ZINC000827468881 671528707 /nfs/dbraw/zinc/52/87/07/671528707.db2.gz GHLPGKLYKKVBLX-AWEZNQCLSA-N 1 0 318.421 0.743 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CC[NH3+])cc2)CC1 ZINC000832172824 671706873 /nfs/dbraw/zinc/70/68/73/671706873.db2.gz KTTUMFCDBQZRJB-UHFFFAOYSA-N 1 0 304.394 0.320 20 10 DCCDRO Nc1ccc(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000832658827 671730257 /nfs/dbraw/zinc/73/02/57/671730257.db2.gz CYROCMOHAAMBSV-AWEZNQCLSA-N 1 0 304.394 0.186 20 10 DCCDRO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000840956712 671908072 /nfs/dbraw/zinc/90/80/72/671908072.db2.gz CRBBUFZCORCFGT-ZDUSSCGKSA-N 1 0 308.378 0.937 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[NH2+]CC1 ZINC000841711819 671951387 /nfs/dbraw/zinc/95/13/87/671951387.db2.gz HNFNVVWFAKSJRC-UHFFFAOYSA-N 1 0 322.384 0.777 20 10 DCCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)ccc21 ZINC000841759474 671953135 /nfs/dbraw/zinc/95/31/35/671953135.db2.gz OGFCORGIOBPSJQ-HNNXBMFYSA-N 1 0 318.421 0.857 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000841892644 671963722 /nfs/dbraw/zinc/96/37/22/671963722.db2.gz POLNLPGMVKTRES-LBPRGKRZSA-N 1 0 322.361 0.654 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000842036600 671978204 /nfs/dbraw/zinc/97/82/04/671978204.db2.gz PDVNQHINNZQKMC-ZDUSSCGKSA-N 1 0 304.394 0.237 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000842093355 671981921 /nfs/dbraw/zinc/98/19/21/671981921.db2.gz QYMZXCYYCLWRDC-UHFFFAOYSA-N 1 0 316.452 0.467 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150673 671986560 /nfs/dbraw/zinc/98/65/60/671986560.db2.gz UTDXOBVVKJUWJD-UHFFFAOYSA-N 1 0 318.421 0.411 20 10 DCCDRO CC[NH2+]CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842153548 671986564 /nfs/dbraw/zinc/98/65/64/671986564.db2.gz MUXOIRZKVFUKKM-UHFFFAOYSA-N 1 0 320.437 0.793 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000842153622 671986956 /nfs/dbraw/zinc/98/69/56/671986956.db2.gz OQDRKWJCGFGBMQ-UHFFFAOYSA-N 1 0 318.421 0.675 20 10 DCCDRO CC(C)([NH3+])CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170066 671988867 /nfs/dbraw/zinc/98/88/67/671988867.db2.gz ACFQHNARTWSZQO-UHFFFAOYSA-N 1 0 316.405 0.533 20 10 DCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203477 671993959 /nfs/dbraw/zinc/99/39/59/671993959.db2.gz SAHONMXEEGPAAK-NEPJUHHUSA-N 1 0 306.410 0.735 20 10 DCCDRO CC(C)([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842212622 671995944 /nfs/dbraw/zinc/99/59/44/671995944.db2.gz HXXIMFHMUSOGIW-UHFFFAOYSA-N 1 0 318.421 0.757 20 10 DCCDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238580 671999374 /nfs/dbraw/zinc/99/93/74/671999374.db2.gz TUQOPYCSKXFWAU-UHFFFAOYSA-N 1 0 318.421 0.482 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000842256586 672000667 /nfs/dbraw/zinc/00/06/67/672000667.db2.gz FIZSNXTUKXEZGZ-UHFFFAOYSA-N 1 0 320.437 0.955 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000842257191 672000696 /nfs/dbraw/zinc/00/06/96/672000696.db2.gz PRKZKTQENXPSOY-OAHLLOKOSA-N 1 0 318.421 0.565 20 10 DCCDRO COc1cc(O)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000843124653 672064681 /nfs/dbraw/zinc/06/46/81/672064681.db2.gz IKRUYZLPCCHEQL-CQSZACIVSA-N 1 0 321.421 0.889 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC(=O)N(C)C2)cc1 ZINC000843299082 672080435 /nfs/dbraw/zinc/08/04/35/672080435.db2.gz QZDYQTKKRITYLN-TZMCWYRMSA-N 1 0 304.394 0.347 20 10 DCCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc2c(cc1O)OCO2 ZINC000843428498 672094584 /nfs/dbraw/zinc/09/45/84/672094584.db2.gz JSDPCFDLWOLFBA-NSHDSACASA-N 1 0 321.377 0.673 20 10 DCCDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(O)cc1O ZINC000867417025 672310865 /nfs/dbraw/zinc/31/08/65/672310865.db2.gz LFZJMIYHUNUDLO-UHFFFAOYSA-N 1 0 302.396 0.859 20 10 DCCDRO COC[C@H]1C(=O)N[C@H](c2ccc(N3CC[NH+](C)CC3)cc2)N1C ZINC000840834064 685363458 /nfs/dbraw/zinc/36/34/58/685363458.db2.gz UULMGZRBXNKEKH-HOTGVXAUSA-N 1 0 318.421 0.514 20 10 DCCDRO COc1cc(C[N@H+](C)CC(=O)N2CCOCC2)c(O)cc1C ZINC000160170862 685138288 /nfs/dbraw/zinc/13/82/88/685138288.db2.gz JTYGXILRROBSAN-UHFFFAOYSA-N 1 0 308.378 1.000 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)CC(N)=O)C2CC2)cc1C ZINC001569297514 1161004130 /nfs/dbraw/zinc/00/41/30/1161004130.db2.gz MAPVPDYVBKLFHT-AWEZNQCLSA-N 1 0 319.405 0.863 20 10 DCCDRO C[C@@H](NC(=O)CC1([NH3+])COC1)c1ccc(N2CCOCC2)cc1 ZINC001576188679 1164264696 /nfs/dbraw/zinc/26/46/96/1164264696.db2.gz IQIPKWUYJHFFJP-CYBMUJFWSA-N 1 0 319.405 0.818 20 10 DCCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC001576780036 1164461072 /nfs/dbraw/zinc/46/10/72/1164461072.db2.gz KWHLYEFBINZUOY-ZIAGYGMSSA-N 1 0 320.437 0.908 20 10 DCCDRO O=C(NCc1cc(O)ccc1O)C1(C2(O)CC[NH2+]CC2)CCC1 ZINC001580710896 1165696911 /nfs/dbraw/zinc/69/69/11/1165696911.db2.gz HPATUOXNSRPYII-UHFFFAOYSA-N 1 0 320.389 0.999 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001658856731 1173926167 /nfs/dbraw/zinc/92/61/67/1173926167.db2.gz DGSUJHWUBVZBKY-NSHDSACASA-N 1 0 314.407 0.772 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnon2)cc1C ZINC001667910996 1174732064 /nfs/dbraw/zinc/73/20/64/1174732064.db2.gz DJVHNNITOVPACA-LBPRGKRZSA-N 1 0 320.349 0.267 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CNC(C)=O)cc1C ZINC001714369513 1181338687 /nfs/dbraw/zinc/33/86/87/1181338687.db2.gz HREQBVCJFJYLQF-GFCCVEGCSA-N 1 0 321.421 0.982 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC(N)=O)cc1C ZINC001717402474 1182821439 /nfs/dbraw/zinc/82/14/39/1182821439.db2.gz GKIBYCNXLQAZTD-VXGBXAGGSA-N 1 0 307.394 0.862 20 10 DCCDRO Oc1cc(O)c(CCNc2ncnc3c2C[NH2+]CC3)cc1O ZINC001168010555 748944025 /nfs/dbraw/zinc/94/40/25/748944025.db2.gz RIMIPPYYNUDVSV-UHFFFAOYSA-N 1 0 302.334 0.894 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CC(N)=O)cc1C ZINC001044967721 752965582 /nfs/dbraw/zinc/96/55/82/752965582.db2.gz SNSGFWLUYRKQTQ-AWEZNQCLSA-N 1 0 319.405 0.960 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001047956756 754554005 /nfs/dbraw/zinc/55/40/05/754554005.db2.gz ZYFZZQNQNNUMFP-TZMCWYRMSA-N 1 0 319.405 0.816 20 10 DCCDRO [NH3+]C[C@@]1(F)CCCN(C(=O)CN2C(=O)CSC2=S)CC1 ZINC001157739266 762659966 /nfs/dbraw/zinc/65/99/66/762659966.db2.gz GMCYTUBMHSWKRN-GFCCVEGCSA-N 1 0 319.427 0.526 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)NC(C)=O)cc1C ZINC001123082944 767924568 /nfs/dbraw/zinc/92/45/68/767924568.db2.gz MUKQNXNNWQPANB-LBPRGKRZSA-N 1 0 307.394 0.734 20 10 DCCDRO O=C(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)N1CCCO1 ZINC001204020269 760560618 /nfs/dbraw/zinc/56/06/18/760560618.db2.gz LFYPHOIWGMVCHQ-UHFFFAOYSA-N 1 0 323.368 0.916 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCNC2=O)cc1C ZINC001129958120 763059456 /nfs/dbraw/zinc/05/94/56/763059456.db2.gz YGVHASMFYBYHPT-CQSZACIVSA-N 1 0 319.405 0.736 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001119146363 766560180 /nfs/dbraw/zinc/56/01/80/766560180.db2.gz UGKMFSKPKVFQOK-MRXNPFEDSA-N 1 0 320.437 0.927 20 10 DCCDRO Cn1ccn2c(C[NH2+][C@H]3CCc4cccc(O)c43)nnc2c1=O ZINC001119345352 766637838 /nfs/dbraw/zinc/63/78/38/766637838.db2.gz ONNJLPQCOPPEFK-NSHDSACASA-N 1 0 311.345 0.911 20 10 DCCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001119613720 766748767 /nfs/dbraw/zinc/74/87/67/766748767.db2.gz NBMCMAKDOVLKTI-SWLSCSKDSA-N 1 0 307.394 0.362 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)C[C@H]3C(N)=O)cc2)CC1 ZINC001139409938 768472556 /nfs/dbraw/zinc/47/25/56/768472556.db2.gz WCESQVSNUYFWNX-HOCLYGCPSA-N 1 0 320.412 0.836 20 10 DCCDRO CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(C)ccc1O ZINC001140620875 768536444 /nfs/dbraw/zinc/53/64/44/768536444.db2.gz CYJMDBITZKHAMN-CYBMUJFWSA-N 1 0 306.362 0.954 20 10 DCCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233483369 769369498 /nfs/dbraw/zinc/36/94/98/769369498.db2.gz XGZGSQYAWGQFOE-BONVTDFDSA-N 1 0 309.318 0.425 20 10 DCCDRO O=C1COC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)CN1 ZINC001233486198 769371071 /nfs/dbraw/zinc/37/10/71/769371071.db2.gz CIKBAZMRAWTCQB-UHFFFAOYSA-N 1 0 308.334 0.284 20 10 DCCDRO [O-]c1c(Cl)cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870942 769955189 /nfs/dbraw/zinc/95/51/89/769955189.db2.gz NJZGAFRKQLUYIN-UHFFFAOYSA-N 1 0 312.845 0.630 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)OCCN2C ZINC001236055626 769975930 /nfs/dbraw/zinc/97/59/30/769975930.db2.gz UAXZDMXGNSGXOJ-AWEZNQCLSA-N 1 0 305.378 0.462 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCNC(=O)CC3)c(F)c2)CC1 ZINC001236932131 770024565 /nfs/dbraw/zinc/02/45/65/770024565.db2.gz OIRSPWWNTCLWEU-UHFFFAOYSA-N 1 0 320.412 0.899 20 10 DCCDRO COc1cc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)c(OC)c1 ZINC001237679568 770072782 /nfs/dbraw/zinc/07/27/82/770072782.db2.gz WLXFDYMOSYJYLL-GXFFZTMASA-N 1 0 306.362 0.977 20 10 DCCDRO CCOC(=O)[C@@H]1CNCCN1C(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001157998823 771709223 /nfs/dbraw/zinc/70/92/23/771709223.db2.gz IGGZDBNYCPDREX-OLZOCXBDSA-N 1 0 321.377 0.146 20 10 DCCDRO [NH3+]CCN(CCO)c1cc(F)c(CN2CCOCC2)c(F)c1 ZINC001163835717 772580141 /nfs/dbraw/zinc/58/01/41/772580141.db2.gz BVTPQAZNSGTRSV-UHFFFAOYSA-N 1 0 315.364 0.554 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1O ZINC001205352871 772988110 /nfs/dbraw/zinc/98/81/10/772988110.db2.gz QTXPPXRWAPCQSM-HUUCEWRRSA-N 1 0 303.406 0.595 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1O ZINC001205369846 772989389 /nfs/dbraw/zinc/98/93/89/772989389.db2.gz JVJPSDISDLLKAC-HUUCEWRRSA-N 1 0 311.813 0.680 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1C[NH2+]C[C@H]1O ZINC001220212355 774736235 /nfs/dbraw/zinc/73/62/35/774736235.db2.gz GOAYRFALOFPWJC-CMPLNLGQSA-N 1 0 321.764 0.790 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(O)c(O)c1)C2 ZINC001270038537 940820764 /nfs/dbraw/zinc/82/07/64/940820764.db2.gz ZHTWDLYRDZCBJL-OCCSQVGLSA-N 1 0 319.405 0.806 20 10 DCCDRO CN(C)C(=O)CNC(=O)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277440517 944818392 /nfs/dbraw/zinc/81/83/92/944818392.db2.gz BCGADGAKNLJNHR-CYBMUJFWSA-N 1 0 317.389 0.419 20 10 DCCDRO COC(=O)Cc1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c(O)c1 ZINC001249223790 945624757 /nfs/dbraw/zinc/62/47/57/945624757.db2.gz MSHIBHHTTOYJSL-UHFFFAOYSA-N 1 0 318.373 0.772 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)cc1C ZINC001320285599 945804309 /nfs/dbraw/zinc/80/43/09/945804309.db2.gz CXLRBEXRTLICGV-LBPRGKRZSA-N 1 0 319.365 0.002 20 10 DCCDRO CCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@H]1CC[NH2+]C1 ZINC001262078150 947558807 /nfs/dbraw/zinc/55/88/07/947558807.db2.gz ZUFPAKWSKPNFCU-ZDUSSCGKSA-N 1 0 305.378 0.561 20 10 DCCDRO Nc1ccc(CC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC001326164654 948080727 /nfs/dbraw/zinc/08/07/27/948080727.db2.gz FLWDNLTWZNOPEC-HNNXBMFYSA-N 1 0 314.393 0.725 20 10 DCCDRO CN1CCN(c2ccc(CN3CCO[C@@H](C[NH3+])C3)cc2F)CC1 ZINC001328400135 948877560 /nfs/dbraw/zinc/87/75/60/948877560.db2.gz BVUUUMQTZDEBCU-HNNXBMFYSA-N 1 0 322.428 0.737 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCC[NH2+]C1 ZINC001332302080 951573539 /nfs/dbraw/zinc/57/35/39/951573539.db2.gz KXKBHUYVEIPTKJ-RYUDHWBXSA-N 1 0 317.389 0.739 20 10 DCCDRO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001275266765 952037730 /nfs/dbraw/zinc/03/77/30/952037730.db2.gz DVRRKGLDZMVYFE-HOCLYGCPSA-N 1 0 319.405 0.365 20 10 DCCDRO C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001276009161 952616801 /nfs/dbraw/zinc/61/68/01/952616801.db2.gz JHLGOZFELMWCAT-UHFFFAOYSA-N 1 0 319.405 0.770 20 10 DCCDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001336295856 952673775 /nfs/dbraw/zinc/67/37/75/952673775.db2.gz QTNXHCUQKIZFAL-DRZSPHRISA-N 1 0 315.373 0.573 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCF)CC2)cc1 ZINC001336754197 952760544 /nfs/dbraw/zinc/76/05/44/952760544.db2.gz CFJSCUVREQBSAL-HNNXBMFYSA-N 1 0 311.401 0.737 20 10 DCCDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001340174003 953151832 /nfs/dbraw/zinc/15/18/32/953151832.db2.gz XGAIVCJGLJXHGR-STQMWFEESA-N 1 0 307.369 0.873 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@H](O)C[NH3+])C2)cc1 ZINC001341991414 953262839 /nfs/dbraw/zinc/26/28/39/953262839.db2.gz XYZKFMYSOZUZEN-OCCSQVGLSA-N 1 0 307.394 0.347 20 10 DCCDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccc(N(C)C)cc1 ZINC001347262179 954058985 /nfs/dbraw/zinc/05/89/85/954058985.db2.gz NTDFDMUXLAQFLB-BBRMVZONSA-N 1 0 302.422 0.757 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCO2)cc1C ZINC001283733182 954561672 /nfs/dbraw/zinc/56/16/72/954561672.db2.gz KQOQDAIPLABJEP-HOCLYGCPSA-N 1 0 322.405 0.749 20 10 DCCDRO CNC(=O)C1([NH2+]Cc2ccc(OC)c(OC)c2O)CCOCC1 ZINC001352079497 955506411 /nfs/dbraw/zinc/50/64/11/955506411.db2.gz QTBPEYYNWGLIMF-UHFFFAOYSA-N 1 0 324.377 0.794 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)CC1 ZINC001353145910 955946255 /nfs/dbraw/zinc/94/62/55/955946255.db2.gz HLYCNGXAGGFICS-JKSUJKDBSA-N 1 0 318.421 0.171 20 10 DCCDRO COc1ccc(C[NH2+]CCN2CCNC2=S)c(O)c1OC ZINC001308986872 960186240 /nfs/dbraw/zinc/18/62/40/960186240.db2.gz IYVBCCINCXYRTN-UHFFFAOYSA-N 1 0 311.407 0.689 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2)CC1 ZINC001471564109 1016601357 /nfs/dbraw/zinc/60/13/57/1016601357.db2.gz JPBFJCDBXHLPKD-CABCVRRESA-N 1 0 316.405 0.176 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001472257950 1016775630 /nfs/dbraw/zinc/77/56/30/1016775630.db2.gz AWZZCUGKEXRAMY-UONOGXRCSA-N 1 0 320.389 0.698 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@@]3(C)C[C@@H](O)C[NH2+]3)ccc21 ZINC001521465197 1017380631 /nfs/dbraw/zinc/38/06/31/1017380631.db2.gz ZPFMPZGNFQHIOM-RHSMWYFYSA-N 1 0 303.406 0.798 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[NH2+]CCN1C ZINC001521495744 1017388351 /nfs/dbraw/zinc/38/83/51/1017388351.db2.gz JPPAIIIQIPEHRY-CQSZACIVSA-N 1 0 304.394 0.382 20 10 DCCDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(O)c3O)CC2)C1 ZINC000377050569 530055122 /nfs/dbraw/zinc/05/51/22/530055122.db2.gz ZUSMPSLDADAGCD-CYBMUJFWSA-N 1 0 319.405 0.950 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000165413821 237118332 /nfs/dbraw/zinc/11/83/32/237118332.db2.gz IZUUBPJGHONOPI-TZMCWYRMSA-N 1 0 323.368 0.001 20 10 DCCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(F)ccc(O)c1O ZINC000276506756 238320018 /nfs/dbraw/zinc/32/00/18/238320018.db2.gz APSKPARBSKVSPU-SNVBAGLBSA-N 1 0 311.357 0.603 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCOC1)cc2=O ZINC000264472403 396282478 /nfs/dbraw/zinc/28/24/78/396282478.db2.gz YBSCNCNXTBNMEN-LLVKDONJSA-N 1 0 320.349 0.832 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000289632579 415711352 /nfs/dbraw/zinc/71/13/52/415711352.db2.gz PLJSATMZBHZSSA-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO C[C@H](CO)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@H](C)O ZINC000297947558 415984594 /nfs/dbraw/zinc/98/45/94/415984594.db2.gz ASSSKQRCCQIVHP-KGLIPLIRSA-N 1 0 323.437 0.432 20 10 DCCDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(N)cc1 ZINC000269230227 295152679 /nfs/dbraw/zinc/15/26/79/295152679.db2.gz CCDDHGIWIHEYTH-CQSZACIVSA-N 1 0 304.394 0.267 20 10 DCCDRO COCC[N@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000820723511 598181416 /nfs/dbraw/zinc/18/14/16/598181416.db2.gz MRGNBBHEABYVFY-UHFFFAOYSA-N 1 0 321.421 0.971 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)C(C)(C)O)[NH+](C)C)cc1 ZINC000891246806 658077786 /nfs/dbraw/zinc/07/77/86/658077786.db2.gz PNBKIEAJRDCYSC-LSDHHAIUSA-N 1 0 323.437 0.603 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000897059568 662387453 /nfs/dbraw/zinc/38/74/53/662387453.db2.gz YERAKMDAPCORPD-SNVBAGLBSA-N 1 0 300.380 0.511 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000321557035 662682365 /nfs/dbraw/zinc/68/23/65/662682365.db2.gz SLLHXVZUPZOLHZ-UHFFFAOYSA-N 1 0 316.409 0.965 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1 ZINC000903280922 663451727 /nfs/dbraw/zinc/45/17/27/663451727.db2.gz OIUFAPLYBPAOQK-MLGOLLRUSA-N 1 0 310.394 0.745 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903968901 663499634 /nfs/dbraw/zinc/49/96/34/663499634.db2.gz PWEMGCLKDKZFKQ-NSHDSACASA-N 1 0 314.407 0.267 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)cc1F ZINC000905076216 663530672 /nfs/dbraw/zinc/53/06/72/663530672.db2.gz NJSUMDCVIRSLPI-OAHLLOKOSA-N 1 0 312.385 0.884 20 10 DCCDRO COc1nccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000911667973 664097314 /nfs/dbraw/zinc/09/73/14/664097314.db2.gz VTVFPVOFWKUPKF-CYBMUJFWSA-N 1 0 315.377 0.981 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)C(C)(C)O)cc2)CC1 ZINC000918837994 665185003 /nfs/dbraw/zinc/18/50/03/665185003.db2.gz AJJXFXHWZJOKNW-HNNXBMFYSA-N 1 0 321.421 0.186 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000861680813 666957863 /nfs/dbraw/zinc/95/78/63/666957863.db2.gz KVMZIFIFTQQVQS-AWEZNQCLSA-N 1 0 306.410 0.882 20 10 DCCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(N)=O)CC2)cc1C ZINC000996951287 667042042 /nfs/dbraw/zinc/04/20/42/667042042.db2.gz HGCXFXWNHFDPAL-UHFFFAOYSA-N 1 0 305.378 0.570 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN(C)CCOCC[NH3+])cc1 ZINC000863555976 667157169 /nfs/dbraw/zinc/15/71/69/667157169.db2.gz YQPWCFFXBDLQIA-UHFFFAOYSA-N 1 0 308.426 0.276 20 10 DCCDRO COc1cccc(O)c1C[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865770093 667345401 /nfs/dbraw/zinc/34/54/01/667345401.db2.gz ODMOTYLMDLXSRJ-HNNXBMFYSA-N 1 0 308.334 0.712 20 10 DCCDRO Cc1ccc(O)c(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c1 ZINC000865798774 667348531 /nfs/dbraw/zinc/34/85/31/667348531.db2.gz YIEGVCAJYAOLFA-INIZCTEOSA-N 1 0 306.362 0.418 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)cc1C ZINC001036158168 667428796 /nfs/dbraw/zinc/42/87/96/667428796.db2.gz AISPKHJRVQQDKL-JSGCOSHPSA-N 1 0 319.405 0.816 20 10 DCCDRO [NH3+]C[C@]1(CO)COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000923426888 667530941 /nfs/dbraw/zinc/53/09/41/667530941.db2.gz OPPWFBQSOHYAOC-KRWDZBQOSA-N 1 0 321.421 0.045 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884531854 667562203 /nfs/dbraw/zinc/56/22/03/667562203.db2.gz WUIZJSJDPSQKLQ-OCCSQVGLSA-N 1 0 318.421 0.625 20 10 DCCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCNC1=O ZINC000876814804 668515881 /nfs/dbraw/zinc/51/58/81/668515881.db2.gz IYTJIJNZNKAZRR-INIZCTEOSA-N 1 0 303.406 0.968 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)C[NH3+])CC2)c(OC)c1 ZINC000877227904 668578962 /nfs/dbraw/zinc/57/89/62/668578962.db2.gz QBWNMVMMKNQEEH-LBPRGKRZSA-N 1 0 307.394 0.947 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000768316670 668605477 /nfs/dbraw/zinc/60/54/77/668605477.db2.gz LLHWUAXXLSPOET-UHFFFAOYSA-N 1 0 308.378 0.721 20 10 DCCDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464294 668610663 /nfs/dbraw/zinc/61/06/63/668610663.db2.gz PPEBBMSCQPOGSL-UHIISALHSA-N 1 0 304.346 0.671 20 10 DCCDRO OC[C@]1(O)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877584780 668631154 /nfs/dbraw/zinc/63/11/54/668631154.db2.gz YPIZFFWBYBLCIE-SFHVURJKSA-N 1 0 320.433 0.967 20 10 DCCDRO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775372517 668861714 /nfs/dbraw/zinc/86/17/14/668861714.db2.gz DBIGRHJELKVVRP-SNVBAGLBSA-N 1 0 310.350 0.731 20 10 DCCDRO C[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000878946513 668954601 /nfs/dbraw/zinc/95/46/01/668954601.db2.gz ABFVYAPOEOGVJA-ZDUSSCGKSA-N 1 0 306.410 0.618 20 10 DCCDRO CC[N@H+](C)C[C@H](O)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881418521 669339253 /nfs/dbraw/zinc/33/92/53/669339253.db2.gz GYMMEQRFFPVBGH-AWEZNQCLSA-N 1 0 305.382 0.752 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cn[nH]n3)cc2)CC1 ZINC000881850414 669397761 /nfs/dbraw/zinc/39/77/61/669397761.db2.gz ULHUBTOYDLSIRO-UHFFFAOYSA-N 1 0 300.366 0.487 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC000789770143 669507643 /nfs/dbraw/zinc/50/76/43/669507643.db2.gz RPJSTMSCNBBGTL-INIZCTEOSA-N 1 0 319.361 0.965 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[NH2+]CC3(O)CCC3)cc2)CC1 ZINC000849326957 670776919 /nfs/dbraw/zinc/77/69/19/670776919.db2.gz MANIWCPJWUXNND-UHFFFAOYSA-N 1 0 324.446 0.926 20 10 DCCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000858209842 670979751 /nfs/dbraw/zinc/97/97/51/670979751.db2.gz AGRLYVGQWZZZCP-CQSZACIVSA-N 1 0 306.410 0.746 20 10 DCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000858292168 670989066 /nfs/dbraw/zinc/98/90/66/670989066.db2.gz CWMXGJWBQLZHAA-UHFFFAOYSA-N 1 0 307.394 0.912 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000851691803 671016454 /nfs/dbraw/zinc/01/64/54/671016454.db2.gz LQXQRECYCYVPRM-GFCCVEGCSA-N 1 0 306.410 0.435 20 10 DCCDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852859364 671177088 /nfs/dbraw/zinc/17/70/88/671177088.db2.gz RXHOLKSTIPVCME-JKSUJKDBSA-N 1 0 319.405 0.503 20 10 DCCDRO CC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[NH2+]C1 ZINC000852868747 671180356 /nfs/dbraw/zinc/18/03/56/671180356.db2.gz MAGLSIHHVFXNRR-UHFFFAOYSA-N 1 0 303.406 0.873 20 10 DCCDRO O=C(NCc1ccccc1O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000828016031 671542503 /nfs/dbraw/zinc/54/25/03/671542503.db2.gz RJPGUKXVGADXGT-GFCCVEGCSA-N 1 0 301.350 0.666 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCCC2=O)cc1 ZINC000832279224 671713221 /nfs/dbraw/zinc/71/32/21/671713221.db2.gz HGZXGUXWLBKZBZ-CQSZACIVSA-N 1 0 304.394 0.491 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)c2cnn(C)c2)cc1 ZINC000832278488 671713255 /nfs/dbraw/zinc/71/32/55/671713255.db2.gz CXFPPWYFYMMMIQ-CQSZACIVSA-N 1 0 315.377 0.485 20 10 DCCDRO c1cc(N2CCOCC2)ccc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841087670 671912108 /nfs/dbraw/zinc/91/21/08/671912108.db2.gz UZSQSUMRVFFPFL-KRWDZBQOSA-N 1 0 305.422 0.991 20 10 DCCDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036169 671977929 /nfs/dbraw/zinc/97/79/29/671977929.db2.gz KUTOPGVKPSFXHF-GXTWGEPZSA-N 1 0 318.421 0.565 20 10 DCCDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCSc1nccs1 ZINC000842092284 671982227 /nfs/dbraw/zinc/98/22/27/671982227.db2.gz KTSMMTGEQBWSKD-SECBINFHSA-N 1 0 316.452 0.595 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC[NH2+]C2CC2)cc1F ZINC000842148843 671985723 /nfs/dbraw/zinc/98/57/23/671985723.db2.gz QVBINBKSAMVWSR-UHFFFAOYSA-N 1 0 322.384 0.376 20 10 DCCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842153568 671986949 /nfs/dbraw/zinc/98/69/49/671986949.db2.gz NDRJZVMQKBUCAB-CYBMUJFWSA-N 1 0 320.437 0.791 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000842153967 671986975 /nfs/dbraw/zinc/98/69/75/671986975.db2.gz QWSZIFWLHWDEIR-NSHDSACASA-N 1 0 306.410 0.388 20 10 DCCDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842185407 671991258 /nfs/dbraw/zinc/99/12/58/671991258.db2.gz FVXFOHIHKXGOJT-ZDUSSCGKSA-N 1 0 320.437 0.774 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000842203756 671994174 /nfs/dbraw/zinc/99/41/74/671994174.db2.gz XGEFTGGQXLHGJL-OCCSQVGLSA-N 1 0 318.421 0.798 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842203006 671994239 /nfs/dbraw/zinc/99/42/39/671994239.db2.gz NZYOYXGCRULGMT-TYNCELHUSA-N 1 0 318.421 0.735 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000842207179 671994739 /nfs/dbraw/zinc/99/47/39/671994739.db2.gz MKUBXSLHYVGHBF-UHFFFAOYSA-N 1 0 318.421 0.581 20 10 DCCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000842212257 671995881 /nfs/dbraw/zinc/99/58/81/671995881.db2.gz DIILHNUEZUCLIY-UHFFFAOYSA-N 1 0 316.405 0.335 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842254678 672000634 /nfs/dbraw/zinc/00/06/34/672000634.db2.gz MNADSPLMGHZHLC-LBPRGKRZSA-N 1 0 306.410 0.565 20 10 DCCDRO Cc1n[nH]cc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784445 672036970 /nfs/dbraw/zinc/03/69/70/672036970.db2.gz JTWZKQPSQADFCN-ZDUSSCGKSA-N 1 0 323.422 0.762 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cn(C)cn2)cc1 ZINC000842785839 672037518 /nfs/dbraw/zinc/03/75/18/672037518.db2.gz WKLGGKLQECUOOQ-ZDUSSCGKSA-N 1 0 323.422 0.464 20 10 DCCDRO NC(=O)Cn1cc(CN2CCCc3cc(C[NH3+])ccc32)nn1 ZINC000843058537 672057326 /nfs/dbraw/zinc/05/73/26/672057326.db2.gz TZVCVJPRJGREKW-UHFFFAOYSA-N 1 0 300.366 0.175 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000844186435 672160231 /nfs/dbraw/zinc/16/02/31/672160231.db2.gz JRLOGBQBHVFUFA-INIZCTEOSA-N 1 0 320.437 0.777 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846150624 672297438 /nfs/dbraw/zinc/29/74/38/672297438.db2.gz KNFJJMXFTYHILL-SNVBAGLBSA-N 1 0 302.396 0.991 20 10 DCCDRO CCO[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC000846172979 672299032 /nfs/dbraw/zinc/29/90/32/672299032.db2.gz ONLQKPQXNHZKOD-UKRRQHHQSA-N 1 0 306.410 0.817 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@@H](C)[NH3+])cc1 ZINC000846345644 672309104 /nfs/dbraw/zinc/30/91/04/672309104.db2.gz WRVOIZXRPLFOPR-GFCCVEGCSA-N 1 0 322.409 0.053 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C[NH3+])OC)cc1 ZINC000846695779 672338247 /nfs/dbraw/zinc/33/82/47/672338247.db2.gz AOZHRRYJYUEFFN-HNNXBMFYSA-N 1 0 309.410 0.954 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc(OC)n1 ZINC001007792747 690750375 /nfs/dbraw/zinc/75/03/75/690750375.db2.gz OQTYRJRWIXUNQH-ZDUSSCGKSA-N 1 0 323.393 0.675 20 10 DCCDRO CO[C@@H]1C[NH2+]C[C@H]1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC001573966644 1163610866 /nfs/dbraw/zinc/61/08/66/1163610866.db2.gz LNNJRDOJJUASFH-ZIAGYGMSSA-N 1 0 313.423 0.159 20 10 DCCDRO CCOC(=O)C[C@@H](O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577944615 1164855417 /nfs/dbraw/zinc/85/54/17/1164855417.db2.gz YTPRMNBTRGTAHH-UONOGXRCSA-N 1 0 323.393 0.183 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ns[nH]c2=O)cc1 ZINC001578424239 1165010860 /nfs/dbraw/zinc/01/08/60/1165010860.db2.gz BEAPKNIIVIRKFR-SNVBAGLBSA-N 1 0 307.379 0.740 20 10 DCCDRO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC001580885674 1165752836 /nfs/dbraw/zinc/75/28/36/1165752836.db2.gz KXRWDZDEUMRFIR-XJKSGUPXSA-N 1 0 309.385 0.332 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000165413697 1183146370 /nfs/dbraw/zinc/14/63/70/1183146370.db2.gz IZUUBPJGHONOPI-OCCSQVGLSA-N 1 0 323.368 0.001 20 10 DCCDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH2+]CCO ZINC001753645000 1188629208 /nfs/dbraw/zinc/62/92/08/1188629208.db2.gz QDKJLWVKTBCLGP-JTQLQIEISA-N 1 0 307.354 0.797 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC2CC2)cc1 ZINC001753946632 1188692685 /nfs/dbraw/zinc/69/26/85/1188692685.db2.gz FQAQPZOJNHSBGC-ZDUSSCGKSA-N 1 0 319.365 0.939 20 10 DCCDRO O=C(CNc1nccc(C2C[NH2+]C2)n1)c1ccc(O)c(O)c1 ZINC001170315885 762608471 /nfs/dbraw/zinc/60/84/71/762608471.db2.gz IUQIFTYLYCVEQG-UHFFFAOYSA-N 1 0 300.318 0.869 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C2(C(N)=O)CC2)cc1C ZINC001133189637 764867130 /nfs/dbraw/zinc/86/71/30/764867130.db2.gz XUPLITUAJMPXLS-UHFFFAOYSA-N 1 0 305.378 0.475 20 10 DCCDRO O=C(NCCC[NH2+]C1CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001119359988 766645629 /nfs/dbraw/zinc/64/56/29/766645629.db2.gz RTNNWTNSDSVMMX-UHFFFAOYSA-N 1 0 303.362 0.493 20 10 DCCDRO O=C1CC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)CC(=O)N1 ZINC001144514880 766964839 /nfs/dbraw/zinc/96/48/39/766964839.db2.gz WDYLEXFATBGFBJ-UHFFFAOYSA-N 1 0 320.345 0.822 20 10 DCCDRO C[C@@H]1CNC(=O)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412336 768472419 /nfs/dbraw/zinc/47/24/19/768472419.db2.gz GUHKESRDLZXVLP-CQSZACIVSA-N 1 0 302.422 0.759 20 10 DCCDRO COc1cc(N(C)C)ccc1CN1CCN2C(=O)COC[C@H]2C1 ZINC001231855628 769288476 /nfs/dbraw/zinc/28/84/76/769288476.db2.gz XLHLPWDNIUVYBD-OAHLLOKOSA-N 1 0 319.405 0.804 20 10 DCCDRO O=C1CC2(CCN(Cc3cc(O)c(O)c(O)c3)CC2)CC(=O)N1 ZINC001233015792 769344589 /nfs/dbraw/zinc/34/45/89/769344589.db2.gz BACYKCLOCQQQEI-UHFFFAOYSA-N 1 0 320.345 0.822 20 10 DCCDRO O=C1C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCN1C1CC1 ZINC001171999886 769407115 /nfs/dbraw/zinc/40/71/15/769407115.db2.gz WTNSEWOCROZXGE-ABAIWWIYSA-N 1 0 306.362 0.874 20 10 DCCDRO COC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001172731935 769497913 /nfs/dbraw/zinc/49/79/13/769497913.db2.gz LHVMIYJCVCUUQS-AWEZNQCLSA-N 1 0 310.350 0.952 20 10 DCCDRO COC(=O)Cc1ccc(CN2CC[NH2+]C[C@H]2C(=O)OC)c(O)c1 ZINC001236058437 769975660 /nfs/dbraw/zinc/97/56/60/769975660.db2.gz QQEPAWREVFUBEB-ZDUSSCGKSA-N 1 0 322.361 0.055 20 10 DCCDRO O=S1(=O)CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001236295114 769988886 /nfs/dbraw/zinc/98/88/86/769988886.db2.gz PSUCSDFVPQJVFX-GDBMZVCRSA-N 1 0 321.446 0.325 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)c(OC)cc2O)C[C@H]1[NH3+] ZINC001236348313 770001988 /nfs/dbraw/zinc/00/19/88/770001988.db2.gz CJORHHVHFCOPCK-MWLCHTKSSA-N 1 0 314.769 0.986 20 10 DCCDRO COC(=O)Cc1ccc(CN2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236356477 770007088 /nfs/dbraw/zinc/00/70/88/770007088.db2.gz MMXLMJNFVWZFRG-STQMWFEESA-N 1 0 322.361 0.040 20 10 DCCDRO NC(=O)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237498 770385935 /nfs/dbraw/zinc/38/59/35/770385935.db2.gz BQOONNPYZIZJTH-UHFFFAOYSA-N 1 0 306.326 0.044 20 10 DCCDRO CC[NH+]1CCN(CCC(=O)NCc2c(O)cccc2O)CC1 ZINC001156881192 770951687 /nfs/dbraw/zinc/95/16/87/770951687.db2.gz UAYJTXJZUOOBAJ-UHFFFAOYSA-N 1 0 307.394 0.742 20 10 DCCDRO CN(C)c1ccc(/C=C/C(=O)N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001180122175 771065193 /nfs/dbraw/zinc/06/51/93/771065193.db2.gz KNVWMHPCBACGFM-RMKNXTFCSA-N 1 0 311.407 0.513 20 10 DCCDRO O=C(CCc1ccc(O)c(O)c1)N[C@@H](CO)Cc1c[nH]cn1 ZINC001182156014 771421914 /nfs/dbraw/zinc/42/19/14/771421914.db2.gz ZYRWDSVZZOZQAA-GFCCVEGCSA-N 1 0 305.334 0.473 20 10 DCCDRO C[N@@H+]1CCCN(CCNC(=O)CCc2ccc(O)c(O)c2)CC1 ZINC001182155731 771422470 /nfs/dbraw/zinc/42/24/70/771422470.db2.gz OASGDSCFVNWLBO-UHFFFAOYSA-N 1 0 321.421 0.784 20 10 DCCDRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001160873188 772130367 /nfs/dbraw/zinc/13/03/67/772130367.db2.gz UHXRSHSRIMIZJG-ZDUSSCGKSA-N 1 0 303.362 0.227 20 10 DCCDRO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925388 772138397 /nfs/dbraw/zinc/13/83/97/772138397.db2.gz ZQYJXDZFHUBGKU-FPMFFAJLSA-N 1 0 317.389 0.323 20 10 DCCDRO C[NH+](C)CCN1CCN(Cc2ccc(O)c(O)c2)CCC1=O ZINC001203878578 772928175 /nfs/dbraw/zinc/92/81/75/772928175.db2.gz DADLZQVYGJHLOW-UHFFFAOYSA-N 1 0 307.394 0.694 20 10 DCCDRO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000400214087 774023316 /nfs/dbraw/zinc/02/33/16/774023316.db2.gz KVKYTBIXUIERBS-JTQLQIEISA-N 1 0 314.363 0.244 20 10 DCCDRO Cc1c(O)ccc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c1O ZINC001272660662 942902436 /nfs/dbraw/zinc/90/24/36/942902436.db2.gz VWZKKXYXFNSHPV-MRXNPFEDSA-N 1 0 306.362 0.839 20 10 DCCDRO O=C(Nc1nnco1)[C@H]1CC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277656691 944931384 /nfs/dbraw/zinc/93/13/84/944931384.db2.gz HNJNRQUZEDOYNK-LLVKDONJSA-N 1 0 316.317 0.941 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001249179073 945623963 /nfs/dbraw/zinc/62/39/63/945623963.db2.gz ZVQFPWJGYHVRPZ-HIFRSBDPSA-N 1 0 309.362 0.283 20 10 DCCDRO COC(=O)Cc1ccc(C[NH+]2CC(N(C)C3COC3)C2)c(O)c1 ZINC001249207308 945624134 /nfs/dbraw/zinc/62/41/34/945624134.db2.gz BDNRCOMAMUMPDV-UHFFFAOYSA-N 1 0 320.389 0.623 20 10 DCCDRO COc1cccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1O ZINC001257292605 946723578 /nfs/dbraw/zinc/72/35/78/946723578.db2.gz NWIIAUFRXLYACU-UHFFFAOYSA-N 1 0 315.391 0.430 20 10 DCCDRO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(O)c1O ZINC001324587315 947465670 /nfs/dbraw/zinc/46/56/70/947465670.db2.gz RVSMTBPMGJSGPN-LBPRGKRZSA-N 1 0 308.378 0.983 20 10 DCCDRO CCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC001262078149 947557728 /nfs/dbraw/zinc/55/77/28/947557728.db2.gz ZUFPAKWSKPNFCU-CYBMUJFWSA-N 1 0 305.378 0.561 20 10 DCCDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001262552380 947724421 /nfs/dbraw/zinc/72/44/21/947724421.db2.gz VFNXXWVBIDARSS-ZDUSSCGKSA-N 1 0 303.362 0.349 20 10 DCCDRO CC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1[NH3+] ZINC001329503252 949646952 /nfs/dbraw/zinc/64/69/52/949646952.db2.gz AGOVVBJNTHFMMY-FZMZJTMJSA-N 1 0 317.389 0.820 20 10 DCCDRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001330844070 950702690 /nfs/dbraw/zinc/70/26/90/950702690.db2.gz BOYDOLXVRLCHRC-CQSZACIVSA-N 1 0 319.405 0.951 20 10 DCCDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001331831163 951347620 /nfs/dbraw/zinc/34/76/20/951347620.db2.gz CEXHAMSUJBNWSX-ZDUSSCGKSA-N 1 0 305.378 0.561 20 10 DCCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cc(O)cc1O ZINC001275112450 951959710 /nfs/dbraw/zinc/95/97/10/951959710.db2.gz DSGJPZZMIVGOBP-TXEJJXNPSA-N 1 0 324.377 0.682 20 10 DCCDRO COC(=O)[C@H]1C[NH+](Cc2cccc(OC)c2O)C[C@@H]1C(=O)OC ZINC001335581416 952559366 /nfs/dbraw/zinc/55/93/66/952559366.db2.gz CWRYMCAWNWVCDM-RYUDHWBXSA-N 1 0 323.345 0.795 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CNOC2)[NH+](C)C)cc1 ZINC001336207416 952660947 /nfs/dbraw/zinc/66/09/47/952660947.db2.gz LFAKATJYUHFOJU-DZGCQCFKSA-N 1 0 321.425 0.558 20 10 DCCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]([NH3+])CO ZINC001340121131 953146899 /nfs/dbraw/zinc/14/68/99/953146899.db2.gz HVSFMVLJVLNUOO-SNVBAGLBSA-N 1 0 317.183 0.823 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC001341924186 953258913 /nfs/dbraw/zinc/25/89/13/953258913.db2.gz RDUOPZLCHOEZGI-HOTGVXAUSA-N 1 0 303.406 0.869 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ncc[nH]2)cc1C ZINC001283757724 954584860 /nfs/dbraw/zinc/58/48/60/954584860.db2.gz WBAHETSPHHHAJH-CYBMUJFWSA-N 1 0 318.377 0.607 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)C[NH2+]1 ZINC001351982834 955478439 /nfs/dbraw/zinc/47/84/39/955478439.db2.gz LJCQQMNGYNDVSZ-MNOVXSKESA-N 1 0 303.362 0.443 20 10 DCCDRO C[NH+]1CCC(CCO)(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001556070155 1012178911 /nfs/dbraw/zinc/17/89/11/1012178911.db2.gz OACKXKMVUYHMAL-UHFFFAOYSA-N 1 0 308.378 0.603 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)c1 ZINC001521265479 1017343171 /nfs/dbraw/zinc/34/31/71/1017343171.db2.gz DISLFRUACSUKEX-HUBLWGQQSA-N 1 0 319.405 0.966 20 10 DCCDRO CC[C@@H](CNC(=O)CC(N)=O)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494954198 1018176957 /nfs/dbraw/zinc/17/69/57/1018176957.db2.gz SMOYACDXAOOJPK-ZDUSSCGKSA-N 1 0 307.394 0.863 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001658856730 1173925758 /nfs/dbraw/zinc/92/57/58/1173925758.db2.gz DGSUJHWUBVZBKY-LLVKDONJSA-N 1 0 314.407 0.772 20 10 DCCDRO CC[NH+]1CCN(CCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000071699821 191010090 /nfs/dbraw/zinc/01/00/90/191010090.db2.gz YKKSUXDUEYSIBG-UHFFFAOYSA-N 1 0 304.438 0.955 20 10 DCCDRO CCS(=O)(=O)NCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182464556 237272773 /nfs/dbraw/zinc/27/27/73/237272773.db2.gz KXKAYRJQZSLXIP-SNVBAGLBSA-N 1 0 302.396 0.991 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)CNC(=O)C[NH3+])cc1F ZINC000274470170 130238151 /nfs/dbraw/zinc/23/81/51/130238151.db2.gz XEKHMWFELVNADC-UHFFFAOYSA-N 1 0 310.373 0.363 20 10 DCCDRO CNC(=O)NC(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000044070821 395755387 /nfs/dbraw/zinc/75/53/87/395755387.db2.gz GWYKGONLXZIRFD-UHFFFAOYSA-N 1 0 320.393 0.663 20 10 DCCDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000271135744 395840591 /nfs/dbraw/zinc/84/05/91/395840591.db2.gz RFTUJIDTTVLIHW-HNNXBMFYSA-N 1 0 324.400 0.607 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1CO)cc2=O ZINC000263744325 396227943 /nfs/dbraw/zinc/22/79/43/396227943.db2.gz RSDXAMAKXNIRAK-LLVKDONJSA-N 1 0 320.349 0.568 20 10 DCCDRO Cc1cccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)c1O ZINC000289678463 415713604 /nfs/dbraw/zinc/71/36/04/415713604.db2.gz DVHDGXQWZLUICJ-UHFFFAOYSA-N 1 0 316.365 0.032 20 10 DCCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(OC)ccc1O ZINC000295012819 415876675 /nfs/dbraw/zinc/87/66/75/415876675.db2.gz JRJPPZMBPQIWLH-LLVKDONJSA-N 1 0 302.396 0.818 20 10 DCCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298448210 416008339 /nfs/dbraw/zinc/00/83/39/416008339.db2.gz HFPGMQAMPCAURS-LRDDRELGSA-N 1 0 318.421 0.483 20 10 DCCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230990945 340621450 /nfs/dbraw/zinc/62/14/50/340621450.db2.gz SKMAFKNEPGEKJD-UHFFFAOYSA-N 1 0 302.352 0.102 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1 ZINC000182464239 524764272 /nfs/dbraw/zinc/76/42/72/524764272.db2.gz YKFFZNVYTGXZLH-SNVBAGLBSA-N 1 0 302.396 0.991 20 10 DCCDRO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(F)ccc1O ZINC000925790600 661077970 /nfs/dbraw/zinc/07/79/70/661077970.db2.gz BUFZNMPRWKKIOS-PWSUYJOCSA-N 1 0 316.398 0.959 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CC(=O)N2)[NH+](C)C)cc1 ZINC000891250581 658086164 /nfs/dbraw/zinc/08/61/64/658086164.db2.gz XOXXHOQFLXWDLH-UKRRQHHQSA-N 1 0 318.421 0.750 20 10 DCCDRO COC[C@@](C)(O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250500 658086315 /nfs/dbraw/zinc/08/63/15/658086315.db2.gz AOTUZAFUQNZDKY-DOTOQJQBSA-N 1 0 323.437 0.869 20 10 DCCDRO OC1CCN(c2ccc(CN[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925717715 659038367 /nfs/dbraw/zinc/03/83/67/659038367.db2.gz WRZHFCRSTPEESM-HNNXBMFYSA-N 1 0 305.422 0.726 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c(O)c1OC ZINC000893242305 659145072 /nfs/dbraw/zinc/14/50/72/659145072.db2.gz WMOWMFZFJJESSF-SECBINFHSA-N 1 0 303.380 0.932 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)C(F)(F)F)cc1 ZINC000841846799 661659498 /nfs/dbraw/zinc/65/94/98/661659498.db2.gz VLIAAKQHMNIIKZ-WDEREUQCSA-N 1 0 304.316 0.758 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c1O ZINC000894504905 661975450 /nfs/dbraw/zinc/97/54/50/661975450.db2.gz YLZQANPZFIGAFJ-UHFFFAOYSA-N 1 0 314.407 0.690 20 10 DCCDRO COc1cc(C)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c1O ZINC000895254165 662156800 /nfs/dbraw/zinc/15/68/00/662156800.db2.gz OULVTWOGFGGZIC-YPMHNXCESA-N 1 0 315.391 0.611 20 10 DCCDRO COc1cc(C)cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c1O ZINC000895254162 662156815 /nfs/dbraw/zinc/15/68/15/662156815.db2.gz OULVTWOGFGGZIC-AAEUAGOBSA-N 1 0 315.391 0.611 20 10 DCCDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000897043321 662386490 /nfs/dbraw/zinc/38/64/90/662386490.db2.gz UURSIUHCFSLAPF-CYBMUJFWSA-N 1 0 308.353 0.994 20 10 DCCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000320938941 662569722 /nfs/dbraw/zinc/56/97/22/662569722.db2.gz LQWSUEKEISWDBV-OAHLLOKOSA-N 1 0 317.389 0.760 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)cc1C ZINC000988416325 662771102 /nfs/dbraw/zinc/77/11/02/662771102.db2.gz TYFYCLSVOAOGQO-JSGCOSHPSA-N 1 0 319.405 0.958 20 10 DCCDRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000911225707 664011411 /nfs/dbraw/zinc/01/14/11/664011411.db2.gz JBTVHQBGFGODRD-NSHDSACASA-N 1 0 304.394 0.537 20 10 DCCDRO COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015102015 664688765 /nfs/dbraw/zinc/68/87/65/664688765.db2.gz HSODXSLDDYODAP-DGCLKSJQSA-N 1 0 323.393 0.938 20 10 DCCDRO Cc1ccc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c(O)c1O ZINC000913678652 664712028 /nfs/dbraw/zinc/71/20/28/664712028.db2.gz QZKZPWOLLMMLLL-UHFFFAOYSA-N 1 0 308.378 0.935 20 10 DCCDRO C/C=C\[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838597 665184881 /nfs/dbraw/zinc/18/48/81/665184881.db2.gz KBMKKCBGAXUMDK-MJSXRHKHSA-N 1 0 303.406 0.992 20 10 DCCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000734068249 666845415 /nfs/dbraw/zinc/84/54/15/666845415.db2.gz BCHBLDKQWRURSI-ZDUSSCGKSA-N 1 0 322.409 0.446 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)NCCCSc1nccs1 ZINC000861743897 666970470 /nfs/dbraw/zinc/97/04/70/666970470.db2.gz QPURRMJSFGKKFO-UHFFFAOYSA-N 1 0 316.452 0.549 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000861767781 666976307 /nfs/dbraw/zinc/97/63/07/666976307.db2.gz WLQGVJQIKKAQMY-CYBMUJFWSA-N 1 0 320.437 0.955 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000884305329 667519639 /nfs/dbraw/zinc/51/96/39/667519639.db2.gz SOSGGCKKYVBZMC-HIFRSBDPSA-N 1 0 308.378 0.874 20 10 DCCDRO COc1ccc(N2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)c(OC)c1 ZINC000923413077 667529896 /nfs/dbraw/zinc/52/98/96/667529896.db2.gz CWZOHZHZCCXCRR-RCBQFDQVSA-N 1 0 321.421 0.676 20 10 DCCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000868399818 667566022 /nfs/dbraw/zinc/56/60/22/667566022.db2.gz CPXYFMMHCATYLO-TZMCWYRMSA-N 1 0 318.421 0.659 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000884633465 667580106 /nfs/dbraw/zinc/58/01/06/667580106.db2.gz KEJCEXSQGVPIMR-ZLDLUXBVSA-N 1 0 316.405 0.503 20 10 DCCDRO COC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)C[NH2+]CCO1 ZINC000876711890 668493401 /nfs/dbraw/zinc/49/34/01/668493401.db2.gz IBOIWBXXWGVYRX-MRXNPFEDSA-N 1 0 307.394 0.374 20 10 DCCDRO CN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccc(N)cc1 ZINC000877077760 668559449 /nfs/dbraw/zinc/55/94/49/668559449.db2.gz TZJKQWPWHBDODJ-GFCCVEGCSA-N 1 0 300.366 0.889 20 10 DCCDRO NC(=O)C1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000930340427 668998302 /nfs/dbraw/zinc/99/83/02/668998302.db2.gz DMWHRCGQLGINAI-UHFFFAOYSA-N 1 0 319.405 0.335 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC000930737419 669072795 /nfs/dbraw/zinc/07/27/95/669072795.db2.gz MOLNREKZEJVFMS-NVXWUHKLSA-N 1 0 306.406 0.698 20 10 DCCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CO ZINC000931398494 669191572 /nfs/dbraw/zinc/19/15/72/669191572.db2.gz PWMARTMASCMVTL-QGZVFWFLSA-N 1 0 305.422 0.632 20 10 DCCDRO Cn1nncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000808436582 669739450 /nfs/dbraw/zinc/73/94/50/669739450.db2.gz JWRKYPIFAQOMFH-UHFFFAOYSA-N 1 0 300.410 0.857 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3C[NH2+]C3)C2)cc1 ZINC000851663224 671007288 /nfs/dbraw/zinc/00/72/88/671007288.db2.gz WFBUTEKCPVQKBI-CYBMUJFWSA-N 1 0 304.394 0.793 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000851664494 671007598 /nfs/dbraw/zinc/00/75/98/671007598.db2.gz CBIXZMCEQRWHGT-OLZOCXBDSA-N 1 0 304.394 0.935 20 10 DCCDRO [NH3+][C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851680990 671012038 /nfs/dbraw/zinc/01/20/38/671012038.db2.gz MITIRRGDMYDOGT-AWEZNQCLSA-N 1 0 318.421 0.890 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000851684349 671012253 /nfs/dbraw/zinc/01/22/53/671012253.db2.gz GFYIHVSHEQGIIB-LBPRGKRZSA-N 1 0 318.421 0.409 20 10 DCCDRO COc1ccc(N2CC[C@@H](C[NH2+]CCC(=O)NC(N)=O)C2)cc1 ZINC000819379170 671115408 /nfs/dbraw/zinc/11/54/08/671115408.db2.gz CZEAOLPJDDIHRV-LBPRGKRZSA-N 1 0 320.393 0.696 20 10 DCCDRO [NH3+]C[C@@H]1CC(C(=O)NCCCSc2nccs2)=NO1 ZINC000852841204 671171900 /nfs/dbraw/zinc/17/19/00/671171900.db2.gz XUTJLCXKDOYVHV-QMMMGPOBSA-N 1 0 300.409 0.845 20 10 DCCDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852859361 671177150 /nfs/dbraw/zinc/17/71/50/671177150.db2.gz RXHOLKSTIPVCME-HOTGVXAUSA-N 1 0 319.405 0.503 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852895680 671189165 /nfs/dbraw/zinc/18/91/65/671189165.db2.gz GVJRQFXIVXVECK-CQSZACIVSA-N 1 0 320.393 0.693 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C3=NO[C@H](C[NH3+])C3)C2)cc1 ZINC000852899690 671189875 /nfs/dbraw/zinc/18/98/75/671189875.db2.gz BWFBQKNNQQNWPR-FZMZJTMJSA-N 1 0 318.377 0.494 20 10 DCCDRO O=C1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]2N1 ZINC000853558981 671245348 /nfs/dbraw/zinc/24/53/48/671245348.db2.gz QZGOASGXXJTDLH-WDBKCZKBSA-N 1 0 318.373 0.919 20 10 DCCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469519 671528630 /nfs/dbraw/zinc/52/86/30/671528630.db2.gz ZYIHXZDVDLFACG-YPMHNXCESA-N 1 0 304.394 0.352 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cnn(C)c2)cc1 ZINC000832279867 671713298 /nfs/dbraw/zinc/71/32/98/671713298.db2.gz MCIROKPMKLMMDB-OAHLLOKOSA-N 1 0 301.394 0.845 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000841651835 671947085 /nfs/dbraw/zinc/94/70/85/671947085.db2.gz BCTRIHBYPFIZGK-HNNXBMFYSA-N 1 0 306.410 0.930 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841731169 671951802 /nfs/dbraw/zinc/95/18/02/671951802.db2.gz ZTFLTXICOILTDM-ZSHCYNCHSA-N 1 0 316.405 0.540 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000841823370 671957478 /nfs/dbraw/zinc/95/74/78/671957478.db2.gz AEWNDLQZSQNILP-HNNXBMFYSA-N 1 0 306.410 0.849 20 10 DCCDRO COC[C@]1(CNC(=O)NCc2cccc(OC)c2O)CCC[NH2+]1 ZINC000841998286 671972213 /nfs/dbraw/zinc/97/22/13/671972213.db2.gz QTLYDYTZJRHVSS-MRXNPFEDSA-N 1 0 323.393 0.969 20 10 DCCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035156 671977596 /nfs/dbraw/zinc/97/75/96/671977596.db2.gz DOONHUJVWQMARZ-LBPRGKRZSA-N 1 0 304.394 0.189 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCSc1nccs1 ZINC000842091520 671982293 /nfs/dbraw/zinc/98/22/93/671982293.db2.gz FAZZTPTXAPNJHT-SECBINFHSA-N 1 0 316.452 0.453 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1F ZINC000842148740 671985969 /nfs/dbraw/zinc/98/59/69/671985969.db2.gz OBQYKJDVVKKJRL-ZDUSSCGKSA-N 1 0 322.384 0.361 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)NCCC[NH3+])ccc21 ZINC000842149751 671986002 /nfs/dbraw/zinc/98/60/02/671986002.db2.gz DMAOTKIMVPJJMG-UHFFFAOYSA-N 1 0 304.394 0.150 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000842152019 671986516 /nfs/dbraw/zinc/98/65/16/671986516.db2.gz DRFCIHULEKUSKI-GFCCVEGCSA-N 1 0 306.410 0.531 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000842153826 671986884 /nfs/dbraw/zinc/98/68/84/671986884.db2.gz QKIHLEFOAJIAES-UHFFFAOYSA-N 1 0 306.410 0.531 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202821 671994256 /nfs/dbraw/zinc/99/42/56/671994256.db2.gz LWBBMOURIHRBIE-DGCLKSJQSA-N 1 0 304.394 0.489 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[NH3+])cc1F ZINC000842209074 671994779 /nfs/dbraw/zinc/99/47/79/671994779.db2.gz HMNNULOCWAVNSB-UHFFFAOYSA-N 1 0 324.400 0.753 20 10 DCCDRO C[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842228689 671997518 /nfs/dbraw/zinc/99/75/18/671997518.db2.gz CKNQMJQMYJUJJU-GFCCVEGCSA-N 1 0 318.421 0.707 20 10 DCCDRO CC[NH+](CC)CCCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238237 671998824 /nfs/dbraw/zinc/99/88/24/671998824.db2.gz LNPOFWZNBAIFFR-UHFFFAOYSA-N 1 0 320.437 0.776 20 10 DCCDRO CN1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000843120483 672063964 /nfs/dbraw/zinc/06/39/64/672063964.db2.gz MXMBROZTFKLGIR-QGZVFWFLSA-N 1 0 304.438 0.598 20 10 DCCDRO CC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[NH2+]C1 ZINC000399242106 685275196 /nfs/dbraw/zinc/27/51/96/685275196.db2.gz JECTVBDBPYNFNO-UHFFFAOYSA-N 1 0 307.369 0.888 20 10 DCCDRO CC(C)([NH3+])CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001575354279 1163986178 /nfs/dbraw/zinc/98/61/78/1163986178.db2.gz VDJDZZUIHBDIHZ-UHFFFAOYSA-N 1 0 315.395 0.621 20 10 DCCDRO [NH3+]CCCn1ccc(C(=O)NCCc2ccc(O)c(O)c2)n1 ZINC001580304394 1165564858 /nfs/dbraw/zinc/56/48/58/1165564858.db2.gz OFTWNCICSHSDJP-UHFFFAOYSA-N 1 0 304.350 0.616 20 10 DCCDRO CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001609995513 1171133203 /nfs/dbraw/zinc/13/32/03/1171133203.db2.gz NSIPKRDHTZXVTO-UHFFFAOYSA-N 1 0 308.378 0.555 20 10 DCCDRO CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCO ZINC001715091140 1181685628 /nfs/dbraw/zinc/68/56/28/1181685628.db2.gz WKVZODRBVMDYQE-LLVKDONJSA-N 1 0 307.354 0.939 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc(=O)n(C)o2)cc1C ZINC001126297105 748392415 /nfs/dbraw/zinc/39/24/15/748392415.db2.gz DEVXKKWYSLWZTG-UHFFFAOYSA-N 1 0 319.361 0.815 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)cc1C ZINC001054505188 756519049 /nfs/dbraw/zinc/51/90/49/756519049.db2.gz FPYQEJFILSDORM-GXTWGEPZSA-N 1 0 319.405 0.816 20 10 DCCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CO1 ZINC001169338935 760652389 /nfs/dbraw/zinc/65/23/89/760652389.db2.gz IVDHGRNJNKDDAC-XHDPSFHLSA-N 1 0 323.345 0.981 20 10 DCCDRO COC[C@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133509769 764993321 /nfs/dbraw/zinc/99/33/21/764993321.db2.gz QBSVIVABEFQVIQ-HNNXBMFYSA-N 1 0 310.394 0.871 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C(N)=O)cc1C ZINC001135344469 765891150 /nfs/dbraw/zinc/89/11/50/765891150.db2.gz KXLUEEIDZSQQJG-NEPJUHHUSA-N 1 0 307.394 0.862 20 10 DCCDRO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H](O)C[NH3+] ZINC001117954535 766175918 /nfs/dbraw/zinc/17/59/18/766175918.db2.gz BUVRVFMQZCFNDU-AWEZNQCLSA-N 1 0 310.417 0.329 20 10 DCCDRO C[NH+]1CCN(C2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC001119630399 766755017 /nfs/dbraw/zinc/75/50/17/766755017.db2.gz PXMQFXFLDMAIFB-HWKANZROSA-N 1 0 317.389 0.569 20 10 DCCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144504033 766960699 /nfs/dbraw/zinc/96/06/99/766960699.db2.gz IZPHVEFYAJNTFA-VFZGTOFNSA-N 1 0 309.318 0.425 20 10 DCCDRO [NH3+]C[C@@H](O)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001121989510 767691750 /nfs/dbraw/zinc/69/17/50/767691750.db2.gz VJACFZVEYPEMOH-AWEZNQCLSA-N 1 0 309.435 0.566 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(OC)c1 ZINC001141031762 768562941 /nfs/dbraw/zinc/56/29/41/768562941.db2.gz KCVFUBBJIQPDAW-HOTGVXAUSA-N 1 0 311.378 0.975 20 10 DCCDRO C[NH+](C)CCN1CCN(Cc2cc(O)c(O)c(O)c2)CCC1=O ZINC001233016062 769344003 /nfs/dbraw/zinc/34/40/03/769344003.db2.gz FQTPNKKZENJXME-UHFFFAOYSA-N 1 0 323.393 0.399 20 10 DCCDRO O=c1[nH]c(=O)c2c([nH]1)CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233016519 769344027 /nfs/dbraw/zinc/34/40/27/769344027.db2.gz GQGUZNPNSVKEQK-UHFFFAOYSA-N 1 0 305.290 0.563 20 10 DCCDRO COc1cc(O)c(C[N@H+](C)C[C@H](O)CO)cc1Br ZINC001233137692 769348472 /nfs/dbraw/zinc/34/84/72/769348472.db2.gz QJDFDSDPRCQDQP-VIFPVBQESA-N 1 0 320.183 0.948 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)c(O)cc1O ZINC001236199413 769983622 /nfs/dbraw/zinc/98/36/22/769983622.db2.gz FIROXARCZUJCSI-SCZZXKLOSA-N 1 0 300.742 0.826 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@@H]1[NH3+] ZINC001236343837 769998941 /nfs/dbraw/zinc/99/89/41/769998941.db2.gz AXKSUUYANOOOOA-STQMWFEESA-N 1 0 305.378 0.447 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)cc1OC ZINC001236749507 770016987 /nfs/dbraw/zinc/01/69/87/770016987.db2.gz JBLNASXJTSTEGQ-HZPDHXFCSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1cc(C)c(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(O)c1 ZINC001236822324 770018973 /nfs/dbraw/zinc/01/89/73/770018973.db2.gz ZTUXLMSQZDUACW-UHFFFAOYSA-N 1 0 319.361 0.883 20 10 DCCDRO CN1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1=O ZINC001236932557 770024051 /nfs/dbraw/zinc/02/40/51/770024051.db2.gz RTXKWGLAXIFFSD-UHFFFAOYSA-N 1 0 320.412 0.852 20 10 DCCDRO CN1CCN(C(=O)CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001177719150 770531121 /nfs/dbraw/zinc/53/11/21/770531121.db2.gz UBWDIPKZUGCBOB-UHFFFAOYSA-N 1 0 303.406 0.875 20 10 DCCDRO COc1cc(C)c(C[N@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC001180103496 771063126 /nfs/dbraw/zinc/06/31/26/771063126.db2.gz RCHQRQPJKMOKOS-UHFFFAOYSA-N 1 0 308.378 1.000 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2cc(O)c(Br)cc2O)CC[C@H]1O ZINC001206102044 773047507 /nfs/dbraw/zinc/04/75/07/773047507.db2.gz LGJXSFLSSAEISL-NXEZZACHSA-N 1 0 317.183 0.754 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246087825 945334813 /nfs/dbraw/zinc/33/48/13/945334813.db2.gz ZSPXSGAAYHYXHK-UHTWSYAYSA-N 1 0 308.378 0.912 20 10 DCCDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)c1cccc(O)c1O)C2 ZINC001269607961 940741739 /nfs/dbraw/zinc/74/17/39/940741739.db2.gz NJGFLXAGFDFPCG-UHFFFAOYSA-N 1 0 305.378 0.417 20 10 DCCDRO C[NH+](C)CCN1CCC12CN(Cc1cc(O)c(O)cc1O)C2 ZINC001276516763 944196374 /nfs/dbraw/zinc/19/63/74/944196374.db2.gz PGTWFFZPIJKCOV-UHFFFAOYSA-N 1 0 307.394 0.625 20 10 DCCDRO Cn1cnc([C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]2C(N)=O)c1 ZINC001276915201 944592775 /nfs/dbraw/zinc/59/27/75/944592775.db2.gz ZZWYJUVHKQLYFI-VXGBXAGGSA-N 1 0 316.361 0.532 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)c(O)c1 ZINC001249201407 945624558 /nfs/dbraw/zinc/62/45/58/945624558.db2.gz RPWNFKPNMYHULO-UHFFFAOYSA-N 1 0 306.362 0.772 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CCO)CC2)cc1 ZINC001323623624 947148377 /nfs/dbraw/zinc/14/83/77/947148377.db2.gz CVQLXTLZWXZDAW-UHFFFAOYSA-N 1 0 305.338 0.693 20 10 DCCDRO CCOc1ccc(N2CC[NH+](CCC(=O)NC(N)=O)CC2)cc1 ZINC001261360351 947259807 /nfs/dbraw/zinc/25/98/07/947259807.db2.gz IVNDMGVTQYNLRR-UHFFFAOYSA-N 1 0 320.393 0.792 20 10 DCCDRO O=C(C(=O)N1Cc2cccc(O)c2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001261875766 947470376 /nfs/dbraw/zinc/47/03/76/947470376.db2.gz QLCIAOXDBARMDZ-KRWDZBQOSA-N 1 0 315.373 0.446 20 10 DCCDRO C[C@H](NC(=O)C[C@@H](O)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001263097927 947809073 /nfs/dbraw/zinc/80/90/73/947809073.db2.gz MPDOHUQJNGZQCU-SWLSCSKDSA-N 1 0 307.394 0.410 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@@H](C)C[NH2+]1 ZINC001325735434 947902513 /nfs/dbraw/zinc/90/25/13/947902513.db2.gz FGTSUTYQGOXKSF-NEPJUHHUSA-N 1 0 305.378 0.559 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC001331320896 951073543 /nfs/dbraw/zinc/07/35/43/951073543.db2.gz ZICZBIFECAKTDH-NWDGAFQWSA-N 1 0 306.410 0.783 20 10 DCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001331320898 951074088 /nfs/dbraw/zinc/07/40/88/951074088.db2.gz ZICZBIFECAKTDH-RYUDHWBXSA-N 1 0 306.410 0.783 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333447644 952066063 /nfs/dbraw/zinc/06/60/63/952066063.db2.gz HFNKWUSXGDCCGO-MQMHXKEQSA-N 1 0 319.405 0.984 20 10 DCCDRO COC(=O)N(C)CC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC001333722222 952141117 /nfs/dbraw/zinc/14/11/17/952141117.db2.gz OINYSEGTWRDFHB-ZDUSSCGKSA-N 1 0 310.350 0.948 20 10 DCCDRO COCCOC[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001336802131 952767186 /nfs/dbraw/zinc/76/71/86/952767186.db2.gz BHLHKPUAYWZGJI-GDBMZVCRSA-N 1 0 324.421 0.887 20 10 DCCDRO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)c1ccc(N2CCOCC2)cc1 ZINC001340062175 953141287 /nfs/dbraw/zinc/14/12/87/953141287.db2.gz MRPLTBYHDWPUNM-SWLSCSKDSA-N 1 0 321.421 0.799 20 10 DCCDRO [NH3+]CCNCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001341799133 953250996 /nfs/dbraw/zinc/25/09/96/953250996.db2.gz SUKLKUMBLKHIGS-CQSZACIVSA-N 1 0 307.394 0.448 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001343353310 953340379 /nfs/dbraw/zinc/34/03/79/953340379.db2.gz CHUYDIOOWNMLAN-XJKSGUPXSA-N 1 0 321.421 0.560 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(N)cc2)CC1=O ZINC001343473198 953348332 /nfs/dbraw/zinc/34/83/32/953348332.db2.gz MCTSKQRLVZFCPT-ZDUSSCGKSA-N 1 0 304.394 0.295 20 10 DCCDRO NC(=O)[C@H]1C[NH+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C(N)=O ZINC001353562140 956105690 /nfs/dbraw/zinc/10/56/90/956105690.db2.gz UBCOABLBIJOIRV-GJZGRUSLSA-N 1 0 316.405 0.305 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001468172089 1016230129 /nfs/dbraw/zinc/23/01/29/1016230129.db2.gz MQRSBJZIBAFABK-CYBMUJFWSA-N 1 0 308.378 0.603 20 10 DCCDRO COc1ccc(O)c(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)c1 ZINC001548670238 1012928320 /nfs/dbraw/zinc/92/83/20/1012928320.db2.gz ASHJCZMIBSLMPS-SMDDNHRTSA-N 1 0 305.378 0.405 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1F ZINC001461516848 1013025206 /nfs/dbraw/zinc/02/52/06/1013025206.db2.gz UPHHUDVQALEYBT-AWEZNQCLSA-N 1 0 316.398 0.531 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@]3(C)C[C@H](O)C[NH2+]3)ccc21 ZINC001521465199 1017378466 /nfs/dbraw/zinc/37/84/66/1017378466.db2.gz ZPFMPZGNFQHIOM-YOEHRIQHSA-N 1 0 303.406 0.798 20 10 DCCDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1O ZINC000378056723 239245893 /nfs/dbraw/zinc/24/58/93/239245893.db2.gz RNRJXNNWHMZXAJ-NWDGAFQWSA-N 1 0 306.362 0.999 20 10 DCCDRO COc1cccc(C[NH2+]CCNS(=O)(=O)NC(C)C)c1O ZINC000276941999 396039119 /nfs/dbraw/zinc/03/91/19/396039119.db2.gz AQBRUUGULJOILM-UHFFFAOYSA-N 1 0 317.411 0.323 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccccc1O ZINC000277012302 396043407 /nfs/dbraw/zinc/04/34/07/396043407.db2.gz CAOIYSQCHUUWFU-LLVKDONJSA-N 1 0 301.412 0.875 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)CCC[NH3+])CC2)cc1 ZINC000269313216 396406839 /nfs/dbraw/zinc/40/68/39/396406839.db2.gz XQRXQUOFAOCRCM-UHFFFAOYSA-N 1 0 320.437 0.672 20 10 DCCDRO COc1c(O)c(C[N@H+](CCO)CCCO)ccc1[N+](=O)[O-] ZINC000278297035 286187113 /nfs/dbraw/zinc/18/71/13/286187113.db2.gz VMGKVBREQKMOSG-UHFFFAOYSA-N 1 0 300.311 0.486 20 10 DCCDRO COCCNC(=O)CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000121268713 415798763 /nfs/dbraw/zinc/79/87/63/415798763.db2.gz KRUIUOSFVINCDK-UHFFFAOYSA-N 1 0 321.421 0.581 20 10 DCCDRO CCOc1cccc(C[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000230991643 416328077 /nfs/dbraw/zinc/32/80/77/416328077.db2.gz PDWPSMKDARCADF-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000529666293 417485080 /nfs/dbraw/zinc/48/50/80/417485080.db2.gz VNWMPAGRMORZPK-UHFFFAOYSA-N 1 0 319.405 0.871 20 10 DCCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3cccc(OC)c3O)CCN2C1=O ZINC000362007926 276146718 /nfs/dbraw/zinc/14/67/18/276146718.db2.gz DMQPFRBXNMGKLD-LBPRGKRZSA-N 1 0 319.361 0.869 20 10 DCCDRO CNC(=O)CN1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000237130488 524072042 /nfs/dbraw/zinc/07/20/42/524072042.db2.gz JOYLFDFNISTCPH-UHFFFAOYSA-N 1 0 307.394 0.701 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2COC(=O)N2)[NH+](C)C)cc1 ZINC000891246475 658077864 /nfs/dbraw/zinc/07/78/64/658077864.db2.gz OEPOXQJQAXNRML-ZIAGYGMSSA-N 1 0 320.393 0.580 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2COC(=O)N2)[NH+](C)C)cc1 ZINC000891246470 658078452 /nfs/dbraw/zinc/07/84/52/658078452.db2.gz OEPOXQJQAXNRML-KBPBESRZSA-N 1 0 320.393 0.580 20 10 DCCDRO COC(=O)[C@@]1(C[NH2+]Cc2ccccc2O)C[C@@H]1S(C)(=O)=O ZINC000895508209 662190657 /nfs/dbraw/zinc/19/06/57/662190657.db2.gz CREMQYQCMDCMKL-GXTWGEPZSA-N 1 0 313.375 0.458 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1 ZINC000897040188 662386469 /nfs/dbraw/zinc/38/64/69/662386469.db2.gz CMNDKNYSFQNYOV-ZDUSSCGKSA-N 1 0 320.389 0.864 20 10 DCCDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000897043322 662386540 /nfs/dbraw/zinc/38/65/40/662386540.db2.gz UURSIUHCFSLAPF-ZDUSSCGKSA-N 1 0 308.353 0.994 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccnn2C)c(O)c1OC ZINC000897301645 662438441 /nfs/dbraw/zinc/43/84/41/662438441.db2.gz PTNKEJHBNBYHRU-GFCCVEGCSA-N 1 0 307.350 0.966 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)cc1C ZINC000986096102 662553038 /nfs/dbraw/zinc/55/30/38/662553038.db2.gz DNHQVJPISZFQLL-TZMCWYRMSA-N 1 0 319.405 0.958 20 10 DCCDRO CCO[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C[NH+](C)C ZINC000900693047 663272609 /nfs/dbraw/zinc/27/26/09/663272609.db2.gz XQYMIRVSUVBLBJ-VIFPVBQESA-N 1 0 300.330 0.933 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H](N)C(F)F)cc1 ZINC000911667975 664097104 /nfs/dbraw/zinc/09/71/04/664097104.db2.gz VVGQBJGABZENNF-NEPJUHHUSA-N 1 0 300.353 0.851 20 10 DCCDRO COc1nccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000911667974 664097216 /nfs/dbraw/zinc/09/72/16/664097216.db2.gz VTVFPVOFWKUPKF-ZDUSSCGKSA-N 1 0 315.377 0.981 20 10 DCCDRO CN1CC[NH+](CCCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000071699799 666116757 /nfs/dbraw/zinc/11/67/57/666116757.db2.gz CEKWUUTYKFEUSZ-UHFFFAOYSA-N 1 0 304.438 0.955 20 10 DCCDRO COc1cc(C(=O)NC2CC[NH+](CCCO)CC2)cc(OC)n1 ZINC001003245545 666287505 /nfs/dbraw/zinc/28/75/05/666287505.db2.gz ZVUABSWTXSEBLR-UHFFFAOYSA-N 1 0 323.393 0.675 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)CS(C)(=O)=O)c(Cl)c1 ZINC000922822478 666535608 /nfs/dbraw/zinc/53/56/08/666535608.db2.gz GUMZZDPYJOUJRB-VIFPVBQESA-N 1 0 307.799 0.849 20 10 DCCDRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(F)ccc1O ZINC000866551686 667380584 /nfs/dbraw/zinc/38/05/84/667380584.db2.gz BYAYXLCDPNMXEM-BZNIZROVSA-N 1 0 324.352 0.810 20 10 DCCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c1 ZINC000866555082 667381107 /nfs/dbraw/zinc/38/11/07/667381107.db2.gz VRNIQDMGJFPSRW-GUYCJALGSA-N 1 0 320.389 0.979 20 10 DCCDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)CC2 ZINC000922994419 667456155 /nfs/dbraw/zinc/45/61/55/667456155.db2.gz UJJGEXADLQUTEH-JTQLQIEISA-N 1 0 302.334 0.897 20 10 DCCDRO [NH3+][C@]1(CO)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923473205 667542462 /nfs/dbraw/zinc/54/24/62/667542462.db2.gz KRMHBOGVUZVPPF-QGZVFWFLSA-N 1 0 305.422 0.809 20 10 DCCDRO Cc1ccc(O)c(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1 ZINC000886284325 667751697 /nfs/dbraw/zinc/75/16/97/667751697.db2.gz UDMLYJTYHKLXKT-UHFFFAOYSA-N 1 0 313.361 0.774 20 10 DCCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000757979665 668152697 /nfs/dbraw/zinc/15/26/97/668152697.db2.gz RVFRSZBFHITCSQ-INIZCTEOSA-N 1 0 310.369 0.903 20 10 DCCDRO OC1CCN(c2ccc(CN[C@@H]3C[NH2+]CCOC3)cc2F)CC1 ZINC000925500372 668164860 /nfs/dbraw/zinc/16/48/60/668164860.db2.gz DVVNETITBXETFW-CQSZACIVSA-N 1 0 323.412 0.865 20 10 DCCDRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506420 668458070 /nfs/dbraw/zinc/45/80/70/668458070.db2.gz JXCUMUCACIXSHJ-JKSUJKDBSA-N 1 0 318.421 0.880 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876712820 668493006 /nfs/dbraw/zinc/49/30/06/668493006.db2.gz CLRKCBHHAAIYOU-INIZCTEOSA-N 1 0 320.437 0.371 20 10 DCCDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464292 668610631 /nfs/dbraw/zinc/61/06/31/668610631.db2.gz PPEBBMSCQPOGSL-SUNKGSAMSA-N 1 0 304.346 0.671 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1O ZINC000877592396 668631764 /nfs/dbraw/zinc/63/17/64/668631764.db2.gz OHXNTIZRFDWZRT-YJBOKZPZSA-N 1 0 320.433 0.823 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1F ZINC000877721109 668642378 /nfs/dbraw/zinc/64/23/78/668642378.db2.gz VODXLPYSPRNOJT-TXEJJXNPSA-N 1 0 305.353 0.938 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(N)=O)CC2)cc1OC ZINC000775668466 668866454 /nfs/dbraw/zinc/86/64/54/668866454.db2.gz AKOCXVZSBIMKPK-UHFFFAOYSA-N 1 0 309.366 0.996 20 10 DCCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](n3cncn3)C1)[C@H](O)CO2 ZINC000776777854 668881178 /nfs/dbraw/zinc/88/11/78/668881178.db2.gz RQSKMQLHUHMZIZ-BXUZGUMPSA-N 1 0 302.334 0.857 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1 ZINC000878981133 668960542 /nfs/dbraw/zinc/96/05/42/668960542.db2.gz GBLHXMLVROCMJA-RDJZCZTQSA-N 1 0 321.421 0.186 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1 ZINC000931660275 669242653 /nfs/dbraw/zinc/24/26/53/669242653.db2.gz DMXHLFOMXYPTCO-OAHLLOKOSA-N 1 0 318.421 0.483 20 10 DCCDRO C[C@@H]([NH3+])c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094680 669296854 /nfs/dbraw/zinc/29/68/54/669296854.db2.gz PMCIASIDQXCWGJ-LLVKDONJSA-N 1 0 302.382 0.680 20 10 DCCDRO COC(=O)NCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850590 669398959 /nfs/dbraw/zinc/39/89/59/669398959.db2.gz ZDIIJPBWEHNRSN-UHFFFAOYSA-N 1 0 320.393 0.411 20 10 DCCDRO CC[NH+]1CCN(CC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000794379389 669828840 /nfs/dbraw/zinc/82/88/40/669828840.db2.gz QTXUCAQBDRWLKX-UHFFFAOYSA-N 1 0 307.394 0.655 20 10 DCCDRO CN(C)S(=O)(=O)N1CC([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000858311077 670992052 /nfs/dbraw/zinc/99/20/52/670992052.db2.gz ANFPUCNOSWGZAE-UHFFFAOYSA-N 1 0 319.814 0.626 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000851684577 671012318 /nfs/dbraw/zinc/01/23/18/671012318.db2.gz JKVNWUIVVCAAPO-CYBMUJFWSA-N 1 0 316.405 0.403 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1F ZINC000851686081 671013805 /nfs/dbraw/zinc/01/38/05/671013805.db2.gz ZOLOFNAYKYXZEY-UHFFFAOYSA-N 1 0 324.400 0.704 20 10 DCCDRO COc1ccc(N(C)CCN(C)c2nc(N)[nH+]c(N)n2)cc1 ZINC000858605453 671020652 /nfs/dbraw/zinc/02/06/52/671020652.db2.gz TZRDNIREYGVTAC-UHFFFAOYSA-N 1 0 303.370 0.617 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C(=O)CN(C)C2=O)c1 ZINC000851900280 671053813 /nfs/dbraw/zinc/05/38/13/671053813.db2.gz QRPJTKVCDJNKGY-SNVBAGLBSA-N 1 0 307.350 0.945 20 10 DCCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818973645 671081790 /nfs/dbraw/zinc/08/17/90/671081790.db2.gz UGAURARFKXSSGS-UHFFFAOYSA-N 1 0 306.366 0.198 20 10 DCCDRO C[C@H](NNC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ncnn1C ZINC000852791830 671160570 /nfs/dbraw/zinc/16/05/70/671160570.db2.gz NEUKSZFURBYMCM-SMDDNHRTSA-N 1 0 303.414 0.736 20 10 DCCDRO [NH3+]C[C@H]1CC(C(=O)NCc2c(O)ccc3c2CCCC3)=NO1 ZINC000852884588 671184512 /nfs/dbraw/zinc/18/45/12/671184512.db2.gz LYZZHHMDEIMYNY-LLVKDONJSA-N 1 0 303.362 0.991 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852895679 671189217 /nfs/dbraw/zinc/18/92/17/671189217.db2.gz GVJRQFXIVXVECK-AWEZNQCLSA-N 1 0 320.393 0.693 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000827205162 671518350 /nfs/dbraw/zinc/51/83/50/671518350.db2.gz HDDJZAKIAHBHRT-CYBMUJFWSA-N 1 0 305.378 0.609 20 10 DCCDRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000830091161 671612624 /nfs/dbraw/zinc/61/26/24/671612624.db2.gz MAFMFPXMQCDPIW-HUUCEWRRSA-N 1 0 307.394 0.372 20 10 DCCDRO COc1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000832272954 671712818 /nfs/dbraw/zinc/71/28/18/671712818.db2.gz KJPAMZRDUXYHAG-AWEZNQCLSA-N 1 0 315.377 0.981 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000832266814 671712830 /nfs/dbraw/zinc/71/28/30/671712830.db2.gz JEKDPDVIEIBHST-LLVKDONJSA-N 1 0 318.337 0.814 20 10 DCCDRO CNC(=O)C1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832280550 671713028 /nfs/dbraw/zinc/71/30/28/671713028.db2.gz PLPVMLYLRHQUPA-CYBMUJFWSA-N 1 0 304.394 0.395 20 10 DCCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)n1cncn1 ZINC000832280190 671713112 /nfs/dbraw/zinc/71/31/12/671713112.db2.gz NTUYMXCPHLRXJZ-SMDDNHRTSA-N 1 0 302.382 0.721 20 10 DCCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000840959500 671908086 /nfs/dbraw/zinc/90/80/86/671908086.db2.gz XAFCRXZQOUNERC-GFCCVEGCSA-N 1 0 308.378 0.937 20 10 DCCDRO [NH3+]CCN(CCO)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709465 671951035 /nfs/dbraw/zinc/95/10/35/671951035.db2.gz GSFXEVCHMNZVCM-UHFFFAOYSA-N 1 0 306.410 0.749 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)cc1F ZINC000842147893 671985777 /nfs/dbraw/zinc/98/57/77/671985777.db2.gz IGNCXTQHTDOECL-UHFFFAOYSA-N 1 0 322.384 0.458 20 10 DCCDRO CN(C)c1ccc(CN(C(=O)C(=O)NCCC[NH3+])C2CC2)cc1 ZINC000842222452 671996671 /nfs/dbraw/zinc/99/66/71/671996671.db2.gz JRYKKJAZRQQMPM-UHFFFAOYSA-N 1 0 318.421 0.709 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000842227095 671996895 /nfs/dbraw/zinc/99/68/95/671996895.db2.gz YHWHPAMONJSFFI-ZDUSSCGKSA-N 1 0 305.378 0.609 20 10 DCCDRO COc1c([O-])c(C[N@H+](C)CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843052438 672056597 /nfs/dbraw/zinc/05/65/97/672056597.db2.gz KYMPFTMNCOOLJB-UHFFFAOYSA-N 1 0 324.381 0.646 20 10 DCCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000843261895 672076832 /nfs/dbraw/zinc/07/68/32/672076832.db2.gz NLVDSPOQEKWTPA-GHMZBOCLSA-N 1 0 324.400 0.750 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC(=O)NC2)cc1 ZINC000843299703 672080224 /nfs/dbraw/zinc/08/02/24/672080224.db2.gz WAXZRGVFVRLDGH-JSGCOSHPSA-N 1 0 304.394 0.395 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843997400 672134859 /nfs/dbraw/zinc/13/48/59/672134859.db2.gz FHTDMYBPDWPOEF-QDOCKXBDSA-N 1 0 304.346 0.388 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844172564 672157210 /nfs/dbraw/zinc/15/72/10/672157210.db2.gz JGINDSUTTSSQND-VIKVFOODSA-N 1 0 319.380 0.744 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c1O ZINC000846172643 672299146 /nfs/dbraw/zinc/29/91/46/672299146.db2.gz ZTEHTRFHLQWNNT-QMTHXVAHSA-N 1 0 315.391 0.601 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O ZINC000871202621 685392107 /nfs/dbraw/zinc/39/21/07/685392107.db2.gz JVKHKUKJYVNEAA-ZDUSSCGKSA-N 1 0 317.389 0.645 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)cc1C ZINC001569015768 1160917789 /nfs/dbraw/zinc/91/77/89/1160917789.db2.gz YSEOUWNBWCOPAQ-DGCLKSJQSA-N 1 0 320.393 0.279 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1=NOC2(C[NH2+]C2)C1 ZINC001579617088 1165358502 /nfs/dbraw/zinc/35/85/02/1165358502.db2.gz LRVOAQDARMRHLR-UHFFFAOYSA-N 1 0 302.378 0.796 20 10 DCCDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CN1C1C[NH2+]C1 ZINC001580838234 1165732074 /nfs/dbraw/zinc/73/20/74/1165732074.db2.gz OUNOHZVMXRVZGJ-VIFPVBQESA-N 1 0 313.760 0.847 20 10 DCCDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-])C(=O)NCCF ZINC001603652148 1169342960 /nfs/dbraw/zinc/34/29/60/1169342960.db2.gz XDHGBXFABDLDSB-RKDXNWHRSA-N 1 0 322.344 0.697 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CO)C(C)C)cc2=O ZINC001655155674 1173816497 /nfs/dbraw/zinc/81/64/97/1173816497.db2.gz CVGWKWLAFZJTIN-LBPRGKRZSA-N 1 0 322.365 0.718 20 10 DCCDRO C[C@H]([NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1)c1ccccc1O ZINC001655349284 1173818676 /nfs/dbraw/zinc/81/86/76/1173818676.db2.gz GERFVSXDGVBXLK-QMMMGPOBSA-N 1 0 300.322 0.556 20 10 DCCDRO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)c(O)c1OC ZINC001659110629 1173929660 /nfs/dbraw/zinc/92/96/60/1173929660.db2.gz CUWGHXRFZWBNMW-DGCLKSJQSA-N 1 0 311.378 0.832 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C(N)=O)cc1C ZINC001717736281 1182973059 /nfs/dbraw/zinc/97/30/59/1182973059.db2.gz OHDOMKYTHKKOMK-AWEZNQCLSA-N 1 0 319.405 0.816 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2)cc1C ZINC001124815069 751718133 /nfs/dbraw/zinc/71/81/33/751718133.db2.gz WISKMOIAUPUSLM-CYBMUJFWSA-N 1 0 305.378 0.488 20 10 DCCDRO COc1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c1O ZINC000697271702 749521801 /nfs/dbraw/zinc/52/18/01/749521801.db2.gz YVASWVFPMBXRQM-JQWIXIFHSA-N 1 0 301.364 0.302 20 10 DCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000697271680 749521946 /nfs/dbraw/zinc/52/19/46/749521946.db2.gz YHEYVDSDMQHIER-DGCLKSJQSA-N 1 0 301.364 0.302 20 10 DCCDRO O=C(CNC(=O)C1=CC(=O)CS1)NCC[NH+]1CCCCC1 ZINC000827839077 758889023 /nfs/dbraw/zinc/88/90/23/758889023.db2.gz JHWQRZKGQHHUCI-UHFFFAOYSA-N 1 0 311.407 0.786 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3COC[C@@H]3O)cc2F)CC1 ZINC001119303896 766630288 /nfs/dbraw/zinc/63/02/88/766630288.db2.gz LKTVWDUIPWVZMY-ZBFHGGJFSA-N 1 0 309.385 0.427 20 10 DCCDRO C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)[N@H+]1CCO ZINC001140911166 768554480 /nfs/dbraw/zinc/55/44/80/768554480.db2.gz AYHOXIYVUYSQOP-TXEJJXNPSA-N 1 0 308.378 0.554 20 10 DCCDRO CN(C)c1ccc(C[N@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC001232834127 769336506 /nfs/dbraw/zinc/33/65/06/769336506.db2.gz HOKUMQOUEPDOKV-UHFFFAOYSA-N 1 0 307.394 0.749 20 10 DCCDRO COC(=O)[C@@H]1CN(C)CCN1Cc1c(O)ccc(F)c1F ZINC001233336210 769360285 /nfs/dbraw/zinc/36/02/85/769360285.db2.gz CHNORXPFZZIROO-NSHDSACASA-N 1 0 300.305 0.959 20 10 DCCDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233484118 769368813 /nfs/dbraw/zinc/36/88/13/769368813.db2.gz YWDRQBHTWZNJNX-GDBMZVCRSA-N 1 0 322.361 0.530 20 10 DCCDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O ZINC001153037726 769701266 /nfs/dbraw/zinc/70/12/66/769701266.db2.gz SEQIJWUSWKQJCA-MRVPVSSYSA-N 1 0 306.326 0.042 20 10 DCCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001236173347 769980962 /nfs/dbraw/zinc/98/09/62/769980962.db2.gz JTMKDBQGKQRRHU-CQSZACIVSA-N 1 0 309.435 0.454 20 10 DCCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202702 770034271 /nfs/dbraw/zinc/03/42/71/770034271.db2.gz JULMUUNVKVLCRZ-CJNGLKHVSA-N 1 0 324.446 0.877 20 10 DCCDRO O=C(CNc1ncnc2c1CC[NH2+]CC2)c1ccc(O)c(O)c1 ZINC001159272151 771888777 /nfs/dbraw/zinc/88/87/77/771888777.db2.gz KBCOONPOHHXHMR-UHFFFAOYSA-N 1 0 314.345 0.871 20 10 DCCDRO N[C@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CCC[NH2+]C1 ZINC001160924702 772138329 /nfs/dbraw/zinc/13/83/29/772138329.db2.gz PDUPSVOFQBRMFN-MRXNPFEDSA-N 1 0 305.378 0.454 20 10 DCCDRO N[C@@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CCC[NH2+]C1 ZINC001160924701 772138778 /nfs/dbraw/zinc/13/87/78/772138778.db2.gz PDUPSVOFQBRMFN-INIZCTEOSA-N 1 0 305.378 0.454 20 10 DCCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001205197318 772982489 /nfs/dbraw/zinc/98/24/89/772982489.db2.gz KZFQGMKKRXFIFD-CZUORRHYSA-N 1 0 323.462 0.843 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1O ZINC001206518656 773083259 /nfs/dbraw/zinc/08/32/59/773083259.db2.gz CUUPAMCTSSSEDU-UFBFGSQYSA-N 1 0 301.184 0.906 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2nc[nH]n2)cc1C ZINC001483282886 942236596 /nfs/dbraw/zinc/23/65/96/942236596.db2.gz BZSHWRLRZLQSCK-LBPRGKRZSA-N 1 0 317.393 0.959 20 10 DCCDRO C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC001276537123 944200785 /nfs/dbraw/zinc/20/07/85/944200785.db2.gz CLVMGAOJDOGMMI-HOTGVXAUSA-N 1 0 323.412 0.978 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccn[nH]2)cc1C ZINC001485977463 944443150 /nfs/dbraw/zinc/44/31/50/944443150.db2.gz SRGXCDMCVZHCTI-CYBMUJFWSA-N 1 0 318.377 0.607 20 10 DCCDRO O=C(NCC1COC1)C12CC([NH2+]Cc3ccc(O)c(O)c3)(C1)C2 ZINC001276914788 944591960 /nfs/dbraw/zinc/59/19/60/944591960.db2.gz VCUWYILLTSHUDL-UHFFFAOYSA-N 1 0 318.373 0.873 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC001249171929 945621883 /nfs/dbraw/zinc/62/18/83/945621883.db2.gz HJISNLMMXPXYAI-CYBMUJFWSA-N 1 0 306.362 0.805 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC001249201293 945625324 /nfs/dbraw/zinc/62/53/24/945625324.db2.gz NEWFNWNXXCUBDB-CYBMUJFWSA-N 1 0 306.362 0.948 20 10 DCCDRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1Cc2cccc(O)c2C1 ZINC001261875634 947470657 /nfs/dbraw/zinc/47/06/57/947470657.db2.gz MPWVQHLRHQBSDE-BETUJISGSA-N 1 0 315.373 0.587 20 10 DCCDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261876104 947470672 /nfs/dbraw/zinc/47/06/72/947470672.db2.gz ZCUAOMAKLFYNJZ-MRXNPFEDSA-N 1 0 303.362 0.432 20 10 DCCDRO COc1cccc(CNC(=O)NCCN2CCC([NH3+])CC2)c1O ZINC001262592536 947735786 /nfs/dbraw/zinc/73/57/86/947735786.db2.gz UNPUHYSHRACAKM-UHFFFAOYSA-N 1 0 322.409 0.623 20 10 DCCDRO Nc1ccc(CC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC001326164658 948079493 /nfs/dbraw/zinc/07/94/93/948079493.db2.gz FLWDNLTWZNOPEC-OAHLLOKOSA-N 1 0 314.393 0.725 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C(N)=O)C3)cc2F)CC1 ZINC001328707891 949039232 /nfs/dbraw/zinc/03/92/32/949039232.db2.gz IHXFZFKFKDBZII-OKILXGFUSA-N 1 0 320.412 0.931 20 10 DCCDRO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C[NH2+]1 ZINC001329116672 949367122 /nfs/dbraw/zinc/36/71/22/949367122.db2.gz ULUMPWCLWZKASD-YPMHNXCESA-N 1 0 305.378 0.607 20 10 DCCDRO Oc1cc(O)c(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275112991 951961405 /nfs/dbraw/zinc/96/14/05/951961405.db2.gz WJVKYAGIVQRXBT-UHFFFAOYSA-N 1 0 316.361 0.844 20 10 DCCDRO O=C(C(=O)N1CCC[C@]12CC[NH2+]C2)N1Cc2cccc(O)c2C1 ZINC001335303175 952515751 /nfs/dbraw/zinc/51/57/51/952515751.db2.gz GBFZJBGBQGTOGL-QGZVFWFLSA-N 1 0 315.373 0.589 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001335832428 952607487 /nfs/dbraw/zinc/60/74/87/952607487.db2.gz ONELRAIXUQSPEO-AWEZNQCLSA-N 1 0 319.405 0.999 20 10 DCCDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@@H](CO)C2=O)[NH+](C)C)cc1 ZINC001336935425 952785982 /nfs/dbraw/zinc/78/59/82/952785982.db2.gz PLWVCGYLGZYUEE-UONOGXRCSA-N 1 0 320.393 0.268 20 10 DCCDRO COc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)c(O)c1 ZINC001340319463 953161255 /nfs/dbraw/zinc/16/12/55/953161255.db2.gz AEZXBFOKTDIJSY-WBMJQRKESA-N 1 0 306.362 0.643 20 10 DCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001346381445 953873747 /nfs/dbraw/zinc/87/37/47/953873747.db2.gz NASHESCYLGZVKH-MLGOLLRUSA-N 1 0 320.412 0.896 20 10 DCCDRO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1C[N@H+](C)CCN1C ZINC001346768835 953957687 /nfs/dbraw/zinc/95/76/87/953957687.db2.gz ZWAUOALATXAJBM-SMDDNHRTSA-N 1 0 324.400 0.965 20 10 DCCDRO CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC001348713777 954441537 /nfs/dbraw/zinc/44/15/37/954441537.db2.gz DZDVIKZYCLQMBF-UHFFFAOYSA-N 1 0 303.362 0.445 20 10 DCCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C1 ZINC001467369135 1016161293 /nfs/dbraw/zinc/16/12/93/1016161293.db2.gz HYUZLALFPNSAGQ-RYUDHWBXSA-N 1 0 308.378 0.554 20 10 DCCDRO CC(C)CN1C(=O)C(=CNCCC[NH+](C)C)C(=O)NC1=S ZINC000072680363 191213216 /nfs/dbraw/zinc/21/32/16/191213216.db2.gz QDGKBRMDWKHXIB-FLIBITNWSA-N 1 0 312.439 0.311 20 10 DCCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000270989025 395829109 /nfs/dbraw/zinc/82/91/09/395829109.db2.gz BCUPPFOMIGKCDL-LBPRGKRZSA-N 1 0 308.378 0.725 20 10 DCCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000053772516 395888961 /nfs/dbraw/zinc/88/89/61/395888961.db2.gz BWKUZDSTIURNBM-GFCCVEGCSA-N 1 0 320.393 0.791 20 10 DCCDRO COC(=O)CN(CCN1CCOCC1)Cc1ccccc1O ZINC000179573393 396228354 /nfs/dbraw/zinc/22/83/54/396228354.db2.gz GHIOSTSZXCVTKA-UHFFFAOYSA-N 1 0 308.378 0.699 20 10 DCCDRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1O ZINC000264620639 396297228 /nfs/dbraw/zinc/29/72/28/396297228.db2.gz QXKQHMAVRFPQOI-OCCSQVGLSA-N 1 0 319.405 0.936 20 10 DCCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(OC)c1O ZINC000295123150 415883189 /nfs/dbraw/zinc/88/31/89/415883189.db2.gz WWMJWVFUCCBHOG-LLVKDONJSA-N 1 0 302.396 0.818 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)[C@H](C)[NH3+])CC2)cc1 ZINC000272505284 334035834 /nfs/dbraw/zinc/03/58/34/334035834.db2.gz WOEUNDJPUUPBDM-ZDUSSCGKSA-N 1 0 306.410 0.281 20 10 DCCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000181561666 520046487 /nfs/dbraw/zinc/04/64/87/520046487.db2.gz GQLUIYVLOMAYBU-ZDUSSCGKSA-N 1 0 314.407 0.914 20 10 DCCDRO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(OC)ccc3O)CCN2C1=O ZINC000378442776 528955748 /nfs/dbraw/zinc/95/57/48/528955748.db2.gz PLXFWNOAWVBERT-CYBMUJFWSA-N 1 0 319.361 0.869 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000318326919 661190014 /nfs/dbraw/zinc/19/00/14/661190014.db2.gz TYNJLKLHGIPPCV-OAHLLOKOSA-N 1 0 307.394 0.708 20 10 DCCDRO Cc1ccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c(O)c1O ZINC000888987793 657468667 /nfs/dbraw/zinc/46/86/67/657468667.db2.gz ASYIPFMMSGGDDM-UHFFFAOYSA-N 1 0 307.394 0.726 20 10 DCCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)cc(OC)n1 ZINC001022367950 657803079 /nfs/dbraw/zinc/80/30/79/657803079.db2.gz NBQQTPSQANGUTK-JLLWLGSASA-N 1 0 309.366 0.330 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCNC2=O)[NH+](C)C)cc1 ZINC000891247731 658079211 /nfs/dbraw/zinc/07/92/11/658079211.db2.gz JYENGQKCHVIOPB-CABCVRRESA-N 1 0 318.421 0.608 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCO)[C@H](C)C2)cc(OC)n1 ZINC000947498555 658402866 /nfs/dbraw/zinc/40/28/66/658402866.db2.gz VUBIONCZRMKGHY-YPMHNXCESA-N 1 0 323.393 0.674 20 10 DCCDRO O=C(NCCCSc1nccs1)NC[C@H]1C[NH2+]CCO1 ZINC000841855563 661854482 /nfs/dbraw/zinc/85/44/82/661854482.db2.gz BNFMZBABXSXDCS-SNVBAGLBSA-N 1 0 316.452 0.913 20 10 DCCDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000899893938 663198571 /nfs/dbraw/zinc/19/85/71/663198571.db2.gz XPABKCHNFNAYMQ-UHFFFAOYSA-N 1 0 313.379 0.288 20 10 DCCDRO COc1cccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1O ZINC000901128566 663322057 /nfs/dbraw/zinc/32/20/57/663322057.db2.gz XZYCOIZDWMLQRV-MRXNPFEDSA-N 1 0 308.378 0.864 20 10 DCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCO)CC2)cc1 ZINC000902785927 663432397 /nfs/dbraw/zinc/43/23/97/663432397.db2.gz YBBVMPWWDJQDTC-UHFFFAOYSA-N 1 0 321.421 0.706 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)NCC3([NH3+])CC3)ccc21 ZINC000911110281 663984891 /nfs/dbraw/zinc/98/48/91/663984891.db2.gz ACMMJPAGZPOQQD-UHFFFAOYSA-N 1 0 316.405 0.293 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911122729 663986190 /nfs/dbraw/zinc/98/61/90/663986190.db2.gz DKKRTFLFSQRNTN-MQMHXKEQSA-N 1 0 318.421 0.531 20 10 DCCDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2=CC(=O)CS2)C1 ZINC000732282734 664911835 /nfs/dbraw/zinc/91/18/35/664911835.db2.gz MEPBSHSAWAFYLW-JTQLQIEISA-N 1 0 311.407 0.771 20 10 DCCDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2=CC(=O)CS2)C1 ZINC000732282737 664911856 /nfs/dbraw/zinc/91/18/56/664911856.db2.gz MEPBSHSAWAFYLW-SNVBAGLBSA-N 1 0 311.407 0.771 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000917198376 665121419 /nfs/dbraw/zinc/12/14/19/665121419.db2.gz AHEWICACNRVPBC-GJZGRUSLSA-N 1 0 302.422 0.520 20 10 DCCDRO CO[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCS(=O)(=O)C1 ZINC000922614054 666495253 /nfs/dbraw/zinc/49/52/53/666495253.db2.gz BWIQIQRRFLTLLY-OAHLLOKOSA-N 1 0 311.403 0.915 20 10 DCCDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000734068248 666845506 /nfs/dbraw/zinc/84/55/06/666845506.db2.gz BCHBLDKQWRURSI-CYBMUJFWSA-N 1 0 322.409 0.446 20 10 DCCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000862474710 667045823 /nfs/dbraw/zinc/04/58/23/667045823.db2.gz YULOSIPNDYEJSU-OAHLLOKOSA-N 1 0 309.318 0.885 20 10 DCCDRO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccccc1O ZINC000866556015 667381546 /nfs/dbraw/zinc/38/15/46/667381546.db2.gz PITOGDKYYQOPEB-WBMJQRKESA-N 1 0 306.362 0.671 20 10 DCCDRO C[NH2+]C[C@](C)(O)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000866697148 667388240 /nfs/dbraw/zinc/38/82/40/667388240.db2.gz HMJUEFJFPPLGLJ-KRWDZBQOSA-N 1 0 323.437 0.796 20 10 DCCDRO C[NH+](C)CCn1cc(C(=O)NCc2ccc(O)c(O)c2)cn1 ZINC000866770621 667396801 /nfs/dbraw/zinc/39/68/01/667396801.db2.gz ZXNZSCOKQSXBMU-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1O ZINC000839089788 667729983 /nfs/dbraw/zinc/72/99/83/667729983.db2.gz CERBFTQCQYCVHY-UHFFFAOYSA-N 1 0 307.803 0.531 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCOC2=O)cc1 ZINC000876505773 668457430 /nfs/dbraw/zinc/45/74/30/668457430.db2.gz BDONTOFWFNJGKK-CYBMUJFWSA-N 1 0 306.366 0.321 20 10 DCCDRO CC[C@@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507288 668458019 /nfs/dbraw/zinc/45/80/19/668458019.db2.gz ZVZHPLRSAUPFAI-WMLDXEAASA-N 1 0 318.421 0.785 20 10 DCCDRO CC(C)(O)C[NH+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768447517 668608636 /nfs/dbraw/zinc/60/86/36/668608636.db2.gz RBDNSDFPIRIUMH-OAHLLOKOSA-N 1 0 322.405 0.707 20 10 DCCDRO CC1(C(N)=O)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877602979 668632608 /nfs/dbraw/zinc/63/26/08/668632608.db2.gz AZAGLZXZZMHUSC-UHFFFAOYSA-N 1 0 303.406 0.955 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000769385129 668645443 /nfs/dbraw/zinc/64/54/43/668645443.db2.gz SYACGIIVXFAICX-LLVKDONJSA-N 1 0 314.407 0.901 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000769427219 668648229 /nfs/dbraw/zinc/64/82/29/668648229.db2.gz IXYADUMLERSWSV-NSHDSACASA-N 1 0 300.380 0.654 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000769458626 668649657 /nfs/dbraw/zinc/64/96/57/668649657.db2.gz WSQSTGXAMYGHRH-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1 ZINC000775370782 668861315 /nfs/dbraw/zinc/86/13/15/668861315.db2.gz IIAKPKNFWUYEAK-GHMZBOCLSA-N 1 0 323.393 0.644 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)c1 ZINC000930217524 668978671 /nfs/dbraw/zinc/97/86/71/668978671.db2.gz XFAZPNNCOKPCMJ-MKBNYLNASA-N 1 0 311.378 0.954 20 10 DCCDRO COCCCS(=O)(=O)NCC[NH2+][C@H](C)c1ccccc1O ZINC000879648239 669081195 /nfs/dbraw/zinc/08/11/95/669081195.db2.gz GFGNWJNXSUQSMP-GFCCVEGCSA-N 1 0 316.423 0.999 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC(=O)O3)cc2)CC1 ZINC000881854530 669398895 /nfs/dbraw/zinc/39/88/95/669398895.db2.gz FSSXOHDGNOKKMP-OAHLLOKOSA-N 1 0 317.389 0.760 20 10 DCCDRO COC[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC ZINC000789576260 669502077 /nfs/dbraw/zinc/50/20/77/669502077.db2.gz QDKBSXLFEZCPLQ-MRXNPFEDSA-N 1 0 321.421 0.716 20 10 DCCDRO [NH3+]C[C@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F ZINC000848597562 670701034 /nfs/dbraw/zinc/70/10/34/670701034.db2.gz PTJORLAPYDJMLW-JTQLQIEISA-N 1 0 307.272 0.829 20 10 DCCDRO O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[N@@H+]2C1 ZINC000848926623 670741335 /nfs/dbraw/zinc/74/13/35/670741335.db2.gz UHNPELNCLKAIIY-ZWKOTPCHSA-N 1 0 317.433 0.774 20 10 DCCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cccc(O)c1O ZINC000855695739 670747365 /nfs/dbraw/zinc/74/73/65/670747365.db2.gz TUUNYHKVEJMOPV-UHFFFAOYSA-N 1 0 309.366 0.190 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000817929303 670953561 /nfs/dbraw/zinc/95/35/61/670953561.db2.gz FVSXJPRIVLMYOV-UHFFFAOYSA-N 1 0 320.437 0.907 20 10 DCCDRO O=C(NCc1ccccc1O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818214062 670989796 /nfs/dbraw/zinc/98/97/96/670989796.db2.gz ONNFSNHODLOLHZ-LBPRGKRZSA-N 1 0 301.350 0.838 20 10 DCCDRO CO[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000852791527 671160683 /nfs/dbraw/zinc/16/06/83/671160683.db2.gz ITXCKYLMWLLIEP-BPUTZDHNSA-N 1 0 321.421 0.920 20 10 DCCDRO [NH3+]C[C@@H]1CC(C(=O)NCc2c(O)ccc3c2CCCC3)=NO1 ZINC000852884589 671184645 /nfs/dbraw/zinc/18/46/45/671184645.db2.gz LYZZHHMDEIMYNY-NSHDSACASA-N 1 0 303.362 0.991 20 10 DCCDRO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1O ZINC000827978367 671540943 /nfs/dbraw/zinc/54/09/43/671540943.db2.gz QSTMEHISZJGHFA-STQMWFEESA-N 1 0 319.405 0.980 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000828666928 671558182 /nfs/dbraw/zinc/55/81/82/671558182.db2.gz KCOSJIAPWSQGFX-GWCFXTLKSA-N 1 0 321.377 0.446 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000832281093 671713062 /nfs/dbraw/zinc/71/30/62/671713062.db2.gz SFTRACCAOCYKIL-LLVKDONJSA-N 1 0 318.337 0.814 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(=O)n(C)n2)cc1 ZINC000832293160 671713521 /nfs/dbraw/zinc/71/35/21/671713521.db2.gz QLWIGMDHTNWECS-CYBMUJFWSA-N 1 0 315.377 0.276 20 10 DCCDRO COc1cc(Br)cc(CN(C)C[C@H](O)C[NH3+])c1O ZINC000841094639 671912498 /nfs/dbraw/zinc/91/24/98/671912498.db2.gz ZRWDANAQNIZQOZ-SNVBAGLBSA-N 1 0 319.199 0.915 20 10 DCCDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711852 671951454 /nfs/dbraw/zinc/95/14/54/671951454.db2.gz ITJRUWMJJZPNCY-LLVKDONJSA-N 1 0 310.373 0.809 20 10 DCCDRO CN1CCCc2cc(CNC(=O)N(CC[NH3+])CCO)ccc21 ZINC000841761012 671952986 /nfs/dbraw/zinc/95/29/86/671952986.db2.gz ZXHPQQGAVVQWJE-UHFFFAOYSA-N 1 0 306.410 0.532 20 10 DCCDRO COC[C@@]1(CNC(=O)NCc2cccc(OC)c2O)CCC[NH2+]1 ZINC000841998285 671972197 /nfs/dbraw/zinc/97/21/97/671972197.db2.gz QTLYDYTZJRHVSS-INIZCTEOSA-N 1 0 323.393 0.969 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000842012574 671973785 /nfs/dbraw/zinc/97/37/85/671973785.db2.gz ZFOMDGAIVQASEZ-HNNXBMFYSA-N 1 0 306.410 0.882 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000842035418 671977520 /nfs/dbraw/zinc/97/75/20/671977520.db2.gz GTKZXFFFVXDZBI-CQSZACIVSA-N 1 0 318.421 0.566 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000842154658 671986848 /nfs/dbraw/zinc/98/68/48/671986848.db2.gz VJGPCNSVKSONBV-AWEZNQCLSA-N 1 0 318.421 0.545 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)c1ccc(N(C)C)cc1 ZINC000842202589 671994238 /nfs/dbraw/zinc/99/42/38/671994238.db2.gz JRUQEUWSEQIMFD-GFCCVEGCSA-N 1 0 318.421 0.798 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203312 671994255 /nfs/dbraw/zinc/99/42/55/671994255.db2.gz QSIWEDWLCLKPCO-LBPRGKRZSA-N 1 0 306.410 0.656 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000842207622 671994683 /nfs/dbraw/zinc/99/46/83/671994683.db2.gz OLESVXNUQRXXAC-ZDUSSCGKSA-N 1 0 320.437 0.955 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC[NH3+])cc1 ZINC000842206688 671994731 /nfs/dbraw/zinc/99/47/31/671994731.db2.gz IOYBPRAOMHXLSV-UHFFFAOYSA-N 1 0 306.410 0.614 20 10 DCCDRO C[C@H]([NH3+])CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842228693 671997612 /nfs/dbraw/zinc/99/76/12/671997612.db2.gz CKNQMJQMYJUJJU-LBPRGKRZSA-N 1 0 318.421 0.707 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000842252659 672000380 /nfs/dbraw/zinc/00/03/80/672000380.db2.gz CIJIKVPJPRTTHA-ZDUSSCGKSA-N 1 0 320.437 0.955 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000842254768 672000770 /nfs/dbraw/zinc/00/07/70/672000770.db2.gz NOBBFSHDUNHJRY-ZDUSSCGKSA-N 1 0 320.437 0.955 20 10 DCCDRO CCN(C)S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784364 672036650 /nfs/dbraw/zinc/03/66/50/672036650.db2.gz INSAXDRFBIXRLP-ZDUSSCGKSA-N 1 0 300.428 0.539 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c1 ZINC000843065143 672057769 /nfs/dbraw/zinc/05/77/69/672057769.db2.gz JMCWRWPUGOZGHL-AWEZNQCLSA-N 1 0 319.405 0.797 20 10 DCCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(OC)c(OC)cc1O ZINC000843124368 672065187 /nfs/dbraw/zinc/06/51/87/672065187.db2.gz ZGXNCDXHCQTNIV-GFCCVEGCSA-N 1 0 324.377 0.746 20 10 DCCDRO COc1ccc(O)c(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000843427655 672093798 /nfs/dbraw/zinc/09/37/98/672093798.db2.gz BBRLILDTGHGOMP-GFCCVEGCSA-N 1 0 307.394 0.953 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1F ZINC000844190685 672160907 /nfs/dbraw/zinc/16/09/07/672160907.db2.gz LTZFJXDAWFAEDH-VIKVFOODSA-N 1 0 319.380 0.948 20 10 DCCDRO COc1ccc(N(C)CC[N@H+](C)CCCS(N)(=O)=O)cc1 ZINC000844400691 672179347 /nfs/dbraw/zinc/17/93/47/672179347.db2.gz GOQSVMULKMZXAL-UHFFFAOYSA-N 1 0 315.439 0.742 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000845973347 672285881 /nfs/dbraw/zinc/28/58/81/672285881.db2.gz YDDCEPAPBZDQIB-JTQLQIEISA-N 1 0 319.361 0.649 20 10 DCCDRO COCCCS(=O)(=O)NCC[N@H+](C)Cc1ccccc1O ZINC000177676320 685147666 /nfs/dbraw/zinc/14/76/66/685147666.db2.gz TVZKFLBPOHHJEM-UHFFFAOYSA-N 1 0 316.423 0.780 20 10 DCCDRO CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@@H+]1CCO ZINC001567667431 1160451542 /nfs/dbraw/zinc/45/15/42/1160451542.db2.gz PIQNTUXMHAEIMC-UHFFFAOYSA-N 1 0 308.378 0.555 20 10 DCCDRO COc1cccc(CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)c1O ZINC001579277298 1165260074 /nfs/dbraw/zinc/26/00/74/1165260074.db2.gz CKSIPIHWPXQDCE-MRXNPFEDSA-N 1 0 319.361 0.916 20 10 DCCDRO [NH3+]Cc1cn(C2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)nn1 ZINC001580352002 1165580308 /nfs/dbraw/zinc/58/03/08/1165580308.db2.gz QQHJHJHNADUOJM-DUXPYHPUSA-N 1 0 315.333 0.245 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](O)[C@@H]1C)cc2=O ZINC001654466472 1173805511 /nfs/dbraw/zinc/80/55/11/1173805511.db2.gz APGNWTCZNPBXGQ-CABZTGNLSA-N 1 0 320.349 0.567 20 10 DCCDRO COc1cc(C)c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(O)c1 ZINC001657405252 1173912342 /nfs/dbraw/zinc/91/23/42/1173912342.db2.gz PZMSOPYFJLUOGU-CQSZACIVSA-N 1 0 324.421 0.834 20 10 DCCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001662465797 1174212049 /nfs/dbraw/zinc/21/20/49/1174212049.db2.gz JHCOKQAJLWYCLJ-CWDCEQMOSA-N 1 0 324.446 0.905 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C[NH2+]CCO)C2)cc1 ZINC001662733350 1174236064 /nfs/dbraw/zinc/23/60/64/1174236064.db2.gz NGABAGOZPGTRSP-NSHDSACASA-N 1 0 319.365 0.893 20 10 DCCDRO Cc1cc(O)c(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1Cl ZINC001665359253 1174510484 /nfs/dbraw/zinc/51/04/84/1174510484.db2.gz JQSRTPJKBDCHJW-UWVGGRQHSA-N 1 0 311.769 0.373 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)cc1C ZINC001690560971 1177269155 /nfs/dbraw/zinc/26/91/55/1177269155.db2.gz YROZBSJPKQUXQZ-GXTWGEPZSA-N 1 0 319.405 0.877 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)cc1C ZINC001690616930 1177283609 /nfs/dbraw/zinc/28/36/09/1177283609.db2.gz SNVPZSOAHLJCJQ-AAEUAGOBSA-N 1 0 320.393 0.279 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)OC)cc1C ZINC001725691419 1184944585 /nfs/dbraw/zinc/94/45/85/1184944585.db2.gz ZZSOPKPGUSYTIH-ZFWWWQNUSA-N 1 0 324.421 0.947 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)Cn2nccn2)cc1C ZINC001128273728 753507405 /nfs/dbraw/zinc/50/74/05/753507405.db2.gz UATDNZBAPJZKJZ-UHFFFAOYSA-N 1 0 303.366 0.501 20 10 DCCDRO CN1CC[NH+](CCC(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001143230772 754501093 /nfs/dbraw/zinc/50/10/93/754501093.db2.gz DRZSZAPBDMBXNL-UHFFFAOYSA-N 1 0 303.406 0.914 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CNC(=O)C2)cc1C ZINC001131690111 763940974 /nfs/dbraw/zinc/94/09/74/763940974.db2.gz QRLZNUADJLJWTL-KRWDZBQOSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCNC2=O)cc1C ZINC001132376803 764427545 /nfs/dbraw/zinc/42/75/45/764427545.db2.gz RGQCFWWSOJPBBF-CYBMUJFWSA-N 1 0 305.378 0.346 20 10 DCCDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O)cc(OC)n1 ZINC001134871891 765719946 /nfs/dbraw/zinc/71/99/46/765719946.db2.gz GTKXZUHNFRXYEL-ZJUUUORDSA-N 1 0 324.381 0.071 20 10 DCCDRO [NH3+][C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1F ZINC001119036760 766515554 /nfs/dbraw/zinc/51/55/54/766515554.db2.gz MRYFKCZWKITEBM-VXGBXAGGSA-N 1 0 307.325 0.132 20 10 DCCDRO C[NH2+]CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC001119544308 766722251 /nfs/dbraw/zinc/72/22/51/766722251.db2.gz KYVBTQZAZZYCSH-UHFFFAOYSA-N 1 0 305.378 0.691 20 10 DCCDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2cccc(O)c2O)CC1 ZINC001144190433 766823453 /nfs/dbraw/zinc/82/34/53/766823453.db2.gz ZHHQHNZURLBDFZ-UHFFFAOYSA-N 1 0 307.394 0.854 20 10 DCCDRO CCN1CCO[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144508622 766958984 /nfs/dbraw/zinc/95/89/84/766958984.db2.gz SIISXPVKDJLUBR-MEDUHNTESA-N 1 0 308.378 0.956 20 10 DCCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515895 766965690 /nfs/dbraw/zinc/96/56/90/766965690.db2.gz IKWPNVZXPGISND-SNVBAGLBSA-N 1 0 310.350 0.530 20 10 DCCDRO CN1CC[NH2+]C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001122035025 767701912 /nfs/dbraw/zinc/70/19/12/767701912.db2.gz FVGXPIUTCNMQEK-OAHLLOKOSA-N 1 0 303.406 0.791 20 10 DCCDRO COc1cc(CN2CC(NC(C)=O)C2)cc(C[NH+](C)C)c1O ZINC001139256631 768464275 /nfs/dbraw/zinc/46/42/75/768464275.db2.gz FRBUPYMOKCBSGI-UHFFFAOYSA-N 1 0 307.394 0.783 20 10 DCCDRO COc1cc(CN2CCNC(=O)[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256652 768464655 /nfs/dbraw/zinc/46/46/55/768464655.db2.gz GGOICWDCIWKIOG-LLVKDONJSA-N 1 0 307.394 0.783 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140620296 768536926 /nfs/dbraw/zinc/53/69/26/768536926.db2.gz JCSYVSLZIICDMR-QGZVFWFLSA-N 1 0 317.389 0.623 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)C[C@@H]1C(=O)OC ZINC001173584198 769682004 /nfs/dbraw/zinc/68/20/04/769682004.db2.gz YZHCDHXVJNTUEE-ZSBIGDGJSA-N 1 0 323.345 0.928 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)CCNC(N)=O)cc1C ZINC001175575093 769929837 /nfs/dbraw/zinc/92/98/37/769929837.db2.gz KKUAKEYBRKMFRX-UHFFFAOYSA-N 1 0 322.409 0.658 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)cc1OC ZINC001236752396 770018174 /nfs/dbraw/zinc/01/81/74/770018174.db2.gz QWKDHQJDRNBDKM-JQWIXIFHSA-N 1 0 306.362 0.977 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001181808087 771353920 /nfs/dbraw/zinc/35/39/20/771353920.db2.gz MKBAJYUGDNANQH-ZDUSSCGKSA-N 1 0 301.364 0.040 20 10 DCCDRO O=C(N1CCCc2cc(O)c(O)cc2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160924282 772138461 /nfs/dbraw/zinc/13/84/61/772138461.db2.gz HHBQDCPRPVBLTM-DYVFJYSZSA-N 1 0 317.389 0.324 20 10 DCCDRO COc1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c(O)c1OC ZINC001206151860 773051259 /nfs/dbraw/zinc/05/12/59/773051259.db2.gz RZRGDPBYHHPZFI-VXGBXAGGSA-N 1 0 322.361 0.499 20 10 DCCDRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCCc1cc(O)c(O)cc1O ZINC001220115781 774697071 /nfs/dbraw/zinc/69/70/71/774697071.db2.gz SUHMHKKPAIFLTA-JTQLQIEISA-N 1 0 312.366 0.605 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)OC)cc1C ZINC001268298359 940031626 /nfs/dbraw/zinc/03/16/26/940031626.db2.gz JVPOSKHGWIWMDW-OCCSQVGLSA-N 1 0 310.394 0.605 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC(=O)N2)cc1C ZINC001493499347 940330770 /nfs/dbraw/zinc/33/07/70/940330770.db2.gz YRZLOYLOSWEFQJ-CQSZACIVSA-N 1 0 319.405 0.830 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001270580540 940930073 /nfs/dbraw/zinc/93/00/73/940930073.db2.gz RFPNGGDTMNTVGR-OKILXGFUSA-N 1 0 319.405 0.487 20 10 DCCDRO NC(=O)COC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC001319948200 945702083 /nfs/dbraw/zinc/70/20/83/945702083.db2.gz KABYQGWVIUZRGB-UHFFFAOYSA-N 1 0 308.334 0.587 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001257382938 946733385 /nfs/dbraw/zinc/73/33/85/946733385.db2.gz OYRLNCGFJDKYIG-UHFFFAOYSA-N 1 0 305.378 0.561 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001462493623 1013070690 /nfs/dbraw/zinc/07/06/90/1013070690.db2.gz JCXYNCVLUCCGPL-UHFFFAOYSA-N 1 0 302.396 0.738 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001262161323 947588546 /nfs/dbraw/zinc/58/85/46/947588546.db2.gz HALJRECAWCLENS-ZDUSSCGKSA-N 1 0 305.378 0.546 20 10 DCCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001262597526 947737233 /nfs/dbraw/zinc/73/72/33/947737233.db2.gz RBMZHYHBRYOPHY-UHFFFAOYSA-N 1 0 322.384 0.953 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001326861764 948306319 /nfs/dbraw/zinc/30/63/19/948306319.db2.gz MYPHMRLLSSJGMD-XBXGTLAGSA-N 1 0 319.405 0.807 20 10 DCCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1=O ZINC001273843981 948485350 /nfs/dbraw/zinc/48/53/50/948485350.db2.gz WSKYPZWAFULCRO-INIZCTEOSA-N 1 0 320.345 0.774 20 10 DCCDRO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1Cc2cccc(O)c2C1 ZINC001329517077 949655707 /nfs/dbraw/zinc/65/57/07/949655707.db2.gz QFMUOGKAUZHKOM-UONOGXRCSA-N 1 0 315.373 0.587 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)OC)cc1C ZINC001331680340 951240710 /nfs/dbraw/zinc/24/07/10/951240710.db2.gz BQESOMSQHKQUOO-GXTWGEPZSA-N 1 0 310.394 0.605 20 10 DCCDRO CN(C)C(=O)CN1CCC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001275267697 952038278 /nfs/dbraw/zinc/03/82/78/952038278.db2.gz VUHXVTFSOIPZIC-UHFFFAOYSA-N 1 0 303.406 0.988 20 10 DCCDRO COCCOC[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001336802133 952767046 /nfs/dbraw/zinc/76/70/46/952767046.db2.gz BHLHKPUAYWZGJI-HOCLYGCPSA-N 1 0 324.421 0.887 20 10 DCCDRO COc1ccc(N2CC[C@H]([NH2+]CCC(=O)NC(N)=O)C2)cc1 ZINC001336798412 952767282 /nfs/dbraw/zinc/76/72/82/952767282.db2.gz GLCNLHBCEQICTJ-NSHDSACASA-N 1 0 306.366 0.449 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC001341514465 953234775 /nfs/dbraw/zinc/23/47/75/953234775.db2.gz HQMMZTLLNWSJSF-RHSMWYFYSA-N 1 0 319.405 0.457 20 10 DCCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001351919375 955462171 /nfs/dbraw/zinc/46/21/71/955462171.db2.gz JHJNUFXIBVPMQQ-CYBMUJFWSA-N 1 0 317.389 0.787 20 10 DCCDRO C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C[NH3+] ZINC001351984737 955481668 /nfs/dbraw/zinc/48/16/68/955481668.db2.gz YMCCGMDNOHJQNP-DGCLKSJQSA-N 1 0 317.389 0.678 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)CNCC[NH3+])CC2)cc1 ZINC001357375373 957259486 /nfs/dbraw/zinc/25/94/86/957259486.db2.gz IZUGJLOEHFJTKZ-UHFFFAOYSA-N 1 0 306.410 0.282 20 10 DCCDRO C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H](O)C[NH2+]1 ZINC001521439236 1017375449 /nfs/dbraw/zinc/37/54/49/1017375449.db2.gz MVCOYXBKBUCHBE-WBVHZDCISA-N 1 0 319.405 0.252 20 10 DCCDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C[C@H](C)O ZINC001662429527 1174209190 /nfs/dbraw/zinc/20/91/90/1174209190.db2.gz LPGLUCPXBAAQKS-ZJUUUORDSA-N 1 0 307.354 0.938 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000372098795 239188208 /nfs/dbraw/zinc/18/82/08/239188208.db2.gz NOLDPMCXSHWRLF-JKSUJKDBSA-N 1 0 303.406 0.869 20 10 DCCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000285691022 131193220 /nfs/dbraw/zinc/19/32/20/131193220.db2.gz ATIIWJORVLMJPJ-NSHDSACASA-N 1 0 309.385 0.998 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)c1 ZINC000092068471 395728973 /nfs/dbraw/zinc/72/89/73/395728973.db2.gz XXKXISRVLQTUSM-ZDUSSCGKSA-N 1 0 314.407 0.914 20 10 DCCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)C[NH+]1CCN(C)CC1 ZINC000187144378 396364400 /nfs/dbraw/zinc/36/44/00/396364400.db2.gz JOEKCJZKSGCUBS-LBPRGKRZSA-N 1 0 307.394 0.711 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000193128388 396444578 /nfs/dbraw/zinc/44/45/78/396444578.db2.gz DRTUOAOIBBIQGK-GFCCVEGCSA-N 1 0 306.362 0.892 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188041004 396378390 /nfs/dbraw/zinc/37/83/90/396378390.db2.gz CZQAWTFXYSVSGJ-MRXNPFEDSA-N 1 0 319.405 0.470 20 10 DCCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000276067041 415421419 /nfs/dbraw/zinc/42/14/19/415421419.db2.gz SVVSWOHSPFTQOT-UHFFFAOYSA-N 1 0 304.368 0.048 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O ZINC000377221512 417052422 /nfs/dbraw/zinc/05/24/22/417052422.db2.gz JWJXDZLZHDBMHL-STQMWFEESA-N 1 0 306.362 0.880 20 10 DCCDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CC[C@H]([NH3+])C1)CC2 ZINC000638017299 417282371 /nfs/dbraw/zinc/28/23/71/417282371.db2.gz FORGDFVXCOFPDE-LBPRGKRZSA-N 1 0 321.402 0.531 20 10 DCCDRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000934040072 657978053 /nfs/dbraw/zinc/97/80/53/657978053.db2.gz GLLZNKZBKQDHHI-HZPDHXFCSA-N 1 0 321.421 0.762 20 10 DCCDRO O=C(NCCCN1CC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC000891968505 658017779 /nfs/dbraw/zinc/01/77/79/658017779.db2.gz MKQNCZWPNAWNOB-UHFFFAOYSA-N 1 0 304.394 0.713 20 10 DCCDRO COC[C@](C)(O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250502 658086176 /nfs/dbraw/zinc/08/61/76/658086176.db2.gz AOTUZAFUQNZDKY-RDJZCZTQSA-N 1 0 323.437 0.869 20 10 DCCDRO COC(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251257 658087393 /nfs/dbraw/zinc/08/73/93/658087393.db2.gz BGCNHMJXUYDLQJ-CQSZACIVSA-N 1 0 322.409 0.828 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N2)[NH+](C)C)cc1 ZINC000891250208 658087859 /nfs/dbraw/zinc/08/78/59/658087859.db2.gz VHGKTTFALPXXDV-ZIAGYGMSSA-N 1 0 304.394 0.360 20 10 DCCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000895327708 662169507 /nfs/dbraw/zinc/16/95/07/662169507.db2.gz PTTMFAHSXMZLMJ-DLBZAZTESA-N 1 0 306.406 0.841 20 10 DCCDRO COc1ccc(C[NH+]2CCC(CO)(CO)CC2)c(O)c1OC ZINC000895932619 662230236 /nfs/dbraw/zinc/23/02/36/662230236.db2.gz VGUWLAADEJXXEQ-UHFFFAOYSA-N 1 0 311.378 0.976 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)c1 ZINC000896685770 662304846 /nfs/dbraw/zinc/30/48/46/662304846.db2.gz MNMJLMJWNQZUIW-CQSZACIVSA-N 1 0 315.391 0.694 20 10 DCCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1c(O)cccc1F ZINC000917960527 665151970 /nfs/dbraw/zinc/15/19/70/665151970.db2.gz QLWNKDWCOGFHPJ-LLVKDONJSA-N 1 0 310.373 0.576 20 10 DCCDRO COc1cc(C(=O)NC2CC[NH+](C[C@H](C)O)CC2)cc(OC)n1 ZINC001003244414 666287084 /nfs/dbraw/zinc/28/70/84/666287084.db2.gz FSXUTPDFUHKCET-NSHDSACASA-N 1 0 323.393 0.674 20 10 DCCDRO COCCOCC[N@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000862468291 667045888 /nfs/dbraw/zinc/04/58/88/667045888.db2.gz FTRPEGXQXQXYMY-UHFFFAOYSA-N 1 0 313.350 0.578 20 10 DCCDRO NC(=O)C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000862535679 667047598 /nfs/dbraw/zinc/04/75/98/667047598.db2.gz VULULTCQWTZVMN-MRXNPFEDSA-N 1 0 319.405 0.599 20 10 DCCDRO O=C1COC[C@@]2(C[NH2+]Cc3ccc4c(c3)CCO4)COCCN12 ZINC000865800912 667348849 /nfs/dbraw/zinc/34/88/49/667348849.db2.gz OPGVFGUCWTWWRA-QGZVFWFLSA-N 1 0 318.373 0.339 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)cc1C ZINC001036158170 667428876 /nfs/dbraw/zinc/42/88/76/667428876.db2.gz AISPKHJRVQQDKL-TZMCWYRMSA-N 1 0 319.405 0.816 20 10 DCCDRO CC[NH+]1CCN(CC(=O)NCc2cccc(OC)c2O)CC1 ZINC000755775331 668066437 /nfs/dbraw/zinc/06/64/37/668066437.db2.gz PYRMKLCWIJUEIY-UHFFFAOYSA-N 1 0 307.394 0.655 20 10 DCCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875272011 668293483 /nfs/dbraw/zinc/29/34/83/668293483.db2.gz RPWIDDQVTFWXGA-CYBMUJFWSA-N 1 0 304.394 0.663 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000763066800 668395737 /nfs/dbraw/zinc/39/57/37/668395737.db2.gz HUKBIUCHITVIHX-QGZVFWFLSA-N 1 0 320.437 0.927 20 10 DCCDRO CC[C@@H](NC(C)=O)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506879 668457925 /nfs/dbraw/zinc/45/79/25/668457925.db2.gz PTOXQSFAOCYNRH-HUUCEWRRSA-N 1 0 306.410 0.783 20 10 DCCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000876731564 668497818 /nfs/dbraw/zinc/49/78/18/668497818.db2.gz RZLNRJSYRQENTF-CABCVRRESA-N 1 0 321.446 0.972 20 10 DCCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000776008992 668870083 /nfs/dbraw/zinc/87/00/83/668870083.db2.gz LLVWEVOMJKTURF-KBPBESRZSA-N 1 0 310.369 0.590 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000785978599 669283715 /nfs/dbraw/zinc/28/37/15/669283715.db2.gz GGCKTBIODNJKDX-JTQLQIEISA-N 1 0 300.380 0.654 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CC3)cc2)CC1 ZINC000883146579 669655094 /nfs/dbraw/zinc/65/50/94/669655094.db2.gz RBVZQNKSSWLKRL-UHFFFAOYSA-N 1 0 316.405 0.333 20 10 DCCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nnc2c(=O)[nH]ccn12 ZINC000883417309 669682507 /nfs/dbraw/zinc/68/25/07/669682507.db2.gz WHAQDLSLCYAPLM-UHFFFAOYSA-N 1 0 310.361 0.829 20 10 DCCDRO COCCONC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883660540 669728186 /nfs/dbraw/zinc/72/81/86/669728186.db2.gz NJRUBUGHEXKNDH-UHFFFAOYSA-N 1 0 322.409 0.816 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CCO)[C@H](C)C2)cc(OC)n1 ZINC000947498553 669974790 /nfs/dbraw/zinc/97/47/90/669974790.db2.gz VUBIONCZRMKGHY-DGCLKSJQSA-N 1 0 323.393 0.674 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848305648 670665853 /nfs/dbraw/zinc/66/58/53/670665853.db2.gz DVLAPWFVPZYLKP-YLGNMVSYSA-N 1 0 304.346 0.388 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H](O)C3CC3)cc2)CC1 ZINC000849326304 670777134 /nfs/dbraw/zinc/77/71/34/670777134.db2.gz GOXSYFTUTPTFRO-MRXNPFEDSA-N 1 0 324.446 0.782 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000851684666 671012414 /nfs/dbraw/zinc/01/24/14/671012414.db2.gz JKVNWUIVVCAAPO-ZDUSSCGKSA-N 1 0 316.405 0.403 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)cc1 ZINC000851685932 671013668 /nfs/dbraw/zinc/01/36/68/671013668.db2.gz IDMWBMAZHKAPAI-CYBMUJFWSA-N 1 0 320.437 0.873 20 10 DCCDRO CC[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccccc1O ZINC000858569338 671016284 /nfs/dbraw/zinc/01/62/84/671016284.db2.gz DWDJKZMTKQTKIR-CYBMUJFWSA-N 1 0 313.423 0.924 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000851692419 671017132 /nfs/dbraw/zinc/01/71/32/671017132.db2.gz XIFKGMPFENDGNC-CYBMUJFWSA-N 1 0 320.437 0.825 20 10 DCCDRO COC[C@H](O)C[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000818982656 671083431 /nfs/dbraw/zinc/08/34/31/671083431.db2.gz PTCNUYDPFWFEMH-MRXNPFEDSA-N 1 0 323.437 0.414 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000852869091 671180049 /nfs/dbraw/zinc/18/00/49/671180049.db2.gz UNJFMWZBQFPMGI-INIZCTEOSA-N 1 0 319.405 0.252 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)COCC[NH3+])CC2)cc1 ZINC000827458488 671528401 /nfs/dbraw/zinc/52/84/01/671528401.db2.gz FOALIKFNPVVOEC-UHFFFAOYSA-N 1 0 307.394 0.709 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(=O)n2C)cc1 ZINC000832267634 671712755 /nfs/dbraw/zinc/71/27/55/671712755.db2.gz YBHBFUZKIQYPDW-AWEZNQCLSA-N 1 0 314.389 0.881 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccn(C)c(=O)c2)cc1 ZINC000832292557 671713616 /nfs/dbraw/zinc/71/36/16/671713616.db2.gz JBIWMEQVNLIVAU-OAHLLOKOSA-N 1 0 314.389 0.881 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCCC(N)=O)cc1 ZINC000832285710 671713635 /nfs/dbraw/zinc/71/36/35/671713635.db2.gz SOMDXHMQVCMDSY-CQSZACIVSA-N 1 0 306.410 0.914 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CCCNC2=O)cc1 ZINC000832299547 671714016 /nfs/dbraw/zinc/71/40/16/671714016.db2.gz CTXRZZQKJTXVIT-AWEZNQCLSA-N 1 0 319.409 0.284 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000841654002 671946917 /nfs/dbraw/zinc/94/69/17/671946917.db2.gz LJLLPHQHRAGQDA-OAHLLOKOSA-N 1 0 305.426 0.537 20 10 DCCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000841955895 671969162 /nfs/dbraw/zinc/96/91/62/671969162.db2.gz QULGLVBIWNULKL-INIZCTEOSA-N 1 0 320.437 0.957 20 10 DCCDRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150173 671986333 /nfs/dbraw/zinc/98/63/33/671986333.db2.gz OEFKDORLMJYZJF-LLVKDONJSA-N 1 0 304.394 0.149 20 10 DCCDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000842203755 671994042 /nfs/dbraw/zinc/99/40/42/671994042.db2.gz XGEFTGGQXLHGJL-JSGCOSHPSA-N 1 0 318.421 0.798 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000842204012 671994109 /nfs/dbraw/zinc/99/41/09/671994109.db2.gz ZVLRAOUYYOAVNC-ABAIWWIYSA-N 1 0 318.421 0.783 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842203311 671994179 /nfs/dbraw/zinc/99/41/79/671994179.db2.gz QSIWEDWLCLKPCO-GFCCVEGCSA-N 1 0 306.410 0.656 20 10 DCCDRO CC1CCN(c2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)CC1 ZINC000842215095 671995910 /nfs/dbraw/zinc/99/59/10/671995910.db2.gz PLDXBENBHATURA-UHFFFAOYSA-N 1 0 318.421 0.614 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000842224883 671996926 /nfs/dbraw/zinc/99/69/26/671996926.db2.gz FUBGOSXAPPDIPK-CYBMUJFWSA-N 1 0 304.394 0.189 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000842224884 671997272 /nfs/dbraw/zinc/99/72/72/671997272.db2.gz FUBGOSXAPPDIPK-ZDUSSCGKSA-N 1 0 304.394 0.189 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000842231065 671998058 /nfs/dbraw/zinc/99/80/58/671998058.db2.gz FFAJYKQHYXWTHI-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)N(C)C2CC2)cc1 ZINC000842783702 672036939 /nfs/dbraw/zinc/03/69/39/672036939.db2.gz BMCJEIUEPJDGIH-CQSZACIVSA-N 1 0 312.439 0.681 20 10 DCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843065021 672057904 /nfs/dbraw/zinc/05/79/04/672057904.db2.gz IBOZYYRHBVRJTF-KRWDZBQOSA-N 1 0 308.422 0.992 20 10 DCCDRO O=C(NCc1ccccc1O)C1(n2cccn2)CC[NH2+]CC1 ZINC000843488782 672103681 /nfs/dbraw/zinc/10/36/81/672103681.db2.gz OZDPQBDWNFYMGH-UHFFFAOYSA-N 1 0 300.362 0.984 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN(C)C3C[NH2+]C3)CC2)cc1 ZINC000844224013 672166124 /nfs/dbraw/zinc/16/61/24/672166124.db2.gz LDLKSOKKSQFMRL-UHFFFAOYSA-N 1 0 318.421 0.247 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN(C)CC[NH3+])CC2)cc1 ZINC000844226544 672166419 /nfs/dbraw/zinc/16/64/19/672166419.db2.gz NNQVMBCBACDNPT-UHFFFAOYSA-N 1 0 306.410 0.234 20 10 DCCDRO COc1cc(C)cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000844713455 672196406 /nfs/dbraw/zinc/19/64/06/672196406.db2.gz CHIZMRSDFWHMDB-UHFFFAOYSA-N 1 0 321.421 0.915 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O ZINC000871202618 685391758 /nfs/dbraw/zinc/39/17/58/685391758.db2.gz JVKHKUKJYVNEAA-CYBMUJFWSA-N 1 0 317.389 0.645 20 10 DCCDRO COC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569047330 1160925898 /nfs/dbraw/zinc/92/58/98/1160925898.db2.gz HDSCDBLAKVOGJX-LBPRGKRZSA-N 1 0 323.393 0.954 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001647773165 1173055172 /nfs/dbraw/zinc/05/51/72/1173055172.db2.gz ONOWFOQXTMYYDM-KMOQFTEPSA-N 1 0 304.346 0.700 20 10 DCCDRO Cc1ccc(C(=O)N2CC([NH2+]C3CCOCC3)C2)c(O)c1O ZINC001649380099 1173132860 /nfs/dbraw/zinc/13/28/60/1173132860.db2.gz FCPANJRJQPIXNN-UHFFFAOYSA-N 1 0 306.362 0.999 20 10 DCCDRO COc1cc(C)c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC001652759684 1173776665 /nfs/dbraw/zinc/77/66/65/1173776665.db2.gz MJXYDEZQQLGBJS-NSHDSACASA-N 1 0 314.407 0.833 20 10 DCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001659808624 1173936015 /nfs/dbraw/zinc/93/60/15/1173936015.db2.gz PQSOTIYBAAPDOX-UHFFFAOYSA-N 1 0 324.377 0.868 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H](O)C(C)C)cc1C ZINC001734366289 1186627151 /nfs/dbraw/zinc/62/71/51/1186627151.db2.gz SKMSNBTZLOKBML-GDBMZVCRSA-N 1 0 324.421 0.587 20 10 DCCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142635395 750100315 /nfs/dbraw/zinc/10/03/15/750100315.db2.gz LJGHOVBTPGHVRM-LBPRGKRZSA-N 1 0 306.362 0.946 20 10 DCCDRO O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001148588115 768021055 /nfs/dbraw/zinc/02/10/55/768021055.db2.gz ONONFPAPJSYIPX-LBPRGKRZSA-N 1 0 322.361 0.740 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119067681 766525205 /nfs/dbraw/zinc/52/52/05/766525205.db2.gz MHLVRJUYFBCLDF-RRQGHBQHSA-N 1 0 315.417 0.872 20 10 DCCDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)cc(O)cc2O)O1 ZINC001144509827 766964975 /nfs/dbraw/zinc/96/49/75/766964975.db2.gz LJCMNMDVEYKVRW-DFBGVHRSSA-N 1 0 322.361 0.623 20 10 DCCDRO COc1cc(CN2CCO[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139255879 768464585 /nfs/dbraw/zinc/46/45/85/768464585.db2.gz SJHNREHFLQCELS-AWEZNQCLSA-N 1 0 310.394 0.656 20 10 DCCDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141158080 768570112 /nfs/dbraw/zinc/57/01/12/768570112.db2.gz SQLJGKBKKGIPQC-GDBMZVCRSA-N 1 0 306.362 0.825 20 10 DCCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487257 769371476 /nfs/dbraw/zinc/37/14/76/769371476.db2.gz WLOMEGJYQBASBH-LLVKDONJSA-N 1 0 310.350 0.530 20 10 DCCDRO O=C1CC[C@@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccc(O)c(O)c3)CCN12 ZINC001172149871 769442085 /nfs/dbraw/zinc/44/20/85/769442085.db2.gz BUDFPKYYUNPRKF-YWPYICTPSA-N 1 0 306.362 0.874 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2c(O)cc(OC)cc2OC)C[C@H]1[NH3+] ZINC001236347256 770001948 /nfs/dbraw/zinc/00/19/48/770001948.db2.gz KTIOCKSXOUBJLY-CMPLNLGQSA-N 1 0 310.350 0.342 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[N@H+]3CC[C@@H](CO)C3)cc2)CC1 ZINC001237205943 770035235 /nfs/dbraw/zinc/03/52/35/770035235.db2.gz KLZJYAFHRPSFFZ-OAHLLOKOSA-N 1 0 324.446 0.736 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c(OC)c1 ZINC001237668401 770072085 /nfs/dbraw/zinc/07/20/85/770072085.db2.gz DNELUOLQUFTTLG-GDBMZVCRSA-N 1 0 311.378 0.975 20 10 DCCDRO COCCn1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1=O ZINC001241899941 770275754 /nfs/dbraw/zinc/27/57/54/770275754.db2.gz JDBMYUJNKRPKOT-UHFFFAOYSA-N 1 0 315.377 0.361 20 10 DCCDRO O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001161883448 772294905 /nfs/dbraw/zinc/29/49/05/772294905.db2.gz BXIZJYNIUBIYKB-NEPJUHHUSA-N 1 0 324.352 0.908 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203555540 772913592 /nfs/dbraw/zinc/91/35/92/772913592.db2.gz CMNNPMYEFKJCAN-MRXNPFEDSA-N 1 0 303.362 0.315 20 10 DCCDRO COc1cc(CN2CCN(CC[NH+](C)C)CC2)cc(O)c1O ZINC001204340415 772945683 /nfs/dbraw/zinc/94/56/83/772945683.db2.gz QGRUQMNCBWUOCY-UHFFFAOYSA-N 1 0 309.410 0.786 20 10 DCCDRO CCOC(=O)C1(NC(=O)Cc2ccc(N)cc2)CC[NH+](C)CC1 ZINC001220345948 774781241 /nfs/dbraw/zinc/78/12/41/774781241.db2.gz UKGLEZKLVLIVSF-UHFFFAOYSA-N 1 0 319.405 0.955 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H](C[NH2+]CCO)C2CC2)cc1 ZINC001269149861 940632245 /nfs/dbraw/zinc/63/22/45/940632245.db2.gz WEYJRYQIMXWFQG-CYBMUJFWSA-N 1 0 319.365 0.939 20 10 DCCDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001270068455 940828356 /nfs/dbraw/zinc/82/83/56/940828356.db2.gz UBUMHGHKQKFGEG-UHFFFAOYSA-N 1 0 321.377 0.123 20 10 DCCDRO O=C1N(C2COC2)CC[C@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001272387081 942729112 /nfs/dbraw/zinc/72/91/12/942729112.db2.gz SPNKHIFXRFRIKI-KRWDZBQOSA-N 1 0 318.373 0.921 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)cc1 ZINC001276958674 944606478 /nfs/dbraw/zinc/60/64/78/944606478.db2.gz TWPHZVKPUQTGAN-JJXSEGSLSA-N 1 0 303.406 0.952 20 10 DCCDRO O=C(NCC1COC1)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001277191976 944698299 /nfs/dbraw/zinc/69/82/99/944698299.db2.gz IERKIFIJDGPXJJ-DYVFJYSZSA-N 1 0 318.373 0.825 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001249177567 945621666 /nfs/dbraw/zinc/62/16/66/945621666.db2.gz DNJNGGJYZLYHCK-RDJZCZTQSA-N 1 0 323.389 0.673 20 10 DCCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1 ZINC001249172203 945621918 /nfs/dbraw/zinc/62/19/18/945621918.db2.gz JSJZZUJDVAYKAG-GASCZTMLSA-N 1 0 309.362 0.953 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCOC2)cc1C ZINC001320199279 945764211 /nfs/dbraw/zinc/76/42/11/945764211.db2.gz AXOLTUVRDVSGDO-LSDHHAIUSA-N 1 0 322.405 0.607 20 10 DCCDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001299734242 947232805 /nfs/dbraw/zinc/23/28/05/947232805.db2.gz AEFHTTBTMRFONC-ZDUSSCGKSA-N 1 0 308.378 0.867 20 10 DCCDRO CC[N@@H+]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001331939183 951399463 /nfs/dbraw/zinc/39/94/63/951399463.db2.gz VABYJJKGZZOUEP-UHFFFAOYSA-N 1 0 317.389 0.789 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001332434169 951645140 /nfs/dbraw/zinc/64/51/40/951645140.db2.gz MTBFWWZTYMXRJG-LBPRGKRZSA-N 1 0 305.378 0.548 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001275419412 952132862 /nfs/dbraw/zinc/13/28/62/952132862.db2.gz XZYCSGYNIYKXHT-OKILXGFUSA-N 1 0 319.405 0.835 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001335304488 952517043 /nfs/dbraw/zinc/51/70/43/952517043.db2.gz RPHYQTYKDAWLMA-SUMWQHHRSA-N 1 0 317.389 0.690 20 10 DCCDRO Nc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001335736727 952591578 /nfs/dbraw/zinc/59/15/78/952591578.db2.gz HADAPBGDZCEOIW-HNNXBMFYSA-N 1 0 306.410 0.915 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001338321646 952994811 /nfs/dbraw/zinc/99/48/11/952994811.db2.gz JRIGBULKFFNLPE-YPMHNXCESA-N 1 0 305.378 0.322 20 10 DCCDRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC001349689086 954846953 /nfs/dbraw/zinc/84/69/53/954846953.db2.gz GGLSWUOVEFVRQL-MNOVXSKESA-N 1 0 312.391 0.346 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC001350021694 954965006 /nfs/dbraw/zinc/96/50/06/954965006.db2.gz XYBCDZDLSMVEEL-TXEJJXNPSA-N 1 0 322.384 0.361 20 10 DCCDRO C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1C[NH3+] ZINC001351984741 955481849 /nfs/dbraw/zinc/48/18/49/955481849.db2.gz YMCCGMDNOHJQNP-YPMHNXCESA-N 1 0 317.389 0.678 20 10 DCCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C1 ZINC001467369134 1016161145 /nfs/dbraw/zinc/16/11/45/1016161145.db2.gz HYUZLALFPNSAGQ-NWDGAFQWSA-N 1 0 308.378 0.554 20 10 DCCDRO CNS(=O)(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000362044834 530013197 /nfs/dbraw/zinc/01/31/97/530013197.db2.gz KAJYORNDGGSALY-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1cccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1O ZINC000093583798 193269045 /nfs/dbraw/zinc/26/90/45/193269045.db2.gz SBAYYLKPVMQHBA-AWEZNQCLSA-N 1 0 310.394 0.526 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)CO)cc2=O ZINC000284781243 131110691 /nfs/dbraw/zinc/11/06/91/131110691.db2.gz NIWRPLKKQWWCMS-SECBINFHSA-N 1 0 308.338 0.424 20 10 DCCDRO CCCN(Cc1cn(C)c(=O)n(C)c1=O)c1ccc(C[NH3+])cc1 ZINC000194979944 395812852 /nfs/dbraw/zinc/81/28/52/395812852.db2.gz FQXGIVOLDBECOW-UHFFFAOYSA-N 1 0 316.405 0.959 20 10 DCCDRO COc1c(O)c(C[NH2+]CC(=O)NCC2CC2)ccc1[N+](=O)[O-] ZINC000278461895 396126736 /nfs/dbraw/zinc/12/67/36/396126736.db2.gz FFNMZJUNWKOWDG-UHFFFAOYSA-N 1 0 309.322 0.925 20 10 DCCDRO COCCN(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278558018 396131100 /nfs/dbraw/zinc/13/11/00/396131100.db2.gz AVDFFWWEQVFOKQ-UHFFFAOYSA-N 1 0 313.354 0.977 20 10 DCCDRO Cc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(O)c1O ZINC000177686786 396181176 /nfs/dbraw/zinc/18/11/76/396181176.db2.gz CEPKXDLEZROXJO-GFCCVEGCSA-N 1 0 307.394 0.772 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)cc1 ZINC000298403691 396710027 /nfs/dbraw/zinc/71/00/27/396710027.db2.gz FEJXBDXGMASFJX-HZPDHXFCSA-N 1 0 321.421 0.186 20 10 DCCDRO CO[C@H](C[NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000290002978 415750399 /nfs/dbraw/zinc/75/03/99/415750399.db2.gz PQRYYMVRTYHRDU-OAHLLOKOSA-N 1 0 307.394 0.455 20 10 DCCDRO C[NH+](C)CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000133511254 415947024 /nfs/dbraw/zinc/94/70/24/415947024.db2.gz JWQHWFLXLKXRRB-UHFFFAOYSA-N 1 0 306.410 0.884 20 10 DCCDRO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(O)c1O ZINC000298698492 416022760 /nfs/dbraw/zinc/02/27/60/416022760.db2.gz VLDMLDRPILUZEQ-GFCCVEGCSA-N 1 0 308.378 0.983 20 10 DCCDRO C[C@]1(CO)C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@]1(C)CO ZINC000529667968 417484832 /nfs/dbraw/zinc/48/48/32/417484832.db2.gz BSMRFLMULMGUHR-IYBDPMFKSA-N 1 0 309.362 0.934 20 10 DCCDRO C[NH+](C)C1CCN(CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000237083033 282050807 /nfs/dbraw/zinc/05/08/07/282050807.db2.gz DAJVIMLHYLFHBV-UHFFFAOYSA-N 1 0 304.438 0.954 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)C(C)C)cc2=O ZINC000267575464 521581145 /nfs/dbraw/zinc/58/11/45/521581145.db2.gz SEWWDHTWTVPTNY-UHFFFAOYSA-N 1 0 322.365 0.814 20 10 DCCDRO CC[NH+]1CCN(CCC(=O)NCCc2ccc(N)cc2)CC1 ZINC000236874371 521677841 /nfs/dbraw/zinc/67/78/41/521677841.db2.gz VFHRIQUTTBLKIK-UHFFFAOYSA-N 1 0 304.438 0.955 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000237891517 665414373 /nfs/dbraw/zinc/41/43/73/665414373.db2.gz OMEPFOIFOXUZKB-OAHLLOKOSA-N 1 0 303.406 0.992 20 10 DCCDRO COC(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251252 658087122 /nfs/dbraw/zinc/08/71/22/658087122.db2.gz BGCNHMJXUYDLQJ-AWEZNQCLSA-N 1 0 322.409 0.828 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)N2)[NH+](C)C)cc1 ZINC000891254104 658092320 /nfs/dbraw/zinc/09/23/20/658092320.db2.gz VOICWKQJPRGLRN-HUUCEWRRSA-N 1 0 318.421 0.750 20 10 DCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000895702680 662207781 /nfs/dbraw/zinc/20/77/81/662207781.db2.gz DXGUURIPSWJYGE-HNNXBMFYSA-N 1 0 311.334 0.519 20 10 DCCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000898356839 662950900 /nfs/dbraw/zinc/95/09/00/662950900.db2.gz UZRTUXKGRJPMSR-TZMCWYRMSA-N 1 0 324.377 0.940 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c(O)cc1C ZINC000902526537 663418064 /nfs/dbraw/zinc/41/80/64/663418064.db2.gz IYUZRJGKVMDXIO-NSHDSACASA-N 1 0 314.407 0.820 20 10 DCCDRO CCOc1cccc(C[NH2+]C[C@@]2(CO)COCCN2C)c1O ZINC000922534478 666476909 /nfs/dbraw/zinc/47/69/09/666476909.db2.gz AHYYUNOSVRCADF-MRXNPFEDSA-N 1 0 310.394 0.574 20 10 DCCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1COCC[NH2+]1 ZINC000861589636 666947735 /nfs/dbraw/zinc/94/77/35/666947735.db2.gz CQBXAWAGMIGLJU-HNNXBMFYSA-N 1 0 316.405 0.850 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000863507785 667152121 /nfs/dbraw/zinc/15/21/21/667152121.db2.gz FFNQUUOEWVMIPN-OAHLLOKOSA-N 1 0 306.410 0.618 20 10 DCCDRO O=C1COC[C@]2(C[NH2+][C@H]3CCc4cccc(O)c43)COCCN12 ZINC000866552890 667380785 /nfs/dbraw/zinc/38/07/85/667380785.db2.gz CTGVFCRNZLYNRW-GUYCJALGSA-N 1 0 318.373 0.597 20 10 DCCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000749125470 667946886 /nfs/dbraw/zinc/94/68/86/667946886.db2.gz GTCBHOHWBHUMGX-TZMCWYRMSA-N 1 0 318.421 0.742 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889758027 667992045 /nfs/dbraw/zinc/99/20/45/667992045.db2.gz WNOBYPUZUJJDNC-CHWSQXEVSA-N 1 0 306.362 0.769 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cc1 ZINC000876712236 668493442 /nfs/dbraw/zinc/49/34/42/668493442.db2.gz CPUNBKSFGMDUHL-JOCHJYFZSA-N 1 0 323.462 0.870 20 10 DCCDRO COC(=O)CNC(=O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000877706536 668639742 /nfs/dbraw/zinc/63/97/42/668639742.db2.gz NPAOBPGFCCLIAF-UHFFFAOYSA-N 1 0 302.330 0.924 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000769458622 668649581 /nfs/dbraw/zinc/64/95/81/668649581.db2.gz WSQSTGXAMYGHRH-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO COC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775048712 668854852 /nfs/dbraw/zinc/85/48/52/668854852.db2.gz PXQJMAQFGSFIHI-CYBMUJFWSA-N 1 0 300.311 0.796 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1 ZINC000775370787 668861591 /nfs/dbraw/zinc/86/15/91/668861591.db2.gz IIAKPKNFWUYEAK-WDEREUQCSA-N 1 0 323.393 0.644 20 10 DCCDRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647446 669081204 /nfs/dbraw/zinc/08/12/04/669081204.db2.gz CLVNZJSLSTUVFK-GHMZBOCLSA-N 1 0 309.366 0.904 20 10 DCCDRO Cn1cc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000782969030 669134375 /nfs/dbraw/zinc/13/43/75/669134375.db2.gz TYHJCRHKJIAXMB-UHFFFAOYSA-N 1 0 300.410 0.857 20 10 DCCDRO O=C1NC2(CO1)CC[NH+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC000784024157 669187139 /nfs/dbraw/zinc/18/71/39/669187139.db2.gz XTOZSMZCQAUSPP-CYBMUJFWSA-N 1 0 320.345 0.892 20 10 DCCDRO CN(C)c1ccc(CNC(=O)Cn2cc(CCC[NH3+])nn2)cc1 ZINC000881094778 669297260 /nfs/dbraw/zinc/29/72/60/669297260.db2.gz RRWLURVWHFAEQA-UHFFFAOYSA-N 1 0 316.409 0.552 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000881854570 669399072 /nfs/dbraw/zinc/39/90/72/669399072.db2.gz HASXLBJSYRTAAI-FVQHAEBGSA-N 1 0 315.417 0.947 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767890 669508114 /nfs/dbraw/zinc/50/81/14/669508114.db2.gz FAECPGSDOOXUSE-OAHLLOKOSA-N 1 0 305.334 0.575 20 10 DCCDRO COC(=O)c1cn(CC[NH2+]Cc2ccc(N(C)C)cc2)nn1 ZINC000790613198 669562422 /nfs/dbraw/zinc/56/24/22/669562422.db2.gz JTJOFNLZKUWVSX-UHFFFAOYSA-N 1 0 303.366 0.921 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C1(CO)CC1)cc2=O ZINC000796502732 669932719 /nfs/dbraw/zinc/93/27/19/669932719.db2.gz JPODCMLSZDVFSA-UHFFFAOYSA-N 1 0 320.349 0.568 20 10 DCCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C)[N@H+]1CCO ZINC000840134180 670407398 /nfs/dbraw/zinc/40/73/98/670407398.db2.gz JUEQUIHURJQLAT-BFQNTYOBSA-N 1 0 322.405 0.705 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854352876 670552152 /nfs/dbraw/zinc/55/21/52/670552152.db2.gz MBBPXMGYNKBDPT-LYKUJDHUSA-N 1 0 317.389 0.617 20 10 DCCDRO C[NH2+]CCCN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817919452 670952774 /nfs/dbraw/zinc/95/27/74/670952774.db2.gz SSRONGVBLATLGT-UHFFFAOYSA-N 1 0 320.437 0.779 20 10 DCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000858293694 670990041 /nfs/dbraw/zinc/99/00/41/670990041.db2.gz ZXIPIWYPMHXDNV-UHFFFAOYSA-N 1 0 310.350 0.560 20 10 DCCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851664115 671007311 /nfs/dbraw/zinc/00/73/11/671007311.db2.gz RKLSYQMZBKAWMI-LBPRGKRZSA-N 1 0 306.410 0.794 20 10 DCCDRO Cc1ccc([C@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000858569833 671016226 /nfs/dbraw/zinc/01/62/26/671016226.db2.gz OALSRBCBOOMYSC-NSHDSACASA-N 1 0 313.423 0.842 20 10 DCCDRO COc1ccc(N2CCC([NH2+]CCC(=O)NC(N)=O)CC2)cc1 ZINC000819002062 671084753 /nfs/dbraw/zinc/08/47/53/671084753.db2.gz HZBASANIVBTQAY-UHFFFAOYSA-N 1 0 320.393 0.839 20 10 DCCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469172 671528653 /nfs/dbraw/zinc/52/86/53/671528653.db2.gz ORHIDXZAZQESSX-CQSZACIVSA-N 1 0 318.421 0.614 20 10 DCCDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000828358293 671551194 /nfs/dbraw/zinc/55/11/94/671551194.db2.gz JWRJJTOGULEBOO-AWEZNQCLSA-N 1 0 318.421 0.515 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000831748469 671683727 /nfs/dbraw/zinc/68/37/27/671683727.db2.gz CYBYQKHSQUDOAC-CZUORRHYSA-N 1 0 319.405 0.626 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cnn(C)c2)cc1 ZINC000832279866 671713261 /nfs/dbraw/zinc/71/32/61/671713261.db2.gz MCIROKPMKLMMDB-HNNXBMFYSA-N 1 0 301.394 0.845 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc[n+]([O-])c2)cc1 ZINC000832292738 671713558 /nfs/dbraw/zinc/71/35/58/671713558.db2.gz LCVBQUBTKASNSR-OAHLLOKOSA-N 1 0 300.362 0.816 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CNC(=O)C2CC2)cc1 ZINC000832300580 671713996 /nfs/dbraw/zinc/71/39/96/671713996.db2.gz ZPBIRPARRJFCTQ-AWEZNQCLSA-N 1 0 304.394 0.395 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000841823371 671957848 /nfs/dbraw/zinc/95/78/48/671957848.db2.gz AEWNDLQZSQNILP-OAHLLOKOSA-N 1 0 306.410 0.849 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000841892819 671963484 /nfs/dbraw/zinc/96/34/84/671963484.db2.gz XUWYSZZEDLDAQL-ZDUSSCGKSA-N 1 0 322.361 0.654 20 10 DCCDRO C[NH2+]CCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000841936296 671967578 /nfs/dbraw/zinc/96/75/78/671967578.db2.gz MEYMPUVOEBZQEX-UHFFFAOYSA-N 1 0 310.373 0.885 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000842074134 671980918 /nfs/dbraw/zinc/98/09/18/671980918.db2.gz ZDKRMSXASDSCIW-QWHCGFSZSA-N 1 0 320.437 0.572 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000842151796 671986521 /nfs/dbraw/zinc/98/65/21/671986521.db2.gz CTWIQYKIMXHTMN-ZDUSSCGKSA-N 1 0 318.421 0.498 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842202739 671994029 /nfs/dbraw/zinc/99/40/29/671994029.db2.gz KYRKLKFFCMPICY-OLZOCXBDSA-N 1 0 318.421 0.750 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000842203757 671994214 /nfs/dbraw/zinc/99/42/14/671994214.db2.gz XGEFTGGQXLHGJL-TZMCWYRMSA-N 1 0 318.421 0.798 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)[NH3+])cc1 ZINC000842206669 671994744 /nfs/dbraw/zinc/99/47/44/671994744.db2.gz HWZAIGDGUPPILS-LBPRGKRZSA-N 1 0 306.410 0.612 20 10 DCCDRO CCC[NH2+]CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842232410 671998248 /nfs/dbraw/zinc/99/82/48/671998248.db2.gz JBSFXIPUTFPHOK-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842237579 671998745 /nfs/dbraw/zinc/99/87/45/671998745.db2.gz FSNRUTRUMKKKNX-UHFFFAOYSA-N 1 0 320.437 0.728 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC(F)(F)CN)cc1 ZINC000846664132 672334525 /nfs/dbraw/zinc/33/45/25/672334525.db2.gz VDZMDZRUCWSABQ-GFCCVEGCSA-N 1 0 300.353 0.853 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)C2(C(N)=O)CC2)cc1C ZINC001691456599 1157779532 /nfs/dbraw/zinc/77/95/32/1157779532.db2.gz ASLTZIHGYHBMBK-UHFFFAOYSA-N 1 0 319.405 0.817 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001621432928 1166511908 /nfs/dbraw/zinc/51/19/08/1166511908.db2.gz DMINPPPHOZRURI-ZYHUDNBSSA-N 1 0 305.783 0.947 20 10 DCCDRO CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC[N@H+](C)CC1 ZINC001597658099 1168009348 /nfs/dbraw/zinc/00/93/48/1168009348.db2.gz LLDANFGRXWVRIZ-UHFFFAOYSA-N 1 0 307.394 0.346 20 10 DCCDRO COc1cc(C)c(C[NH+]2CCC(S(N)(=O)=O)CC2)c(O)c1 ZINC001621267342 1171408947 /nfs/dbraw/zinc/40/89/47/1171408947.db2.gz WIAVFLNKEUNVHC-UHFFFAOYSA-N 1 0 314.407 0.962 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001627273280 1171501154 /nfs/dbraw/zinc/50/11/54/1171501154.db2.gz BTFALLWFEUXBLY-CHWSQXEVSA-N 1 0 306.362 0.620 20 10 DCCDRO COC(=O)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@H+](C)C1 ZINC001639309777 1171831601 /nfs/dbraw/zinc/83/16/01/1171831601.db2.gz AOVVTFBQYOECLT-GFCCVEGCSA-N 1 0 322.361 0.204 20 10 DCCDRO NC(=O)c1cn(CCCC[NH2+]Cc2cc(F)ccc2O)nn1 ZINC001664983268 1174472055 /nfs/dbraw/zinc/47/20/55/1174472055.db2.gz AQLIZRYXRMVTAP-UHFFFAOYSA-N 1 0 307.329 0.792 20 10 DCCDRO CNC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715932837 1182107004 /nfs/dbraw/zinc/10/70/04/1182107004.db2.gz OAFYOHQYPQKLTB-GFCCVEGCSA-N 1 0 322.409 0.527 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnco2)cc1C ZINC001725540690 1184871198 /nfs/dbraw/zinc/87/11/98/1184871198.db2.gz IFVWCHJGSXTKLG-CYBMUJFWSA-N 1 0 319.361 0.872 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCO)C2)cc(OC)n1 ZINC001071646264 762018542 /nfs/dbraw/zinc/01/85/42/762018542.db2.gz VCMNRGLZTXPYAS-DGCLKSJQSA-N 1 0 323.393 0.674 20 10 DCCDRO COc1cc(C[N@H+](C)C[C@@H](O)CO)c(O)cc1Br ZINC001236745347 770016472 /nfs/dbraw/zinc/01/64/72/770016472.db2.gz CYQLLPCNMPFTNK-SECBINFHSA-N 1 0 320.183 0.948 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2cn[nH]n2)cc1C ZINC001134016628 765286983 /nfs/dbraw/zinc/28/69/83/765286983.db2.gz LEGKFARHOAYRRL-UHFFFAOYSA-N 1 0 317.393 0.960 20 10 DCCDRO CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC001118122444 766231630 /nfs/dbraw/zinc/23/16/30/766231630.db2.gz XJQOXYNXIHODFC-CQSZACIVSA-N 1 0 319.405 0.807 20 10 DCCDRO CC[NH+]1CCC(N(C)C(=O)CN2C(=O)CSC2=S)CC1 ZINC001144844291 767062847 /nfs/dbraw/zinc/06/28/47/767062847.db2.gz PEBRBZRBUMUUFR-UHFFFAOYSA-N 1 0 315.464 0.789 20 10 DCCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 ZINC001144849893 767065610 /nfs/dbraw/zinc/06/56/10/767065610.db2.gz IOXQORIJTFKSKJ-ZJUUUORDSA-N 1 0 313.448 0.399 20 10 DCCDRO C[N@@H+]1CCC[C@@](C)(NC(=O)CN2C(=O)CSC2=S)C1 ZINC001144852585 767066672 /nfs/dbraw/zinc/06/66/72/767066672.db2.gz FFQZZIUAIQAORA-GFCCVEGCSA-N 1 0 301.437 0.447 20 10 DCCDRO Cn1cc(C[N@@H+]2CCc3cccc(O)c3C2)c(=O)n(C)c1=O ZINC001231772002 769283779 /nfs/dbraw/zinc/28/37/79/769283779.db2.gz GXZYVKBFFBQYRI-UHFFFAOYSA-N 1 0 301.346 0.348 20 10 DCCDRO COC(=O)CN1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232838962 769337878 /nfs/dbraw/zinc/33/78/78/769337878.db2.gz LCMNRVSVMZTMIG-UHFFFAOYSA-N 1 0 307.394 0.749 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)C[C@@H]1C(=O)OC ZINC001173584197 769681476 /nfs/dbraw/zinc/68/14/76/769681476.db2.gz YZHCDHXVJNTUEE-CNDDSTCGSA-N 1 0 323.345 0.928 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2c(c1)OCCN2C ZINC001236201332 769984320 /nfs/dbraw/zinc/98/43/20/769984320.db2.gz WSQFAOXVFXRKIY-OCCSQVGLSA-N 1 0 305.378 0.590 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@H]1[NH3+] ZINC001236343829 769999380 /nfs/dbraw/zinc/99/93/80/769999380.db2.gz AXKSUUYANOOOOA-CHWSQXEVSA-N 1 0 305.378 0.447 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2c(O)cc(OC)cc2Cl)C[C@@H]1[NH3+] ZINC001236349813 770003282 /nfs/dbraw/zinc/00/32/82/770003282.db2.gz HOWAMBHBXIRGMH-JQWIXIFHSA-N 1 0 314.769 0.986 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2c(O)cc(OC)cc2Cl)C[C@H]1[NH3+] ZINC001236349817 770003439 /nfs/dbraw/zinc/00/34/39/770003439.db2.gz HOWAMBHBXIRGMH-ZYHUDNBSSA-N 1 0 314.769 0.986 20 10 DCCDRO N=C(NC(=O)c1cc2cc(O)c(O)cc2oc1=O)SCC[NH3+] ZINC001155232886 770445652 /nfs/dbraw/zinc/44/56/52/770445652.db2.gz XDNYOLCMWCQKTJ-UHFFFAOYSA-N 1 0 323.330 0.561 20 10 DCCDRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCc1ccc(O)c(O)c1 ZINC001157323762 771586937 /nfs/dbraw/zinc/58/69/37/771586937.db2.gz NFXWXQCGYJEREU-LBPRGKRZSA-N 1 0 323.393 0.390 20 10 DCCDRO O=C(CNC(=O)c1cccc(O)c1O)NCC[NH+]1CCCCC1 ZINC001157971366 771705632 /nfs/dbraw/zinc/70/56/32/771705632.db2.gz LTIMHVSYIUNBIE-UHFFFAOYSA-N 1 0 321.377 0.430 20 10 DCCDRO Cc1cc(Br)c(O)c(CN2C[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205364018 772989245 /nfs/dbraw/zinc/98/92/45/772989245.db2.gz ZDHKFAFBDJRPIL-GHMZBOCLSA-N 1 0 301.184 0.967 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220212303 774735793 /nfs/dbraw/zinc/73/57/93/774735793.db2.gz DCVGZLCKBFHXOH-BXKDBHETSA-N 1 0 321.764 0.933 20 10 DCCDRO COc1cc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)cc1O ZINC001222506738 775371831 /nfs/dbraw/zinc/37/18/31/775371831.db2.gz CXWOGIWJZXWFSJ-STQMWFEESA-N 1 0 307.394 0.632 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)OC)cc1C ZINC001268298361 940031851 /nfs/dbraw/zinc/03/18/51/940031851.db2.gz JVPOSKHGWIWMDW-TZMCWYRMSA-N 1 0 310.394 0.605 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246087821 945335411 /nfs/dbraw/zinc/33/54/11/945335411.db2.gz ZSPXSGAAYHYXHK-DRZSPHRISA-N 1 0 308.378 0.912 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246082908 945335519 /nfs/dbraw/zinc/33/55/19/945335519.db2.gz LTRBVJNBBHXJOK-DRZSPHRISA-N 1 0 308.378 0.912 20 10 DCCDRO CN1CCO[C@@]2(CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 ZINC001270574305 940928286 /nfs/dbraw/zinc/92/82/86/940928286.db2.gz AEZXQVPSWRZEMA-KRWDZBQOSA-N 1 0 320.389 0.964 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCNC(N)=O)cc1C ZINC001483291957 942243071 /nfs/dbraw/zinc/24/30/71/942243071.db2.gz BGHUOEZUNUTHPM-LBPRGKRZSA-N 1 0 322.409 0.656 20 10 DCCDRO C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1ccc(O)cc1O ZINC001277191438 944698112 /nfs/dbraw/zinc/69/81/12/944698112.db2.gz CEDYZIXSOXRJRN-SECBINFHSA-N 1 0 317.349 0.235 20 10 DCCDRO CCOc1cccc(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)c1O ZINC001277454098 944825423 /nfs/dbraw/zinc/82/54/23/944825423.db2.gz NJTYKCYBJAKRMN-CMPLNLGQSA-N 1 0 305.334 0.463 20 10 DCCDRO Nc1ccc(CC[NH2+][C@H]2CN[C@H](C(=O)N3CCSC3)C2)cc1 ZINC001246467613 945414634 /nfs/dbraw/zinc/41/46/34/945414634.db2.gz UVGZPWNZDIUYPG-CABCVRRESA-N 1 0 320.462 0.664 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3O)cc2F)CC1 ZINC001261903690 947480816 /nfs/dbraw/zinc/48/08/16/947480816.db2.gz HXKLIYZXZTYQKP-NVXWUHKLSA-N 1 0 323.412 0.817 20 10 DCCDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001325717134 947894894 /nfs/dbraw/zinc/89/48/94/947894894.db2.gz MDWOLFVIHIGCTB-ZDUSSCGKSA-N 1 0 305.378 0.561 20 10 DCCDRO CC1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[NH2+]CC1 ZINC001333979164 952215681 /nfs/dbraw/zinc/21/56/81/952215681.db2.gz KEJMLLUTQBXOHA-UHFFFAOYSA-N 1 0 317.389 0.740 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001335253383 952501837 /nfs/dbraw/zinc/50/18/37/952501837.db2.gz FUGPMZTYWDZADC-CQSZACIVSA-N 1 0 317.389 0.751 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1[NH3+] ZINC001335710660 952586611 /nfs/dbraw/zinc/58/66/11/952586611.db2.gz BYSNHCFIWDHIIS-ZWNOBZJWSA-N 1 0 303.362 0.430 20 10 DCCDRO C[C@H]1C(=O)NCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337026928 952798509 /nfs/dbraw/zinc/79/85/09/952798509.db2.gz XYIJPXQMXJVCIL-ZDUSSCGKSA-N 1 0 320.412 0.898 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341363742 953225474 /nfs/dbraw/zinc/22/54/74/953225474.db2.gz ZQJBVKRYQDBPEQ-LBPRGKRZSA-N 1 0 303.362 0.171 20 10 DCCDRO [NH3+]CCNCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001341570921 953237906 /nfs/dbraw/zinc/23/79/06/953237906.db2.gz KCUVLXRIOQBYKG-UHFFFAOYSA-N 1 0 320.437 0.060 20 10 DCCDRO C[S@@](=O)C1(C(=O)NCc2c(O)cccc2F)CC[NH2+]CC1 ZINC001341765119 953249720 /nfs/dbraw/zinc/24/97/20/953249720.db2.gz LOHZIEGVTMXFEF-OAQYLSRUSA-N 1 0 314.382 0.648 20 10 DCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccc(N(C)C)cc1 ZINC001347262180 954058524 /nfs/dbraw/zinc/05/85/24/954058524.db2.gz NTDFDMUXLAQFLB-CJNGLKHVSA-N 1 0 302.422 0.757 20 10 DCCDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001348714798 954441177 /nfs/dbraw/zinc/44/11/77/954441177.db2.gz PXMRZJMLIZWQSM-NSHDSACASA-N 1 0 303.362 0.302 20 10 DCCDRO CCOc1ccc(N2CC[NH+](CCn3cnnn3)CC2)cc1 ZINC001352886025 955813906 /nfs/dbraw/zinc/81/39/06/955813906.db2.gz BJQYLHHGHPMNKA-UHFFFAOYSA-N 1 0 302.382 0.894 20 10 DCCDRO Nc1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC001353493464 956078976 /nfs/dbraw/zinc/07/89/76/956078976.db2.gz YVYMKEWAVMBQKT-GJZGRUSLSA-N 1 0 304.394 0.931 20 10 DCCDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001448018551 1013714687 /nfs/dbraw/zinc/71/46/87/1013714687.db2.gz FXFIYXJHABWUGM-ZDUSSCGKSA-N 1 0 321.421 0.783 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001468172091 1016230507 /nfs/dbraw/zinc/23/05/07/1016230507.db2.gz MQRSBJZIBAFABK-ZDUSSCGKSA-N 1 0 308.378 0.603 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CNS(N)(=O)=O)c1 ZINC001474690676 1017027669 /nfs/dbraw/zinc/02/76/69/1017027669.db2.gz DSBZUSJLEPMGIK-UHFFFAOYSA-N 1 0 303.384 0.062 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCN(C)C2=O)cc1 ZINC001521145905 1017328190 /nfs/dbraw/zinc/32/81/90/1017328190.db2.gz ZELUVJCILKDYDP-CABCVRRESA-N 1 0 318.421 0.737 20 10 DCCDRO CCOc1cccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1O ZINC000093583434 193269211 /nfs/dbraw/zinc/26/92/11/193269211.db2.gz WYBSCDFTGBLQJY-OAHLLOKOSA-N 1 0 324.421 0.916 20 10 DCCDRO COc1c(O)c(C[N@@H+]2CC[C@H](NC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278559994 396131868 /nfs/dbraw/zinc/13/18/68/396131868.db2.gz BDKADUIXAYWYEX-VIFPVBQESA-N 1 0 310.310 0.552 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000237160651 521771365 /nfs/dbraw/zinc/77/13/65/521771365.db2.gz FRCDTWDGLHHPLP-AWEZNQCLSA-N 1 0 318.421 0.338 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C)n2)[NH+](C)C)cc1 ZINC000891246234 658076457 /nfs/dbraw/zinc/07/64/57/658076457.db2.gz AZVZAORVUYLTHL-OAHLLOKOSA-N 1 0 316.409 0.914 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CC(=O)N2)[NH+](C)C)cc1 ZINC000891250579 658085700 /nfs/dbraw/zinc/08/57/00/658085700.db2.gz XOXXHOQFLXWDLH-DZGCQCFKSA-N 1 0 318.421 0.750 20 10 DCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160468549 658092033 /nfs/dbraw/zinc/09/20/33/658092033.db2.gz NDGIRJOCOLCPFM-LBPRGKRZSA-N 1 0 314.407 0.833 20 10 DCCDRO COc1ccc(C[NH2+]CCCS(C)(=O)=O)c(O)c1OC ZINC000892930723 659511745 /nfs/dbraw/zinc/51/17/45/659511745.db2.gz URTARDSOXVVQNV-UHFFFAOYSA-N 1 0 303.380 0.934 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895754429 662212558 /nfs/dbraw/zinc/21/25/58/662212558.db2.gz OJIJOTMQIJFTGI-UHFFFAOYSA-N 1 0 318.395 0.438 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000897609791 662913241 /nfs/dbraw/zinc/91/32/41/662913241.db2.gz MIFZRARRKGKCQI-MNOVXSKESA-N 1 0 314.407 0.757 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC000897610363 662913400 /nfs/dbraw/zinc/91/34/00/662913400.db2.gz RBIHZZDTAZRCAJ-PWSUYJOCSA-N 1 0 314.407 0.757 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC2([NH3+])CC2)cc1 ZINC000911503971 664066286 /nfs/dbraw/zinc/06/62/86/664066286.db2.gz FKTQYTJVYHMYAA-UHFFFAOYSA-N 1 0 304.394 0.319 20 10 DCCDRO CCn1cc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nn1 ZINC000911668499 664097131 /nfs/dbraw/zinc/09/71/31/664097131.db2.gz YGBVWBHODJIOHJ-OAHLLOKOSA-N 1 0 316.409 0.723 20 10 DCCDRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(F)ccc1O ZINC000866551684 667380388 /nfs/dbraw/zinc/38/03/88/667380388.db2.gz BYAYXLCDPNMXEM-BDJLRTHQSA-N 1 0 324.352 0.810 20 10 DCCDRO COc1c(O)c(C[N@@H+]2CCC[C@](O)(CO)C2)ccc1[N+](=O)[O-] ZINC000839152897 667732432 /nfs/dbraw/zinc/73/24/32/667732432.db2.gz CWLSPRXXKIUPPE-CQSZACIVSA-N 1 0 312.322 0.628 20 10 DCCDRO CN1C(=O)[C@H]2C[N@H+](Cc3c(O)ccc4ccncc43)C[C@H]2C1=O ZINC000872714111 667932371 /nfs/dbraw/zinc/93/23/71/667932371.db2.gz MGIWBMDFXJGRBT-OKILXGFUSA-N 1 0 311.341 0.987 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889758029 667992074 /nfs/dbraw/zinc/99/20/74/667992074.db2.gz WNOBYPUZUJJDNC-QWHCGFSZSA-N 1 0 306.362 0.769 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H](C)O)CC2)cc1 ZINC000758184638 668158755 /nfs/dbraw/zinc/15/87/55/668158755.db2.gz FHDTZFZBQDJFGH-HOCLYGCPSA-N 1 0 323.437 0.149 20 10 DCCDRO C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000927033280 668445743 /nfs/dbraw/zinc/44/57/43/668445743.db2.gz OOWJEPBPXDJNFU-FZMZJTMJSA-N 1 0 300.424 0.809 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c[nH]c(=O)n2C)cc1 ZINC000876507054 668458027 /nfs/dbraw/zinc/45/80/27/668458027.db2.gz URNAWHMUSZZMNX-GFCCVEGCSA-N 1 0 303.366 0.622 20 10 DCCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCNC1=O ZINC000876814805 668516152 /nfs/dbraw/zinc/51/61/52/668516152.db2.gz IYTJIJNZNKAZRR-MRXNPFEDSA-N 1 0 303.406 0.968 20 10 DCCDRO CN1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877364328 668609477 /nfs/dbraw/zinc/60/94/77/668609477.db2.gz LTVFQYZBIZNBEF-GOSISDBHSA-N 1 0 319.449 0.804 20 10 DCCDRO OCC1(O)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877629143 668634386 /nfs/dbraw/zinc/63/43/86/668634386.db2.gz QWXLZQIHIDHYHT-UHFFFAOYSA-N 1 0 320.433 0.967 20 10 DCCDRO C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](CO)C1 ZINC000877643447 668635152 /nfs/dbraw/zinc/63/51/52/668635152.db2.gz DXRZLSAEBXXWRT-OAHLLOKOSA-N 1 0 323.412 0.771 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@H]21 ZINC000877633632 668635426 /nfs/dbraw/zinc/63/54/26/668635426.db2.gz OINCRFPEWKOMRK-CFVMTHIKSA-N 1 0 311.403 0.944 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1 ZINC000877731915 668643948 /nfs/dbraw/zinc/64/39/48/668643948.db2.gz DARTUGQGHMPVAI-MRXNPFEDSA-N 1 0 322.361 0.118 20 10 DCCDRO COc1cccc(O)c1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000769469146 668649444 /nfs/dbraw/zinc/64/94/44/668649444.db2.gz SWHMILAIXJFNBQ-ZDUSSCGKSA-N 1 0 310.394 0.526 20 10 DCCDRO CC[NH+]1CCN(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000773761373 668812820 /nfs/dbraw/zinc/81/28/20/668812820.db2.gz QTFXCZUZRHMSOB-CYBMUJFWSA-N 1 0 321.421 0.783 20 10 DCCDRO CC(=O)N(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851227 669399173 /nfs/dbraw/zinc/39/91/73/669399173.db2.gz GGVZVGFYBKIYOP-UHFFFAOYSA-N 1 0 318.421 0.533 20 10 DCCDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(O)c2O)C1 ZINC000790626533 669562326 /nfs/dbraw/zinc/56/23/26/669562326.db2.gz FUTDMCRSYLNBAX-NSHDSACASA-N 1 0 321.377 0.415 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCC(N)=O)cc2)CC1 ZINC000883101426 669649622 /nfs/dbraw/zinc/64/96/22/669649622.db2.gz HSEKEOBBCVOILF-UHFFFAOYSA-N 1 0 319.409 0.113 20 10 DCCDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221572 670536167 /nfs/dbraw/zinc/53/61/67/670536167.db2.gz PKORXHMDNHLZLB-HZPDHXFCSA-N 1 0 323.462 0.891 20 10 DCCDRO COc1cccc(C[NH+]2CCN(c3nncn3C)CC2)c1O ZINC000848924800 670741084 /nfs/dbraw/zinc/74/10/84/670741084.db2.gz BBQITJAKPFZKQM-UHFFFAOYSA-N 1 0 303.366 0.852 20 10 DCCDRO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000850834193 670946405 /nfs/dbraw/zinc/94/64/05/670946405.db2.gz CXUIBTMIYXNTJT-UHFFFAOYSA-N 1 0 321.425 0.207 20 10 DCCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000817914239 670952857 /nfs/dbraw/zinc/95/28/57/670952857.db2.gz TVXYDTPTDZOTJW-OAHLLOKOSA-N 1 0 318.421 0.480 20 10 DCCDRO CCOC(=O)[C@@H]1NCC[C@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944365 670956015 /nfs/dbraw/zinc/95/60/15/670956015.db2.gz ZXBWKEQRXFIZLM-ARFHVFGLSA-N 1 0 320.437 0.636 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858312192 670991736 /nfs/dbraw/zinc/99/17/36/670991736.db2.gz UWBQXIUXFKCTIK-UHFFFAOYSA-N 1 0 312.439 0.333 20 10 DCCDRO Nc1nc(NCc2ccc(N3CCOCC3)cc2)nc(N)[nH+]1 ZINC000858361686 670996655 /nfs/dbraw/zinc/99/66/55/670996655.db2.gz YREIVVMIAYFUIB-UHFFFAOYSA-N 1 0 301.354 0.485 20 10 DCCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc(N)cc1 ZINC000851644414 671003468 /nfs/dbraw/zinc/00/34/68/671003468.db2.gz QELLWHOCDRWBKW-UHFFFAOYSA-N 1 0 306.410 0.290 20 10 DCCDRO Nc1nc(N(Cc2ccccc2O)C[C@H]2CCCO2)nc(N)[nH+]1 ZINC000858460265 671006107 /nfs/dbraw/zinc/00/61/07/671006107.db2.gz XJRRVSMPHNTGGO-LLVKDONJSA-N 1 0 316.365 0.927 20 10 DCCDRO [NH3+]CCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851662481 671007118 /nfs/dbraw/zinc/00/71/18/671007118.db2.gz YRNZWSAWSXNGJZ-UHFFFAOYSA-N 1 0 306.410 0.796 20 10 DCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968551 671081080 /nfs/dbraw/zinc/08/10/80/671081080.db2.gz UNSPBOWWSQUAQJ-GDBMZVCRSA-N 1 0 321.421 0.485 20 10 DCCDRO CC(=O)c1cc(Cl)cc(CN(CC[NH3+])C[C@@H](O)CO)c1O ZINC000852754299 671157256 /nfs/dbraw/zinc/15/72/56/671157256.db2.gz SNBKAGRZBZNNSQ-GFCCVEGCSA-N 1 0 316.785 0.362 20 10 DCCDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853538655 671241479 /nfs/dbraw/zinc/24/14/79/671241479.db2.gz IOLSXHOXDGGOSK-BXUZGUMPSA-N 1 0 320.345 0.845 20 10 DCCDRO CC(C)([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827468573 671528705 /nfs/dbraw/zinc/52/87/05/671528705.db2.gz AERRFJQRZNVGNN-CYBMUJFWSA-N 1 0 318.421 0.742 20 10 DCCDRO COCC[NH2+]CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748537 671683654 /nfs/dbraw/zinc/68/36/54/671683654.db2.gz FTRDPBISRDBEHH-CQSZACIVSA-N 1 0 321.421 0.874 20 10 DCCDRO COC(=O)NCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832271952 671712882 /nfs/dbraw/zinc/71/28/82/671712882.db2.gz AIAWEUGMIGTULT-ZDUSSCGKSA-N 1 0 308.382 0.615 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCN2CCCC2=O)cc1 ZINC000832279613 671713159 /nfs/dbraw/zinc/71/31/59/671713159.db2.gz KTUMVVIHJDRFKX-OAHLLOKOSA-N 1 0 318.421 0.881 20 10 DCCDRO C[NH2+]CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711871 671951295 /nfs/dbraw/zinc/95/12/95/671951295.db2.gz JASRSBSCCTXLBC-UHFFFAOYSA-N 1 0 310.373 0.681 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000841919687 671965837 /nfs/dbraw/zinc/96/58/37/671965837.db2.gz OBWFESFNFCDZKG-UHFFFAOYSA-N 1 0 306.410 0.829 20 10 DCCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841959104 671969062 /nfs/dbraw/zinc/96/90/62/671969062.db2.gz KVNIZVKWEKFDGA-KBPBESRZSA-N 1 0 320.437 0.908 20 10 DCCDRO COCC[NH2+]CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841967400 671969666 /nfs/dbraw/zinc/96/96/66/671969666.db2.gz BHETZKCLAKFTDB-NSHDSACASA-N 1 0 311.382 0.997 20 10 DCCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149571 671986052 /nfs/dbraw/zinc/98/60/52/671986052.db2.gz ARZMGHYWDYSMRV-LBPRGKRZSA-N 1 0 318.421 0.539 20 10 DCCDRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[N@H+](C)C1CC1 ZINC000842194103 671992451 /nfs/dbraw/zinc/99/24/51/671992451.db2.gz SCXJOFUAHKCVHN-LBPRGKRZSA-N 1 0 318.421 0.526 20 10 DCCDRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000842203754 671993903 /nfs/dbraw/zinc/99/39/03/671993903.db2.gz XGEFTGGQXLHGJL-GXTWGEPZSA-N 1 0 318.421 0.798 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202915 671994226 /nfs/dbraw/zinc/99/42/26/671994226.db2.gz MNZMLDGRYPLVHK-JSGCOSHPSA-N 1 0 318.421 0.880 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CC(=O)N(C)C2)cc1 ZINC000843299081 672080525 /nfs/dbraw/zinc/08/05/25/672080525.db2.gz QZDYQTKKRITYLN-OCCSQVGLSA-N 1 0 304.394 0.347 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000843486624 672103314 /nfs/dbraw/zinc/10/33/14/672103314.db2.gz XTBPMVNLPPLLCR-ZSHCYNCHSA-N 1 0 301.390 0.809 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000844220108 672164899 /nfs/dbraw/zinc/16/48/99/672164899.db2.gz SFPTYSZHHICXQZ-CQSZACIVSA-N 1 0 320.437 0.623 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000844220107 672164924 /nfs/dbraw/zinc/16/49/24/672164924.db2.gz SFPTYSZHHICXQZ-AWEZNQCLSA-N 1 0 320.437 0.623 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC(N)=O)C2)cc1C ZINC001691087010 1157576597 /nfs/dbraw/zinc/57/65/97/1157576597.db2.gz CXXJWVRSFIJUMK-OKILXGFUSA-N 1 0 319.405 0.863 20 10 DCCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1=NOC2(C[NH2+]C2)C1 ZINC001577939637 1164854147 /nfs/dbraw/zinc/85/41/47/1164854147.db2.gz MUNWNDIAIKXAOG-UHFFFAOYSA-N 1 0 310.350 0.612 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CC4(C[NH2+]C4)C3)C2)cc1 ZINC001579224794 1165242065 /nfs/dbraw/zinc/24/20/65/1165242065.db2.gz YTFUMLXVCPLCCB-CYBMUJFWSA-N 1 0 316.405 0.889 20 10 DCCDRO O=C(C1=CC(=O)CS1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC001580803582 1165722149 /nfs/dbraw/zinc/72/21/49/1165722149.db2.gz IMZCFXCSSQIVBW-NSHDSACASA-N 1 0 309.391 0.490 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC001587470625 1166507365 /nfs/dbraw/zinc/50/73/65/1166507365.db2.gz LWWKIFXVICTCEW-UHFFFAOYSA-N 1 0 320.389 0.964 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[NH+](C)C)cc1 ZINC001637004704 1171756159 /nfs/dbraw/zinc/75/61/59/1171756159.db2.gz MGEJQOBZKLUDSN-ILXRZTDVSA-N 1 0 318.421 0.593 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001644702459 1172017000 /nfs/dbraw/zinc/01/70/00/1172017000.db2.gz DECGZWGEUQGJOU-CNPQOGTOSA-N 1 0 318.373 0.779 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cn2cncn2)cc1C ZINC001662410489 1174207891 /nfs/dbraw/zinc/20/78/91/1174207891.db2.gz PEANPSPLWBSYIM-ZDUSSCGKSA-N 1 0 317.393 0.890 20 10 DCCDRO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001717097065 1182675894 /nfs/dbraw/zinc/67/58/94/1182675894.db2.gz LYJHEEDSDAAFIO-ZDUSSCGKSA-N 1 0 319.405 0.817 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)CC(C)(C)O)cc1C ZINC001717764029 1182984939 /nfs/dbraw/zinc/98/49/39/1182984939.db2.gz JAMCZMUCTKYVMY-CQSZACIVSA-N 1 0 324.421 0.731 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)C[NH2+]CC2CC2)cc1 ZINC001753946631 1188692544 /nfs/dbraw/zinc/69/25/44/1188692544.db2.gz FQAQPZOJNHSBGC-CYBMUJFWSA-N 1 0 319.365 0.939 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C2CN(C(C)=O)C2)cc1C ZINC001126292309 748385495 /nfs/dbraw/zinc/38/54/95/748385495.db2.gz OLNDVBITYRIESM-UHFFFAOYSA-N 1 0 319.405 0.688 20 10 DCCDRO CNC(=O)NCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128795748 754295419 /nfs/dbraw/zinc/29/54/19/754295419.db2.gz UKHWBGCPSYQBKJ-UHFFFAOYSA-N 1 0 308.382 0.138 20 10 DCCDRO O=C(c1cc(O)c(O)c(O)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC001148584559 768020293 /nfs/dbraw/zinc/02/02/93/768020293.db2.gz TWGITISRLJQGAF-UHFFFAOYSA-N 1 0 322.361 0.740 20 10 DCCDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCO)cc(OC)n1 ZINC001134870917 765718335 /nfs/dbraw/zinc/71/83/35/765718335.db2.gz BQMWKLQDWPCRTR-WDEREUQCSA-N 1 0 311.382 0.578 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001170996644 766389143 /nfs/dbraw/zinc/38/91/43/766389143.db2.gz XJQLDADICAIIAF-CQSZACIVSA-N 1 0 305.378 0.966 20 10 DCCDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(O)c2O)CC1 ZINC001136660567 766416890 /nfs/dbraw/zinc/41/68/90/766416890.db2.gz URYOVRCNBZAYJK-LBPRGKRZSA-N 1 0 307.394 0.854 20 10 DCCDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001119036464 766515905 /nfs/dbraw/zinc/51/59/05/766515905.db2.gz KAZWUMMZHJTBGZ-NSHDSACASA-N 1 0 317.389 0.820 20 10 DCCDRO O=C1COCC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)N1 ZINC001144503756 766960143 /nfs/dbraw/zinc/96/01/43/766960143.db2.gz BWLDAIQDCHUVCM-UHFFFAOYSA-N 1 0 308.334 0.284 20 10 DCCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N)cc2)[C@H](C)C1 ZINC001120591585 767088868 /nfs/dbraw/zinc/08/88/68/767088868.db2.gz BNEIEKCGRUUQCD-CHWSQXEVSA-N 1 0 306.410 0.865 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1O ZINC001140660194 768538359 /nfs/dbraw/zinc/53/83/59/768538359.db2.gz JFOKYPPMBDFEOL-PBHICJAKSA-N 1 0 324.396 0.837 20 10 DCCDRO COC(=O)[C@H]1C[C@H](C(=O)OC)C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141160018 768569737 /nfs/dbraw/zinc/56/97/37/768569737.db2.gz PIGZXSLGRDWGQN-RYUDHWBXSA-N 1 0 323.345 0.882 20 10 DCCDRO COc1cc(N(C)C)ccc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234989560 769736842 /nfs/dbraw/zinc/73/68/42/769736842.db2.gz PSUZLEAUCGVAEC-KRWDZBQOSA-N 1 0 304.438 0.899 20 10 DCCDRO COc1cc(O)c(CN2CC(N3CC[NH+](C)CC3)C2)cc1OC ZINC001236753046 770018384 /nfs/dbraw/zinc/01/83/84/770018384.db2.gz GFFAIFGJRFBWGC-UHFFFAOYSA-N 1 0 321.421 0.841 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c(OC)c1 ZINC001237668404 770073269 /nfs/dbraw/zinc/07/32/69/770073269.db2.gz DNELUOLQUFTTLG-GOEBONIOSA-N 1 0 311.378 0.975 20 10 DCCDRO COC(=O)NCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001155137782 770410274 /nfs/dbraw/zinc/41/02/74/770410274.db2.gz LKEYEKMGLBJLMD-UHFFFAOYSA-N 1 0 323.393 0.956 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)cc1C ZINC001180906472 771199407 /nfs/dbraw/zinc/19/94/07/771199407.db2.gz NCVRRSQVUXXXKF-CYBMUJFWSA-N 1 0 320.393 0.362 20 10 DCCDRO COc1cc(C)c(C[NH2+]CC2CN(S(C)(=O)=O)C2)c(O)c1 ZINC001205495796 772996590 /nfs/dbraw/zinc/99/65/90/772996590.db2.gz GTLXRMFHBHEHAO-UHFFFAOYSA-N 1 0 314.407 0.690 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CN2C(=O)CSC2=S)C1 ZINC001219642518 774570414 /nfs/dbraw/zinc/57/04/14/774570414.db2.gz UTVPUOSMTFZDBM-IUCAKERBSA-N 1 0 301.437 0.209 20 10 DCCDRO COC(=O)C1(NC(=O)C[C@@H]([NH3+])c2ccccc2O)CC[NH2+]CC1 ZINC001220001262 774664653 /nfs/dbraw/zinc/66/46/53/774664653.db2.gz NYNLCUZULUKKLP-GFCCVEGCSA-N 1 0 321.377 0.194 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246087827 945334381 /nfs/dbraw/zinc/33/43/81/945334381.db2.gz ZSPXSGAAYHYXHK-WXHSDQCUSA-N 1 0 308.378 0.912 20 10 DCCDRO C[NH+](C)CCN1CCC2(CN(C(=O)c3cccc(O)c3O)C2)C1 ZINC001269607970 940741163 /nfs/dbraw/zinc/74/11/63/940741163.db2.gz OAXSGIAPYQMUGB-UHFFFAOYSA-N 1 0 319.405 0.807 20 10 DCCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)CC(N)=O)cc1C ZINC001483458756 942367735 /nfs/dbraw/zinc/36/77/35/942367735.db2.gz RYJBUYDKRLKCJL-UHFFFAOYSA-N 1 0 307.394 0.817 20 10 DCCDRO CN(C)c1ccc([C@H](O)C(=O)N2CC3(C2)CC[N@H+](C)C3)cc1 ZINC001272779875 944223727 /nfs/dbraw/zinc/22/37/27/944223727.db2.gz RETAUNMGUGHFHE-HNNXBMFYSA-N 1 0 303.406 0.950 20 10 DCCDRO CN(C)c1ccc([C@H](O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001272784586 944225614 /nfs/dbraw/zinc/22/56/14/944225614.db2.gz WDHZAPOQCNWMGI-IMJJTQAJSA-N 1 0 303.406 0.949 20 10 DCCDRO COc1ccc(C[NH+]2CC3(C2)CCOC[C@@H]3C(N)=O)c(O)c1 ZINC001277453675 944825494 /nfs/dbraw/zinc/82/54/94/944825494.db2.gz FQECYBMSMSINKM-CYBMUJFWSA-N 1 0 306.362 0.725 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]C3(C(N)=O)CC3)cc2F)CC1 ZINC001321076006 946155396 /nfs/dbraw/zinc/15/53/96/946155396.db2.gz QWAYWEHPSWDCOZ-UHFFFAOYSA-N 1 0 306.385 0.685 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCOC3)cc2F)CC1 ZINC001321337481 946281778 /nfs/dbraw/zinc/28/17/78/946281778.db2.gz BYPZLPFIVOXRIC-KRWDZBQOSA-N 1 0 323.412 0.819 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[NH2+]CCN3C)C2)cc1 ZINC001263154498 947815139 /nfs/dbraw/zinc/81/51/39/947815139.db2.gz UWPHCGNSVBCKOS-XJKSGUPXSA-N 1 0 318.421 0.294 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC001326037221 948028841 /nfs/dbraw/zinc/02/88/41/948028841.db2.gz FAEWZJNSPUKBFO-MRXNPFEDSA-N 1 0 316.405 0.333 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H](C)[NH2+]1 ZINC001326473815 948176673 /nfs/dbraw/zinc/17/66/73/948176673.db2.gz OLMJJWBHRQLFDK-TXEJJXNPSA-N 1 0 305.378 0.559 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331183045 950998475 /nfs/dbraw/zinc/99/84/75/950998475.db2.gz HFNKWUSXGDCCGO-XBXGTLAGSA-N 1 0 319.405 0.984 20 10 DCCDRO [NH3+]C[C@@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC001331191657 951008154 /nfs/dbraw/zinc/00/81/54/951008154.db2.gz JWYZXJLIEYIYLW-CQSZACIVSA-N 1 0 317.389 0.868 20 10 DCCDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331636236 951211988 /nfs/dbraw/zinc/21/19/88/951211988.db2.gz JNMWJMNWZAGMEP-LLVKDONJSA-N 1 0 303.362 0.350 20 10 DCCDRO COc1ccc(N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1 ZINC001274789912 951835914 /nfs/dbraw/zinc/83/59/14/951835914.db2.gz DRKWBPYONOZAFW-UHFFFAOYSA-N 1 0 319.405 0.674 20 10 DCCDRO COCCOCN1CCO[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001275267673 952038319 /nfs/dbraw/zinc/03/83/19/952038319.db2.gz VJKZLESXVWXOJT-RDJZCZTQSA-N 1 0 322.405 0.898 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C12CC(C1)C[NH2+]2 ZINC001343394034 953343577 /nfs/dbraw/zinc/34/35/77/953343577.db2.gz XYAZWRVKAMOLML-UHFFFAOYSA-N 1 0 301.390 0.891 20 10 DCCDRO C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@H]1C[N@H+](C)CCN1C ZINC001346768832 953956578 /nfs/dbraw/zinc/95/65/78/953956578.db2.gz ZWAUOALATXAJBM-BXUZGUMPSA-N 1 0 324.400 0.965 20 10 DCCDRO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001348714667 954441845 /nfs/dbraw/zinc/44/18/45/954441845.db2.gz OJGWJPWXJSHNBY-ZDUSSCGKSA-N 1 0 317.389 0.964 20 10 DCCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CN1 ZINC001349761777 954872609 /nfs/dbraw/zinc/87/26/09/954872609.db2.gz MJAJRGCJYBRSDC-CQSZACIVSA-N 1 0 303.406 0.873 20 10 DCCDRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C[NH2+]1 ZINC001350050429 954975091 /nfs/dbraw/zinc/97/50/91/954975091.db2.gz KWRNFGCWFBFYFI-PWSUYJOCSA-N 1 0 303.362 0.491 20 10 DCCDRO O=C1NC(=O)[C@]2(CCC[C@H]2C[NH2+]Cc2cc(F)ccc2O)N1 ZINC001308752202 960183399 /nfs/dbraw/zinc/18/33/99/960183399.db2.gz YXWLMGSMVQEKKK-ZUZCIYMTSA-N 1 0 307.325 0.999 20 10 DCCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001333187439 961665127 /nfs/dbraw/zinc/66/51/27/961665127.db2.gz NBMCMAKDOVLKTI-DOMZBBRYSA-N 1 0 307.394 0.362 20 10 DCCDRO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CC[NH+](C)CC1 ZINC001542938860 1012493248 /nfs/dbraw/zinc/49/32/48/1012493248.db2.gz RAEZCCLOUMKWLT-GFCCVEGCSA-N 1 0 307.394 0.392 20 10 DCCDRO CCOc1cccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000272724780 130058659 /nfs/dbraw/zinc/05/86/59/130058659.db2.gz GAJOHBNXMAJIIK-UHFFFAOYSA-N 1 0 319.361 0.965 20 10 DCCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072629591 396133286 /nfs/dbraw/zinc/13/32/86/396133286.db2.gz FCACCQGZBVWDPB-CYBMUJFWSA-N 1 0 306.322 0.990 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)CC[NH3+])CC2)cc1 ZINC000295209167 396685410 /nfs/dbraw/zinc/68/54/10/396685410.db2.gz PVSQDEGRXJVSHU-UHFFFAOYSA-N 1 0 306.410 0.282 20 10 DCCDRO CO[C@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000289933745 415737666 /nfs/dbraw/zinc/73/76/66/415737666.db2.gz LBZCHJVRWYBFMG-CQSZACIVSA-N 1 0 311.357 0.252 20 10 DCCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000529666317 417484004 /nfs/dbraw/zinc/48/40/04/417484004.db2.gz WKEZMHQZJIDFQT-UHFFFAOYSA-N 1 0 323.368 0.702 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cn3cncn3)cc2)CC1 ZINC000893608490 660950628 /nfs/dbraw/zinc/95/06/28/660950628.db2.gz VGNMQTILSWREGB-UHFFFAOYSA-N 1 0 314.393 0.346 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cc1C ZINC000980690910 660986408 /nfs/dbraw/zinc/98/64/08/660986408.db2.gz YAVFRAHSJWSXQA-GXTWGEPZSA-N 1 0 319.405 0.816 20 10 DCCDRO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(F)ccc1O ZINC000925790594 661077882 /nfs/dbraw/zinc/07/78/82/661077882.db2.gz BUFZNMPRWKKIOS-JQWIXIFHSA-N 1 0 316.398 0.959 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCO)C2)cc(OC)n1 ZINC000981199419 661099266 /nfs/dbraw/zinc/09/92/66/661099266.db2.gz PWDBSXJSXJCKEI-OLZOCXBDSA-N 1 0 323.393 0.722 20 10 DCCDRO CNC(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254153 658091966 /nfs/dbraw/zinc/09/19/66/658091966.db2.gz WLYBROXAKDVHLR-AWEZNQCLSA-N 1 0 321.425 0.401 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CCO)[C@@H](C)C2)cc(OC)n1 ZINC000947498554 658403760 /nfs/dbraw/zinc/40/37/60/658403760.db2.gz VUBIONCZRMKGHY-WCQYABFASA-N 1 0 323.393 0.674 20 10 DCCDRO [NH3+]C[C@H]1CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000841856670 661918692 /nfs/dbraw/zinc/91/86/92/661918692.db2.gz JZDDLWGTHCOPRJ-JTQLQIEISA-N 1 0 316.452 0.994 20 10 DCCDRO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237210847 662086716 /nfs/dbraw/zinc/08/67/16/662086716.db2.gz FKURBYJJNHZMFB-AWEZNQCLSA-N 1 0 321.421 0.936 20 10 DCCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000895134269 662115158 /nfs/dbraw/zinc/11/51/58/662115158.db2.gz BTTXRSRYLPORIG-GFCCVEGCSA-N 1 0 314.407 0.833 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000895314949 662166004 /nfs/dbraw/zinc/16/60/04/662166004.db2.gz UKQOYKVNFDGEPD-OKILXGFUSA-N 1 0 304.394 0.080 20 10 DCCDRO CN(C)c1ccc(/C=C/C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC000895314286 662166191 /nfs/dbraw/zinc/16/61/91/662166191.db2.gz KWILDSPLTQMFJW-WCYDHSITSA-N 1 0 316.405 0.284 20 10 DCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895709099 662209440 /nfs/dbraw/zinc/20/94/40/662209440.db2.gz ZPCGQARAEJZHFE-QGZVFWFLSA-N 1 0 320.389 0.633 20 10 DCCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000896315358 662260044 /nfs/dbraw/zinc/26/00/44/662260044.db2.gz SDVXMNZANKZDGX-UHFFFAOYSA-N 1 0 320.436 0.848 20 10 DCCDRO CN(C)c1ccc(CN(C)S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000040861798 663050985 /nfs/dbraw/zinc/05/09/85/663050985.db2.gz BDIWVVIATMDREO-UHFFFAOYSA-N 1 0 312.439 0.334 20 10 DCCDRO O=C1NCC2(CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)O1 ZINC000902502182 663416190 /nfs/dbraw/zinc/41/61/90/663416190.db2.gz MDRMWEFAELYFHN-CYBMUJFWSA-N 1 0 320.345 0.892 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000911225706 664011587 /nfs/dbraw/zinc/01/15/87/664011587.db2.gz JBTVHQBGFGODRD-LLVKDONJSA-N 1 0 304.394 0.537 20 10 DCCDRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922020409 666228760 /nfs/dbraw/zinc/22/87/60/666228760.db2.gz IDJMBBWBPOVTAW-UHFFFAOYSA-N 1 0 310.419 0.993 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc1F ZINC000861568269 666945448 /nfs/dbraw/zinc/94/54/48/666945448.db2.gz RYVUIEVMUHJKHN-LBPRGKRZSA-N 1 0 310.373 0.679 20 10 DCCDRO Cc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(O)c1O ZINC000861716181 666964263 /nfs/dbraw/zinc/96/42/63/666964263.db2.gz SUTNECXVVOGMAT-RYUDHWBXSA-N 1 0 306.362 0.687 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000861749609 666972110 /nfs/dbraw/zinc/97/21/10/666972110.db2.gz FELCEMIBEVSIJS-UHFFFAOYSA-N 1 0 318.421 0.492 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1 ZINC000865687033 667338797 /nfs/dbraw/zinc/33/87/97/667338797.db2.gz WIFCNOQQFICGHQ-QWRGUYRKSA-N 1 0 324.377 0.947 20 10 DCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865687034 667338839 /nfs/dbraw/zinc/33/88/39/667338839.db2.gz WJQOWOZVDHSBRT-QWRGUYRKSA-N 1 0 306.362 0.777 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1C ZINC000865800476 667349171 /nfs/dbraw/zinc/34/91/71/667349171.db2.gz JBJGEHNTRVIKLV-KRWDZBQOSA-N 1 0 320.389 0.721 20 10 DCCDRO O=C1COC[C@]2(C[NH2+][C@@H]3CCc4cccc(O)c43)COCCN12 ZINC000866552889 667380889 /nfs/dbraw/zinc/38/08/89/667380889.db2.gz CTGVFCRNZLYNRW-DYVFJYSZSA-N 1 0 318.373 0.597 20 10 DCCDRO CN(C)c1ccc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000866745208 667393153 /nfs/dbraw/zinc/39/31/53/667393153.db2.gz UQNDKAUSEJUXTN-CQSZACIVSA-N 1 0 313.423 0.160 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c[nH]c(=O)n2C)cc1 ZINC000876507055 668457873 /nfs/dbraw/zinc/45/78/73/668457873.db2.gz URNAWHMUSZZMNX-LBPRGKRZSA-N 1 0 303.366 0.622 20 10 DCCDRO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506417 668458155 /nfs/dbraw/zinc/45/81/55/668458155.db2.gz JXCUMUCACIXSHJ-CVEARBPZSA-N 1 0 318.421 0.880 20 10 DCCDRO COC(=O)C[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000766458284 668536063 /nfs/dbraw/zinc/53/60/63/668536063.db2.gz GVRBXKPGMSBIQO-OAHLLOKOSA-N 1 0 309.318 0.933 20 10 DCCDRO C[C@@]12C[NH+](Cc3cc4c(cc3O)OCO4)C[C@@]1(C)C(=O)NC2=O ZINC000877668444 668637774 /nfs/dbraw/zinc/63/77/74/668637774.db2.gz IPZHMUFCVOLVEN-HOTGVXAUSA-N 1 0 318.329 0.606 20 10 DCCDRO CC[NH+]1CCN(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000773761376 668812776 /nfs/dbraw/zinc/81/27/76/668812776.db2.gz QTFXCZUZRHMSOB-ZDUSSCGKSA-N 1 0 321.421 0.783 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2C(=O)CNC2=O)c1 ZINC000775370504 668861436 /nfs/dbraw/zinc/86/14/36/668861436.db2.gz GOUSYOAHCGDNLT-SNVBAGLBSA-N 1 0 307.350 0.993 20 10 DCCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000775733757 668866982 /nfs/dbraw/zinc/86/69/82/668866982.db2.gz HXSNEFQOZXCTRF-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931281714 669173974 /nfs/dbraw/zinc/17/39/74/669173974.db2.gz WCUZQUZAUJCPRV-VQFNDLOPSA-N 1 0 316.449 0.861 20 10 DCCDRO CNC(=O)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852394 669399266 /nfs/dbraw/zinc/39/92/66/669399266.db2.gz OKXYBMOPBSRCMN-UHFFFAOYSA-N 1 0 304.394 0.191 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767887 669508150 /nfs/dbraw/zinc/50/81/50/669508150.db2.gz FAECPGSDOOXUSE-HNNXBMFYSA-N 1 0 305.334 0.575 20 10 DCCDRO COc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000792933457 669692710 /nfs/dbraw/zinc/69/27/10/669692710.db2.gz ZOBHFNVLDYZKEO-CYBMUJFWSA-N 1 0 322.409 0.446 20 10 DCCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817918403 670953035 /nfs/dbraw/zinc/95/30/35/670953035.db2.gz JALGZJKPJSSVOB-AWEZNQCLSA-N 1 0 318.421 0.531 20 10 DCCDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851669260 671009034 /nfs/dbraw/zinc/00/90/34/671009034.db2.gz ZDLGDHZVHPPENW-LBPRGKRZSA-N 1 0 306.410 0.794 20 10 DCCDRO COCC[N@H+](C)CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168437 671099678 /nfs/dbraw/zinc/09/96/78/671099678.db2.gz QASJHAAUEOFJBB-UHFFFAOYSA-N 1 0 321.377 0.735 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000852843677 671171750 /nfs/dbraw/zinc/17/17/50/671171750.db2.gz DTHWIKMBVIWXTL-WFASDCNBSA-N 1 0 305.378 0.379 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ccccc2=O)cc1 ZINC000832292915 671713397 /nfs/dbraw/zinc/71/33/97/671713397.db2.gz NEKILUAPKLOXIT-OAHLLOKOSA-N 1 0 314.389 0.731 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccn(C)c(=O)c2)cc1 ZINC000832292556 671713593 /nfs/dbraw/zinc/71/35/93/671713593.db2.gz JBIWMEQVNLIVAU-HNNXBMFYSA-N 1 0 314.389 0.881 20 10 DCCDRO CCCN(C)S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784083 671827989 /nfs/dbraw/zinc/82/79/89/671827989.db2.gz GGVOTAWGAMPHAO-AWEZNQCLSA-N 1 0 314.455 0.929 20 10 DCCDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711853 671951451 /nfs/dbraw/zinc/95/14/51/671951451.db2.gz ITJRUWMJJZPNCY-NSHDSACASA-N 1 0 310.373 0.809 20 10 DCCDRO C[C@H]1COCCN1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841789086 671955153 /nfs/dbraw/zinc/95/51/53/671955153.db2.gz KYWBGLCWMOULHX-ZDUSSCGKSA-N 1 0 306.410 0.831 20 10 DCCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000841892842 671963811 /nfs/dbraw/zinc/96/38/11/671963811.db2.gz YJVJXJYMCNBZGW-CYBMUJFWSA-N 1 0 306.362 0.954 20 10 DCCDRO Nc1ccc(CCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000841956171 671968891 /nfs/dbraw/zinc/96/88/91/671968891.db2.gz XJMRVKPBDOUVDF-MRXNPFEDSA-N 1 0 320.437 0.957 20 10 DCCDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035753 671977480 /nfs/dbraw/zinc/97/74/80/671977480.db2.gz IINMONDHCNHCGI-WFASDCNBSA-N 1 0 318.421 0.483 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000842035376 671977629 /nfs/dbraw/zinc/97/76/29/671977629.db2.gz GIKAAQMOIZTNPF-BETUJISGSA-N 1 0 318.421 0.578 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842035178 671977638 /nfs/dbraw/zinc/97/76/38/671977638.db2.gz DRPXVUMTPQNTLG-UONOGXRCSA-N 1 0 318.421 0.755 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000842036157 671978055 /nfs/dbraw/zinc/97/80/55/671978055.db2.gz KPACBMAEKDLQNH-AWEZNQCLSA-N 1 0 318.421 0.627 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCC[NH3+] ZINC000842070975 671980870 /nfs/dbraw/zinc/98/08/70/671980870.db2.gz VQVJVFDGSJXHPP-GFCCVEGCSA-N 1 0 306.410 0.183 20 10 DCCDRO COc1c(O)c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843056429 672057231 /nfs/dbraw/zinc/05/72/31/672057231.db2.gz JQOMJYCENIKITH-JOYOIKCWSA-N 1 0 311.338 0.857 20 10 DCCDRO CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C[NH3+])C1 ZINC000843120235 672064010 /nfs/dbraw/zinc/06/40/10/672064010.db2.gz ANSIEKLWZAHIAQ-OAHLLOKOSA-N 1 0 322.428 0.737 20 10 DCCDRO COc1c(O)c(CN2CCN(C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000843122782 672065011 /nfs/dbraw/zinc/06/50/11/672065011.db2.gz UWZZODGENZCSEN-LLVKDONJSA-N 1 0 310.354 0.384 20 10 DCCDRO Nc1ccc(CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1 ZINC000843342100 672084967 /nfs/dbraw/zinc/08/49/67/672084967.db2.gz IXHFHOQMVMFCJU-UHFFFAOYSA-N 1 0 313.405 0.903 20 10 DCCDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc2c(cc1O)OCO2 ZINC000843428497 672094713 /nfs/dbraw/zinc/09/47/13/672094713.db2.gz JSDPCFDLWOLFBA-LLVKDONJSA-N 1 0 321.377 0.673 20 10 DCCDRO O[C@@H]1CC[N@@H+](C2CN(Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000846067246 672292106 /nfs/dbraw/zinc/29/21/06/672292106.db2.gz BHYWXEUEMHHEME-GOSISDBHSA-N 1 0 317.433 0.774 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c(O)cc1O ZINC001273793572 1158909327 /nfs/dbraw/zinc/90/93/27/1158909327.db2.gz QDPZWSYAYFGKLY-INIZCTEOSA-N 1 0 322.361 0.540 20 10 DCCDRO CN1CCN(c2ccc(CNC[C@H]3C[NH2+]C[C@H]3O)cc2F)CC1 ZINC001578537153 1165051012 /nfs/dbraw/zinc/05/10/12/1165051012.db2.gz PEDNJKVAEWAZCU-WMLDXEAASA-N 1 0 322.428 0.247 20 10 DCCDRO O=C(NCc1cccc(O)c1O)c1cnnn1C1CC[NH2+]CC1 ZINC001580718431 1165699448 /nfs/dbraw/zinc/69/94/48/1165699448.db2.gz IEJNBZOUYPSDIJ-UHFFFAOYSA-N 1 0 317.349 0.544 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)c(O)c1OC ZINC001621382846 1171409136 /nfs/dbraw/zinc/40/91/36/1171409136.db2.gz YASQEGTWFOHSFU-NSHDSACASA-N 1 0 308.338 0.152 20 10 DCCDRO O=C(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCCO1 ZINC001657121763 1173908448 /nfs/dbraw/zinc/90/84/48/1173908448.db2.gz RBSBUJSOEONRRB-UHFFFAOYSA-N 1 0 319.405 0.901 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001669450418 1174927411 /nfs/dbraw/zinc/92/74/11/1174927411.db2.gz GBTFOCGHCVEKDX-OCCSQVGLSA-N 1 0 319.405 0.877 20 10 DCCDRO COc1ccc(C[NH2+]C2(CNC(=O)CNC(C)=O)CC2)cc1C ZINC001699643180 1178234211 /nfs/dbraw/zinc/23/42/11/1178234211.db2.gz COWLDBWZABFRTI-UHFFFAOYSA-N 1 0 319.405 0.878 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]c2)cc1C ZINC001717760313 1182981659 /nfs/dbraw/zinc/98/16/59/1182981659.db2.gz QTVGJELJECBJEP-CQSZACIVSA-N 1 0 318.377 0.607 20 10 DCCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000697286144 749523768 /nfs/dbraw/zinc/52/37/68/749523768.db2.gz IHNMYTJWLQOMRC-PWSUYJOCSA-N 1 0 305.783 0.947 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)CC(N)=O)cc1C ZINC001132345558 764400165 /nfs/dbraw/zinc/40/01/65/764400165.db2.gz RQADKJFIKBKNHN-GFCCVEGCSA-N 1 0 307.394 0.721 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)cc1C ZINC001132386522 764420970 /nfs/dbraw/zinc/42/09/70/764420970.db2.gz JENIBFNSZXNQFG-ZDUSSCGKSA-N 1 0 320.393 0.233 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001170996643 766389864 /nfs/dbraw/zinc/38/98/64/766389864.db2.gz XJQLDADICAIIAF-AWEZNQCLSA-N 1 0 305.378 0.966 20 10 DCCDRO COCCN1C[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1=O ZINC001144508784 766963517 /nfs/dbraw/zinc/96/35/17/766963517.db2.gz YDQUYYBBHREVGR-JQWIXIFHSA-N 1 0 322.361 0.340 20 10 DCCDRO CC(C)NC(=O)CN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509287 766964830 /nfs/dbraw/zinc/96/48/30/766964830.db2.gz RVQYONCAQINVJB-UHFFFAOYSA-N 1 0 323.393 0.446 20 10 DCCDRO CN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516089 766966106 /nfs/dbraw/zinc/96/61/06/766966106.db2.gz OYNFPIPNNDXSCO-LLVKDONJSA-N 1 0 323.393 0.446 20 10 DCCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC001140283632 768523652 /nfs/dbraw/zinc/52/36/52/768523652.db2.gz ZBVHPWCWYYWGRI-QAPCUYQASA-N 1 0 320.433 0.823 20 10 DCCDRO COCCn1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1=O ZINC001240491032 770248702 /nfs/dbraw/zinc/24/87/02/770248702.db2.gz BONBXFQUVLFHMA-UHFFFAOYSA-N 1 0 314.389 0.966 20 10 DCCDRO Cn1cncc1C[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160871951 772129974 /nfs/dbraw/zinc/12/99/74/772129974.db2.gz BYRLMSIETWJETQ-AWEZNQCLSA-N 1 0 300.362 0.580 20 10 DCCDRO COc1cc(CN(C)CC(=O)N2CCOCC2)cc(O)c1O ZINC001204342889 772946051 /nfs/dbraw/zinc/94/60/51/772946051.db2.gz OBCHVVPIGLZPIM-UHFFFAOYSA-N 1 0 310.350 0.397 20 10 DCCDRO CC1([NH3+])CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001204994064 772971592 /nfs/dbraw/zinc/97/15/92/772971592.db2.gz QXDQQDJSCHSDAP-UHFFFAOYSA-N 1 0 309.435 0.454 20 10 DCCDRO Cc1cc(Br)cc(CN2C[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205363814 772989274 /nfs/dbraw/zinc/98/92/74/772989274.db2.gz SZKMURZOEGIEDK-GHMZBOCLSA-N 1 0 301.184 0.967 20 10 DCCDRO COc1c([O-])c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC001207235446 773184620 /nfs/dbraw/zinc/18/46/20/773184620.db2.gz WSJLBEYDNFIYNQ-PHIMTYICSA-N 1 0 312.322 0.342 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCNC2=O)cc1C ZINC001266800123 939239490 /nfs/dbraw/zinc/23/94/90/939239490.db2.gz NFKRHIBDLQBCAN-AWEZNQCLSA-N 1 0 319.405 0.688 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)OC)cc1C ZINC001268298357 940031862 /nfs/dbraw/zinc/03/18/62/940031862.db2.gz JVPOSKHGWIWMDW-JSGCOSHPSA-N 1 0 310.394 0.605 20 10 DCCDRO COc1cc(CN2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)cc(O)c1O ZINC001277219092 944713837 /nfs/dbraw/zinc/71/38/37/944713837.db2.gz OFXQCGWRSFZLQT-SUNKGSAMSA-N 1 0 322.361 0.571 20 10 DCCDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H](O)CN1CCOCC1)CCC2 ZINC001251022209 945709340 /nfs/dbraw/zinc/70/93/40/945709340.db2.gz XQWZXHKDCMBZLI-HNNXBMFYSA-N 1 0 322.405 0.539 20 10 DCCDRO CN1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)cc2F)CC1 ZINC001320406969 945864600 /nfs/dbraw/zinc/86/46/00/945864600.db2.gz DCBOMCQFQAMUME-GJZGRUSLSA-N 1 0 323.412 0.505 20 10 DCCDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001261379234 947265131 /nfs/dbraw/zinc/26/51/31/947265131.db2.gz WWMQOVUSGBEEQK-GFCCVEGCSA-N 1 0 306.410 0.341 20 10 DCCDRO CC(C)(O)[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001263095116 947806040 /nfs/dbraw/zinc/80/60/40/947806040.db2.gz CPNPVZRSADXSDE-CQSZACIVSA-N 1 0 307.394 0.238 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001326194841 948090428 /nfs/dbraw/zinc/09/04/28/948090428.db2.gz ZCKDPLBYZNYMMK-GXTWGEPZSA-N 1 0 319.405 0.984 20 10 DCCDRO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001327545796 948546278 /nfs/dbraw/zinc/54/62/78/948546278.db2.gz QWEGLURNSMRUKZ-UHFFFAOYSA-N 1 0 307.394 0.855 20 10 DCCDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001330130091 950137539 /nfs/dbraw/zinc/13/75/39/950137539.db2.gz JQVWNGJDYYXBSV-GFCCVEGCSA-N 1 0 315.373 0.587 20 10 DCCDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332128656 951492192 /nfs/dbraw/zinc/49/21/92/951492192.db2.gz RWLRTURNZYSZQP-VXGBXAGGSA-N 1 0 317.389 0.820 20 10 DCCDRO Cc1cccc(O)c1C[NH+]1CC2(C1)COCC(=O)N2C1COC1 ZINC001274303861 951548253 /nfs/dbraw/zinc/54/82/53/951548253.db2.gz NPSZOHCTAAVNKC-UHFFFAOYSA-N 1 0 318.373 0.513 20 10 DCCDRO O=C(NCC1=CC[NH2+]CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001333975016 952215065 /nfs/dbraw/zinc/21/50/65/952215065.db2.gz BBOGINJOHGLVKQ-UHFFFAOYSA-N 1 0 301.346 0.270 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275821070 952477874 /nfs/dbraw/zinc/47/78/74/952477874.db2.gz HOAFRVCZKFJESD-KGLIPLIRSA-N 1 0 319.405 0.692 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CO[C@@H]2CCOC2)cc1 ZINC001349139262 954612632 /nfs/dbraw/zinc/61/26/32/954612632.db2.gz TVMJXJKYTJFHLP-CABCVRRESA-N 1 0 307.394 0.674 20 10 DCCDRO C[C@@H]1C[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC001350042027 954973854 /nfs/dbraw/zinc/97/38/54/954973854.db2.gz OIQIKIXMYGTXNR-ZYHUDNBSSA-N 1 0 303.362 0.491 20 10 DCCDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1Cc2cccc(O)c2C1 ZINC001350047790 954976988 /nfs/dbraw/zinc/97/69/88/954976988.db2.gz YAZLIIBVSTZRHJ-CQSZACIVSA-N 1 0 315.373 0.635 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O ZINC001350299769 955050592 /nfs/dbraw/zinc/05/05/92/955050592.db2.gz IPSMWJZOGKHJRU-LBPRGKRZSA-N 1 0 321.377 0.124 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1 ZINC000377524386 529781244 /nfs/dbraw/zinc/78/12/44/529781244.db2.gz MNMFJWWYYBTBMT-CQSZACIVSA-N 1 0 318.421 0.566 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1COCC[NH2+]1 ZINC000367642866 529786226 /nfs/dbraw/zinc/78/62/26/529786226.db2.gz KTUNCNAZMYLCJD-LBPRGKRZSA-N 1 0 305.378 0.857 20 10 DCCDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000081554370 192289472 /nfs/dbraw/zinc/28/94/72/192289472.db2.gz AUILUTMDTOGTFY-ZDUSSCGKSA-N 1 0 320.437 0.683 20 10 DCCDRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1O ZINC000378056726 239245926 /nfs/dbraw/zinc/24/59/26/239245926.db2.gz RNRJXNNWHMZXAJ-RYUDHWBXSA-N 1 0 306.362 0.999 20 10 DCCDRO COC(=O)c1cn(CC[NH2+]Cc2cc3c(cc2O)OCO3)nn1 ZINC000284152489 131053908 /nfs/dbraw/zinc/05/39/08/131053908.db2.gz VVEIVZDMAYNQKK-UHFFFAOYSA-N 1 0 320.305 0.289 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC[NH+](C)C)cc1F ZINC000285720366 131196438 /nfs/dbraw/zinc/19/64/38/131196438.db2.gz NHDLLQXETBXMJN-UHFFFAOYSA-N 1 0 324.400 0.528 20 10 DCCDRO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccccc1O ZINC000109772277 395798842 /nfs/dbraw/zinc/79/88/42/395798842.db2.gz HUOOKUCNLJILFM-GFCCVEGCSA-N 1 0 319.405 0.936 20 10 DCCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(=O)C[NH3+] ZINC000237217531 395907027 /nfs/dbraw/zinc/90/70/27/395907027.db2.gz CHTQANKOBRKWGR-UHFFFAOYSA-N 1 0 318.421 0.710 20 10 DCCDRO COc1ccc(C[NH2+]CCNS(=O)(=O)NC(C)C)cc1C ZINC000277085202 396048602 /nfs/dbraw/zinc/04/86/02/396048602.db2.gz URUAJEPIWRLCMM-UHFFFAOYSA-N 1 0 315.439 0.926 20 10 DCCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000278165577 396109671 /nfs/dbraw/zinc/10/96/71/396109671.db2.gz BYRYKJFHRJEFOD-HNNXBMFYSA-N 1 0 307.394 0.503 20 10 DCCDRO COc1ccc(N2CCN(C(=O)NCC[NH3+])CC2)c(OC)c1 ZINC000891975549 658039605 /nfs/dbraw/zinc/03/96/05/658039605.db2.gz CRVTWZCPRPSVCO-UHFFFAOYSA-N 1 0 308.382 0.494 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)nn2)[NH+](C)C)cc1 ZINC000891247898 658081751 /nfs/dbraw/zinc/08/17/51/658081751.db2.gz LFFXFIOGZMZNML-OAHLLOKOSA-N 1 0 316.409 0.914 20 10 DCCDRO COc1ccc(CN2CCN(C(=O)[C@H](C)O)CC2)c(O)c1OC ZINC000892124959 658205755 /nfs/dbraw/zinc/20/57/55/658205755.db2.gz FOFQNQHRYXEAAS-NSHDSACASA-N 1 0 324.377 0.434 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)c(O)c1OC ZINC000894256594 661740126 /nfs/dbraw/zinc/74/01/26/661740126.db2.gz HTFSADJMAPQDEJ-VIFPVBQESA-N 1 0 300.330 0.973 20 10 DCCDRO COc1c([O-])c(C[NH2+]CCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841028481 662910013 /nfs/dbraw/zinc/91/00/13/662910013.db2.gz HBNBJZNNBDVLLZ-UHFFFAOYSA-N 1 0 324.381 0.694 20 10 DCCDRO C[NH+](C)CCn1nccc1C(=O)NCc1ccc(O)cc1O ZINC000910944149 663960880 /nfs/dbraw/zinc/96/08/80/663960880.db2.gz LNJLLIGFTYURIO-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000911225979 664011638 /nfs/dbraw/zinc/01/16/38/664011638.db2.gz MFQPFJACHDSOMI-TYNCELHUSA-N 1 0 318.421 0.654 20 10 DCCDRO Cc1ccc(C(=O)N(CCO)C2CC[NH+](C)CC2)c(O)c1O ZINC000911941919 664124414 /nfs/dbraw/zinc/12/44/14/664124414.db2.gz YLDUKTIIWODZNB-UHFFFAOYSA-N 1 0 308.378 0.935 20 10 DCCDRO CO[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCS(=O)(=O)C1 ZINC000922614053 666495403 /nfs/dbraw/zinc/49/54/03/666495403.db2.gz BWIQIQRRFLTLLY-HNNXBMFYSA-N 1 0 311.403 0.915 20 10 DCCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884520241 667559656 /nfs/dbraw/zinc/55/96/56/667559656.db2.gz PVRDNZODFPAEDJ-ZYHUDNBSSA-N 1 0 322.384 0.456 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1Cn1cccn1 ZINC000873147579 667975487 /nfs/dbraw/zinc/97/54/87/667975487.db2.gz XINUPSLQSDQEOZ-CABCVRRESA-N 1 0 303.362 0.789 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC/C=C/CO)cc2)CC1 ZINC000889661405 667981940 /nfs/dbraw/zinc/98/19/40/667981940.db2.gz ZPINNXKYTSMDKJ-NSCUHMNNSA-N 1 0 318.421 0.786 20 10 DCCDRO CCOc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(O)c1 ZINC000761217823 668314927 /nfs/dbraw/zinc/31/49/27/668314927.db2.gz ZCEUMXPKYZCRLZ-UHFFFAOYSA-N 1 0 319.361 0.965 20 10 DCCDRO C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000927033279 668445994 /nfs/dbraw/zinc/44/59/94/668445994.db2.gz OOWJEPBPXDJNFU-BXUZGUMPSA-N 1 0 300.424 0.809 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)CCN(C)C2=O)cc1 ZINC000876505720 668457269 /nfs/dbraw/zinc/45/72/69/668457269.db2.gz ATTMRZIIYBUIPN-PBHICJAKSA-N 1 0 318.421 0.737 20 10 DCCDRO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506419 668458132 /nfs/dbraw/zinc/45/81/32/668458132.db2.gz JXCUMUCACIXSHJ-HZPDHXFCSA-N 1 0 318.421 0.880 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H](N)C[NH+](C)C)CC2)cc1F ZINC000876780586 668509979 /nfs/dbraw/zinc/50/99/79/668509979.db2.gz HWBZZHXZURIVEL-AWEZNQCLSA-N 1 0 324.400 0.372 20 10 DCCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877336702 668603990 /nfs/dbraw/zinc/60/39/90/668603990.db2.gz SJFXULXFSBJXQI-KRWDZBQOSA-N 1 0 306.406 0.889 20 10 DCCDRO C[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000775833582 668868560 /nfs/dbraw/zinc/86/85/60/668868560.db2.gz DZCKBPPAFYAAFX-LBPRGKRZSA-N 1 0 304.394 0.362 20 10 DCCDRO CCNC(=O)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853787 669399295 /nfs/dbraw/zinc/39/92/95/669399295.db2.gz KOOCNINRUUIQSP-UHFFFAOYSA-N 1 0 318.421 0.581 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1 ZINC000802655268 670203598 /nfs/dbraw/zinc/20/35/98/670203598.db2.gz XRPLOMDWICXVSU-UHFFFAOYSA-N 1 0 300.380 0.571 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000850360278 670910127 /nfs/dbraw/zinc/91/01/27/670910127.db2.gz CLZSWEXDXNSFIG-OCCSQVGLSA-N 1 0 315.391 0.693 20 10 DCCDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817989583 670959233 /nfs/dbraw/zinc/95/92/33/670959233.db2.gz OXSTVPMSAQJSTI-CYBMUJFWSA-N 1 0 318.421 0.531 20 10 DCCDRO [NH3+]C/C=C\CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851665778 671007777 /nfs/dbraw/zinc/00/77/77/671007777.db2.gz DCWCYJOXTPTEAR-UPHRSURJSA-N 1 0 318.421 0.962 20 10 DCCDRO COc1ccc(N2CC[C@H](Nc3nc(N)[nH+]c(N)n3)C2)cc1 ZINC000858620359 671023117 /nfs/dbraw/zinc/02/31/17/671023117.db2.gz CJCKWYREZGVFMF-VIFPVBQESA-N 1 0 301.354 0.735 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000851903325 671053859 /nfs/dbraw/zinc/05/38/59/671053859.db2.gz XTHDZZNSZLILLS-DUFXMDAXSA-N 1 0 315.391 0.863 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000852843675 671171847 /nfs/dbraw/zinc/17/18/47/671171847.db2.gz DTHWIKMBVIWXTL-IUODEOHRSA-N 1 0 305.378 0.379 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000852843872 671172522 /nfs/dbraw/zinc/17/25/22/671172522.db2.gz IVLDBPFHIDZRRC-CJNGLKHVSA-N 1 0 319.405 0.769 20 10 DCCDRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764620 671588586 /nfs/dbraw/zinc/58/85/86/671588586.db2.gz QJRZPCZNSGRMDO-AWEZNQCLSA-N 1 0 307.394 0.958 20 10 DCCDRO Cc1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(O)c1O ZINC000834565335 671771499 /nfs/dbraw/zinc/77/14/99/671771499.db2.gz SZKLDWPDXVIHHD-MRXNPFEDSA-N 1 0 308.378 0.935 20 10 DCCDRO Fc1cc(C[NH2+]C[C@@H]2CNCCO2)ccc1N1CCOCC1 ZINC000841099409 671912413 /nfs/dbraw/zinc/91/24/13/671912413.db2.gz PDATXDCUHFNWPW-AWEZNQCLSA-N 1 0 309.385 0.740 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000842036836 671978254 /nfs/dbraw/zinc/97/82/54/671978254.db2.gz RFERYEYXOKLIGH-HIFRSBDPSA-N 1 0 316.405 0.189 20 10 DCCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842148374 671986033 /nfs/dbraw/zinc/98/60/33/671986033.db2.gz MZCPKCYCWXBYLH-JTQLQIEISA-N 1 0 310.373 0.361 20 10 DCCDRO C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000842204014 671994220 /nfs/dbraw/zinc/99/42/20/671994220.db2.gz ZVLRAOUYYOAVNC-NHYWBVRUSA-N 1 0 318.421 0.783 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000842208548 671994775 /nfs/dbraw/zinc/99/47/75/671994775.db2.gz WZNAXOAJVYWRLX-LBPRGKRZSA-N 1 0 306.410 0.612 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000842231018 671998093 /nfs/dbraw/zinc/99/80/93/671998093.db2.gz CQHCUZZYHSOIRS-AWEZNQCLSA-N 1 0 318.421 0.579 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC[NH2+]C)cc1 ZINC000842231233 671998258 /nfs/dbraw/zinc/99/82/58/671998258.db2.gz GUSXFOIYBNMIAT-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)CO)CC2)cc1 ZINC000843059387 672057136 /nfs/dbraw/zinc/05/71/36/672057136.db2.gz HMRBAFUHFHQZSY-GDBMZVCRSA-N 1 0 323.437 0.149 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1O ZINC000846136639 672296767 /nfs/dbraw/zinc/29/67/67/672296767.db2.gz MMLQMQQZLPSBFW-SNVBAGLBSA-N 1 0 302.396 0.991 20 10 DCCDRO CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000958734276 687887245 /nfs/dbraw/zinc/88/72/45/687887245.db2.gz YZALBBORKMORRW-YPMHNXCESA-N 1 0 319.365 0.891 20 10 DCCDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007784214 690749023 /nfs/dbraw/zinc/74/90/23/690749023.db2.gz AMGQFLBRUMNHOG-ZDUSSCGKSA-N 1 0 323.393 0.939 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)O)C2)cc(OC)n1 ZINC001007792844 690750451 /nfs/dbraw/zinc/75/04/51/690750451.db2.gz QGCWXBXHJLTHCQ-WCQYABFASA-N 1 0 323.393 0.674 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001576051831 1164224607 /nfs/dbraw/zinc/22/46/07/1164224607.db2.gz DXQNMGICWXGCAW-MEDUHNTESA-N 1 0 308.378 0.901 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC)CO)cc2=O ZINC001654809963 1173812374 /nfs/dbraw/zinc/81/23/74/1173812374.db2.gz KAIMSPMSJIWECG-SECBINFHSA-N 1 0 308.338 0.472 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCO2)cc1C ZINC001715576322 1181865293 /nfs/dbraw/zinc/86/52/93/1181865293.db2.gz PZNHLVXEHVZGPK-GOEBONIOSA-N 1 0 322.405 0.749 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cn2ncnn2)cc1C ZINC001731591845 1185402941 /nfs/dbraw/zinc/40/29/41/1185402941.db2.gz JIVKBXHIUYMFGG-GFCCVEGCSA-N 1 0 318.381 0.285 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCNC2=O)cc1C ZINC001129304017 755220812 /nfs/dbraw/zinc/22/08/12/755220812.db2.gz NBYISWLYLPLYQU-AWEZNQCLSA-N 1 0 319.405 0.736 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)cc1 ZINC001086281675 759947717 /nfs/dbraw/zinc/94/77/17/759947717.db2.gz BHTYXTXHXORWHP-GSJFWJNXSA-N 1 0 319.365 0.939 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC(=O)N2C)cc1C ZINC001132763851 764639161 /nfs/dbraw/zinc/63/91/61/764639161.db2.gz CDMCXYJIKIEGMX-CQSZACIVSA-N 1 0 319.405 0.830 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001118060016 766212354 /nfs/dbraw/zinc/21/23/54/766212354.db2.gz VWOAOLWSBXCBCR-KGLIPLIRSA-N 1 0 317.389 0.704 20 10 DCCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC001119766796 766805293 /nfs/dbraw/zinc/80/52/93/766805293.db2.gz FPSILTFHFZRPGJ-WBVHZDCISA-N 1 0 306.406 0.698 20 10 DCCDRO CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C)ccc1O ZINC001140620876 768537005 /nfs/dbraw/zinc/53/70/05/768537005.db2.gz CYJMDBITZKHAMN-ZDUSSCGKSA-N 1 0 306.362 0.954 20 10 DCCDRO O=C1COC2(CCN(Cc3cc(O)c(O)c(O)c3)CC2)CN1 ZINC001233016725 769343733 /nfs/dbraw/zinc/34/37/33/769343733.db2.gz MEGPXWRYRPZZER-UHFFFAOYSA-N 1 0 308.334 0.284 20 10 DCCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](O)CO)cc1Br ZINC001233137682 769349623 /nfs/dbraw/zinc/34/96/23/769349623.db2.gz QJDFDSDPRCQDQP-SECBINFHSA-N 1 0 320.183 0.948 20 10 DCCDRO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233485705 769371221 /nfs/dbraw/zinc/37/12/21/769371221.db2.gz HTAUISVAZZUOTB-UHFFFAOYSA-N 1 0 305.290 0.563 20 10 DCCDRO COc1cc(N(C)C)ccc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235066016 769756574 /nfs/dbraw/zinc/75/65/74/769756574.db2.gz ZXWDDQNKOHQEME-QGZVFWFLSA-N 1 0 304.438 0.899 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(O)cc(OC)cc1OC ZINC001236199773 769982914 /nfs/dbraw/zinc/98/29/14/769982914.db2.gz QJDNSMSOFRKTOY-SKDRFNHKSA-N 1 0 310.350 0.484 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC(=O)N2)cc1C ZINC001155753465 770609870 /nfs/dbraw/zinc/60/98/70/770609870.db2.gz RZMYZOWYUUBCPY-CQSZACIVSA-N 1 0 319.405 0.878 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001181808086 771353525 /nfs/dbraw/zinc/35/35/25/771353525.db2.gz MKBAJYUGDNANQH-CYBMUJFWSA-N 1 0 301.364 0.040 20 10 DCCDRO O=C(CNc1cc(C2C[NH2+]C2)ncn1)c1ccc(O)c(O)c1 ZINC001159280401 771890161 /nfs/dbraw/zinc/89/01/61/771890161.db2.gz PBHMPTYTNIKLKA-UHFFFAOYSA-N 1 0 300.318 0.869 20 10 DCCDRO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204276270 772943676 /nfs/dbraw/zinc/94/36/76/772943676.db2.gz ITXXUXSMGGZSDN-CABZTGNLSA-N 1 0 307.268 0.958 20 10 DCCDRO COC(=O)[C@H]1CN(C)CCN1C(=O)c1cc(O)c(O)c(OC)c1 ZINC001193098536 773005208 /nfs/dbraw/zinc/00/52/08/773005208.db2.gz UNSMFXFCSLHAGU-SNVBAGLBSA-N 1 0 324.333 0.036 20 10 DCCDRO COc1cc(O)c(C[NH2+]CCN2CCC(O)CC2)cc1OC ZINC001205840220 773024655 /nfs/dbraw/zinc/02/46/55/773024655.db2.gz KDPOXZFAJVWJIO-UHFFFAOYSA-N 1 0 310.394 0.956 20 10 DCCDRO Cc1cc(C)c(CNC(=O)[C@H]([NH3+])CCCNC(N)=O)c(O)c1 ZINC001220825622 774926412 /nfs/dbraw/zinc/92/64/12/774926412.db2.gz ORHXDLIFWUFROQ-GFCCVEGCSA-N 1 0 308.382 0.401 20 10 DCCDRO C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCO ZINC001267156083 939361617 /nfs/dbraw/zinc/36/16/17/939361617.db2.gz OEFXYWAVQDVGFI-JTQLQIEISA-N 1 0 307.354 0.939 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001270070276 940829107 /nfs/dbraw/zinc/82/91/07/940829107.db2.gz WYIRQRDAEYHLJS-TXEJJXNPSA-N 1 0 321.377 0.264 20 10 DCCDRO C[C@H](CC[NH2+]CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482904577 941706593 /nfs/dbraw/zinc/70/65/93/941706593.db2.gz YEHIOOCLYYQWTF-SNVBAGLBSA-N 1 0 307.354 0.939 20 10 DCCDRO O=C(NCC1COC1)C12CC([NH2+]Cc3ccc(O)cc3O)(C1)C2 ZINC001277191675 944698473 /nfs/dbraw/zinc/69/84/73/944698473.db2.gz FOSKOKTWJKRPQV-UHFFFAOYSA-N 1 0 318.373 0.873 20 10 DCCDRO O=C(Nc1nnco1)[C@@H]1CC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277656692 944930828 /nfs/dbraw/zinc/93/08/28/944930828.db2.gz HNJNRQUZEDOYNK-NSHDSACASA-N 1 0 316.317 0.941 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC001325716250 947891182 /nfs/dbraw/zinc/89/11/82/947891182.db2.gz GXBXRVPZSJPCLZ-UHFFFAOYSA-N 1 0 307.394 0.794 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC001327545005 948545314 /nfs/dbraw/zinc/54/53/14/948545314.db2.gz LVIIIZDFVLIKPR-UHFFFAOYSA-N 1 0 305.378 0.609 20 10 DCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCCCSc1nccs1 ZINC001331319031 951074623 /nfs/dbraw/zinc/07/46/23/951074623.db2.gz KTIATQSWJVWCKP-VIFPVBQESA-N 1 0 316.452 0.595 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCNC(N)=O)cc1C ZINC001275012376 951929278 /nfs/dbraw/zinc/92/92/78/951929278.db2.gz BGHUOEZUNUTHPM-GFCCVEGCSA-N 1 0 322.409 0.656 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2Cc1ccc(O)cc1O ZINC001275952787 952556239 /nfs/dbraw/zinc/55/62/39/952556239.db2.gz NPEZPGZLZSBBLT-GASCZTMLSA-N 1 0 321.421 0.544 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CNOC2)[NH+](C)C)cc1 ZINC001336207417 952661151 /nfs/dbraw/zinc/66/11/51/952661151.db2.gz LFAKATJYUHFOJU-ZFWWWQNUSA-N 1 0 321.425 0.558 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](O)c2cnn(C)c2)cc1 ZINC001341242994 953218631 /nfs/dbraw/zinc/21/86/31/953218631.db2.gz GIRIEBFVUWVOSZ-CABCVRRESA-N 1 0 317.393 0.336 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNCC[NH3+] ZINC001341629956 953241528 /nfs/dbraw/zinc/24/15/28/953241528.db2.gz NLMRXMMIMQPEAD-UHFFFAOYSA-N 1 0 306.410 0.030 20 10 DCCDRO O=C(C[NH+]1CCC(CO)CC1)NCCc1ccc(O)c(O)c1 ZINC001346922599 953982660 /nfs/dbraw/zinc/98/26/60/953982660.db2.gz REZDAGSPWNYOIZ-UHFFFAOYSA-N 1 0 308.378 0.461 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCO2)cc1C ZINC001283733183 954561568 /nfs/dbraw/zinc/56/15/68/954561568.db2.gz KQOQDAIPLABJEP-ZBFHGGJFSA-N 1 0 322.405 0.749 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC001353145889 955944759 /nfs/dbraw/zinc/94/47/59/955944759.db2.gz GXBPVPDSFCUNKQ-KRWDZBQOSA-N 1 0 320.412 0.756 20 10 DCCDRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)c1ccccc1O ZINC001357993279 957413413 /nfs/dbraw/zinc/41/34/13/957413413.db2.gz OGZWGTMZEMALHQ-PGUXBMHVSA-N 1 0 324.402 0.204 20 10 DCCDRO Cc1cc(C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)ccc1N(C)C ZINC001308111281 960166789 /nfs/dbraw/zinc/16/67/89/960166789.db2.gz VDMPIXMCSNVVTQ-SFHVURJKSA-N 1 0 319.449 0.940 20 10 DCCDRO O=C1NC(=O)[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(F)ccc2O)N1 ZINC001308752200 960183442 /nfs/dbraw/zinc/18/34/42/960183442.db2.gz YXWLMGSMVQEKKK-BONVTDFDSA-N 1 0 307.325 0.999 20 10 DCCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)CS(C)(=O)=O ZINC001474285012 1017011451 /nfs/dbraw/zinc/01/14/51/1017011451.db2.gz OIPHMOGBVZRQIZ-LBPRGKRZSA-N 1 0 310.419 0.982 20 10 DCCDRO C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001544139607 1012535339 /nfs/dbraw/zinc/53/53/39/1012535339.db2.gz SMZSYZBQRLQSIM-YPMHNXCESA-N 1 0 307.394 0.391 20 10 DCCDRO COc1ccc(O)c(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)c1 ZINC001548670227 1012931054 /nfs/dbraw/zinc/93/10/54/1012931054.db2.gz ASHJCZMIBSLMPS-BXUZGUMPSA-N 1 0 305.378 0.405 20 10 DCCDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cccc(O)c3O)C2)CC1 ZINC000377048482 530049917 /nfs/dbraw/zinc/04/99/17/530049917.db2.gz SJZVWKDUMPQFKA-LBPRGKRZSA-N 1 0 319.405 0.996 20 10 DCCDRO COc1ccc(N2CCC[N@H+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000053774167 395889167 /nfs/dbraw/zinc/88/91/67/395889167.db2.gz FLMXGFAIPOQKDO-UHFFFAOYSA-N 1 0 320.393 0.792 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277019079 396044323 /nfs/dbraw/zinc/04/43/23/396044323.db2.gz MPNAZTUNUJCRHS-UHFFFAOYSA-N 1 0 313.423 0.544 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C[NH+](C)C)cc2)CC1 ZINC000276282988 415463678 /nfs/dbraw/zinc/46/36/78/415463678.db2.gz SCMLKIOFQKQSFF-UHFFFAOYSA-N 1 0 318.421 0.533 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000230994538 416328071 /nfs/dbraw/zinc/32/80/71/416328071.db2.gz MVGCTXXJAXWWER-JTQLQIEISA-N 1 0 302.396 0.943 20 10 DCCDRO COCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272441858 334034636 /nfs/dbraw/zinc/03/46/36/334034636.db2.gz MNZUXPZNLDZLHY-LQPUYASZSA-N 1 0 306.362 0.948 20 10 DCCDRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419704849 337491483 /nfs/dbraw/zinc/49/14/83/337491483.db2.gz HKGPDARDVLZEJY-NSHDSACASA-N 1 0 316.405 0.827 20 10 DCCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC000238034101 527612290 /nfs/dbraw/zinc/61/22/90/527612290.db2.gz JAOVZYHCLUASJG-ZZXKWVIFSA-N 1 0 301.390 0.968 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H](C)C[NH3+])CC2)cc1 ZINC000285984668 536698046 /nfs/dbraw/zinc/69/80/46/536698046.db2.gz HXWVPULXRGBQAH-AWEZNQCLSA-N 1 0 320.437 0.528 20 10 DCCDRO CC(=O)N[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891258550 658098016 /nfs/dbraw/zinc/09/80/16/658098016.db2.gz TYQJHGULOIRGGR-WBMJQRKESA-N 1 0 320.437 0.996 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([NH2+]CCO)C2)cc1 ZINC001019854026 659624923 /nfs/dbraw/zinc/62/49/23/659624923.db2.gz KEGVHEBNRWCDEG-LBPRGKRZSA-N 1 0 305.338 0.645 20 10 DCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000896034425 662236974 /nfs/dbraw/zinc/23/69/74/662236974.db2.gz BFZZQDGGZCFNHB-HNNXBMFYSA-N 1 0 311.334 0.519 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)NC(CO)CO)[NH+](C)C)cc1 ZINC000899102782 663123621 /nfs/dbraw/zinc/12/36/21/663123621.db2.gz RUMZICYJNDCZMR-HNNXBMFYSA-N 1 0 324.425 0.008 20 10 DCCDRO C[NH+](C)CCn1nccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000901133341 663324148 /nfs/dbraw/zinc/32/41/48/663324148.db2.gz WKRWSECKKAYDBX-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO Oc1cc2c(cc1CN1CCO[C@@H]3COCC[C@@H]31)[C@@H](O)CO2 ZINC000902626992 663423428 /nfs/dbraw/zinc/42/34/28/663423428.db2.gz QKDBXFJPQANQRS-DUVNUKRYSA-N 1 0 307.346 0.808 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000911225226 664011068 /nfs/dbraw/zinc/01/10/68/664011068.db2.gz DCRJXECKZRGINJ-OBJOEFQTSA-N 1 0 318.421 0.783 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1O ZINC000154114843 665080803 /nfs/dbraw/zinc/08/08/03/665080803.db2.gz QSEJDTGGACBUDE-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(O)c1O ZINC000861716182 666964793 /nfs/dbraw/zinc/96/47/93/666964793.db2.gz SUTNECXVVOGMAT-VXGBXAGGSA-N 1 0 306.362 0.687 20 10 DCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861751207 666972418 /nfs/dbraw/zinc/97/24/18/666972418.db2.gz ZZSDNPOJDRHQOR-JTQLQIEISA-N 1 0 310.373 0.314 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000861767789 666976429 /nfs/dbraw/zinc/97/64/29/666976429.db2.gz QSYSMCBXFAINAG-NWDGAFQWSA-N 1 0 306.410 0.735 20 10 DCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863751111 667174842 /nfs/dbraw/zinc/17/48/42/667174842.db2.gz FSBJRDQXHZAZFM-GFCCVEGCSA-N 1 0 306.410 0.517 20 10 DCCDRO O[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865750028 667344120 /nfs/dbraw/zinc/34/41/20/667344120.db2.gz KSOXLRQOGLHECO-GDBMZVCRSA-N 1 0 310.369 0.902 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000923479790 667543531 /nfs/dbraw/zinc/54/35/31/667543531.db2.gz XHSNPIVDDXMIMU-QGZVFWFLSA-N 1 0 320.437 0.154 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884531294 667562177 /nfs/dbraw/zinc/56/21/77/667562177.db2.gz IMMQZPAAKVESPM-ZFWWWQNUSA-N 1 0 316.405 0.250 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1Cn1cccn1 ZINC000886249506 667746202 /nfs/dbraw/zinc/74/62/02/667746202.db2.gz MFOSAZLFSQSUBL-PHZGNYQRSA-N 1 0 317.389 0.914 20 10 DCCDRO O=C1NCCN1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000886324388 667756577 /nfs/dbraw/zinc/75/65/77/667756577.db2.gz NLNPTGVUJCOYJL-UHFFFAOYSA-N 1 0 304.394 0.638 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154413 667869922 /nfs/dbraw/zinc/86/99/22/667869922.db2.gz ZHGOTYXNGMQCCA-MAUKXSAKSA-N 1 0 316.449 0.910 20 10 DCCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000749125460 667946874 /nfs/dbraw/zinc/94/68/74/667946874.db2.gz GTCBHOHWBHUMGX-GXTWGEPZSA-N 1 0 318.421 0.742 20 10 DCCDRO C[C@H](O)CN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665899 667981876 /nfs/dbraw/zinc/98/18/76/667981876.db2.gz ALPCDZGJYHXFCK-AWEZNQCLSA-N 1 0 320.437 0.961 20 10 DCCDRO Fc1cc(CN[C@@H]2C[NH2+]CCOC2)ccc1N1CCOCC1 ZINC000925482821 668324562 /nfs/dbraw/zinc/32/45/62/668324562.db2.gz XYSYDFRNHWZUOF-CQSZACIVSA-N 1 0 309.385 0.740 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1F ZINC000763026274 668392014 /nfs/dbraw/zinc/39/20/14/668392014.db2.gz PHAPXHWRPJHUBK-MRXNPFEDSA-N 1 0 324.400 0.758 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)CCNC2=O)cc1 ZINC000876505939 668457428 /nfs/dbraw/zinc/45/74/28/668457428.db2.gz CXFBPOMEPUTPHZ-CJNGLKHVSA-N 1 0 304.394 0.395 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)CN3CC[NH2+]CC3)C2)cc1 ZINC000876960377 668542996 /nfs/dbraw/zinc/54/29/96/668542996.db2.gz XLZUAWZYIBFZHQ-CQSZACIVSA-N 1 0 318.421 0.295 20 10 DCCDRO COC(=O)CNC(=O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000877706107 668639797 /nfs/dbraw/zinc/63/97/97/668639797.db2.gz HMPQAMGAAPJJBW-PLNGDYQASA-N 1 0 305.378 0.645 20 10 DCCDRO C[C@H]([NH2+]CCn1cnnn1)c1ccc(N2CCOCC2)cc1 ZINC000878357557 668717090 /nfs/dbraw/zinc/71/70/90/668717090.db2.gz CRHPAIBCOOHAEG-ZDUSSCGKSA-N 1 0 302.382 0.861 20 10 DCCDRO COC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775048714 668854958 /nfs/dbraw/zinc/85/49/58/668854958.db2.gz PXQJMAQFGSFIHI-ZDUSSCGKSA-N 1 0 300.311 0.796 20 10 DCCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](n3cncn3)C1)[C@@H](O)CO2 ZINC000776777858 668881327 /nfs/dbraw/zinc/88/13/27/668881327.db2.gz RQSKMQLHUHMZIZ-RISCZKNCSA-N 1 0 302.334 0.857 20 10 DCCDRO C[C@H]([NH3+])c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094681 669296958 /nfs/dbraw/zinc/29/69/58/669296958.db2.gz PMCIASIDQXCWGJ-NSHDSACASA-N 1 0 302.382 0.680 20 10 DCCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000788376609 669435295 /nfs/dbraw/zinc/43/52/95/669435295.db2.gz ABQRLRBKPLICEW-MLGOLLRUSA-N 1 0 322.405 0.971 20 10 DCCDRO CCOCCOC[C@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000791006206 669586828 /nfs/dbraw/zinc/58/68/28/669586828.db2.gz DEIFLVJXWRUCRP-GFCCVEGCSA-N 1 0 313.350 0.625 20 10 DCCDRO [NH3+]C[C@@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F ZINC000848597563 670701378 /nfs/dbraw/zinc/70/13/78/670701378.db2.gz PTJORLAPYDJMLW-SNVBAGLBSA-N 1 0 307.272 0.829 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000817948542 670955667 /nfs/dbraw/zinc/95/56/67/670955667.db2.gz BGAWEOJXHMCTKE-ZDUSSCGKSA-N 1 0 305.378 0.690 20 10 DCCDRO CN(C)c1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1F ZINC000851627675 671000933 /nfs/dbraw/zinc/00/09/33/671000933.db2.gz SZTGGZPRJKEAEN-UHFFFAOYSA-N 1 0 306.345 0.372 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000851691804 671016471 /nfs/dbraw/zinc/01/64/71/671016471.db2.gz LQXQRECYCYVPRM-LBPRGKRZSA-N 1 0 306.410 0.435 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000851903327 671053507 /nfs/dbraw/zinc/05/35/07/671053507.db2.gz XTHDZZNSZLILLS-LJWDBELGSA-N 1 0 315.391 0.863 20 10 DCCDRO O[C@@H](C[NH2+]CCCSc1nccs1)CN1CCOCC1 ZINC000819062738 671090698 /nfs/dbraw/zinc/09/06/98/671090698.db2.gz IXTSZECSIBLLBS-LBPRGKRZSA-N 1 0 317.480 0.908 20 10 DCCDRO C[C@H](NC(=O)C1(O)C[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000852862682 671178173 /nfs/dbraw/zinc/17/81/73/671178173.db2.gz IWNBOJYOHCHARD-LBPRGKRZSA-N 1 0 305.378 0.035 20 10 DCCDRO COc1cc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000822520890 671327834 /nfs/dbraw/zinc/32/78/34/671327834.db2.gz RDHNJHRVIRAUSB-JTQLQIEISA-N 1 0 308.334 0.646 20 10 DCCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC(=O)N1 ZINC000824908946 671443449 /nfs/dbraw/zinc/44/34/49/671443449.db2.gz FZMWCXJMBGJLSP-CQSZACIVSA-N 1 0 302.422 0.759 20 10 DCCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000827365364 671524983 /nfs/dbraw/zinc/52/49/83/671524983.db2.gz QCUQMPOSATUQEG-GXTWGEPZSA-N 1 0 307.369 0.750 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](O)[C@H]1C)cc2=O ZINC000832219209 671711179 /nfs/dbraw/zinc/71/11/79/671711179.db2.gz APGNWTCZNPBXGQ-BXKDBHETSA-N 1 0 320.349 0.567 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000832281096 671713058 /nfs/dbraw/zinc/71/30/58/671713058.db2.gz SFTRACCAOCYKIL-NSHDSACASA-N 1 0 318.337 0.814 20 10 DCCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)n1cncn1 ZINC000832280188 671713300 /nfs/dbraw/zinc/71/33/00/671713300.db2.gz NTUYMXCPHLRXJZ-RISCZKNCSA-N 1 0 302.382 0.721 20 10 DCCDRO CN(C)C(=O)C1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832284060 671713537 /nfs/dbraw/zinc/71/35/37/671713537.db2.gz HELHEIFNIRRWCY-CQSZACIVSA-N 1 0 318.421 0.737 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H](C)N1CCO ZINC000841137393 671914411 /nfs/dbraw/zinc/91/44/11/671914411.db2.gz IETRSJTYLQDVNI-TXEJJXNPSA-N 1 0 320.393 0.121 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000842069958 671980685 /nfs/dbraw/zinc/98/06/85/671980685.db2.gz IMYBSDJKABMBLZ-GFCCVEGCSA-N 1 0 318.421 0.196 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842073444 671980867 /nfs/dbraw/zinc/98/08/67/671980867.db2.gz UQJLBVHNXIBIOQ-OLZOCXBDSA-N 1 0 320.437 0.572 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[NH2+]CC3)ccc21 ZINC000842150400 671986235 /nfs/dbraw/zinc/98/62/35/671986235.db2.gz RHIIIJODQVIVPJ-UHFFFAOYSA-N 1 0 316.405 0.117 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842203480 671993855 /nfs/dbraw/zinc/99/38/55/671993855.db2.gz SAHONMXEEGPAAK-VXGBXAGGSA-N 1 0 306.410 0.735 20 10 DCCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203325 671994199 /nfs/dbraw/zinc/99/41/99/671994199.db2.gz QZIOJEJYVMNPGV-TZMCWYRMSA-N 1 0 318.421 0.750 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842214960 671995987 /nfs/dbraw/zinc/99/59/87/671995987.db2.gz UYHZFRSEEBGXAH-UHFFFAOYSA-N 1 0 318.421 0.581 20 10 DCCDRO COc1cc(O)c(CN(C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000843044558 672055953 /nfs/dbraw/zinc/05/59/53/672055953.db2.gz IZIWXWXMZGFLAX-UHFFFAOYSA-N 1 0 323.393 0.273 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000846696894 672338645 /nfs/dbraw/zinc/33/86/45/672338645.db2.gz JITFJPLIWZDCPI-AWEZNQCLSA-N 1 0 321.421 0.968 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)OC)C2)cc(OC)n1 ZINC001015105915 692193392 /nfs/dbraw/zinc/19/33/92/692193392.db2.gz ZFWMZDDXKHWNBQ-WCQYABFASA-N 1 0 323.393 0.938 20 10 DCCDRO CO[C@H]1C[NH2+]C[C@H]1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC001573966643 1163610581 /nfs/dbraw/zinc/61/05/81/1163610581.db2.gz LNNJRDOJJUASFH-UONOGXRCSA-N 1 0 313.423 0.159 20 10 DCCDRO C[NH2+]C[C@H](O)CN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001578652362 1165081364 /nfs/dbraw/zinc/08/13/64/1165081364.db2.gz IQOMYULKMKGUBZ-PZBABLGHSA-N 1 0 323.349 0.798 20 10 DCCDRO COc1cc(O)c(C[NH2+]CCN2CCNC2=S)cc1OC ZINC001621576497 1171412321 /nfs/dbraw/zinc/41/23/21/1171412321.db2.gz RIGKALSLSVWSMF-UHFFFAOYSA-N 1 0 311.407 0.689 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2nnn(C)n2)cc1C ZINC001699418088 1178127480 /nfs/dbraw/zinc/12/74/80/1178127480.db2.gz JDBGJZJAZVXYER-NSHDSACASA-N 1 0 318.381 0.435 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1C ZINC001055024731 756713242 /nfs/dbraw/zinc/71/32/42/756713242.db2.gz ALHJZMCBZMIOME-YPMHNXCESA-N 1 0 305.378 0.425 20 10 DCCDRO COC(=O)c1cc(N(C)C(C)(C)C[NH3+])cc2c1OCC(=O)N2 ZINC001170059110 761718638 /nfs/dbraw/zinc/71/86/38/761718638.db2.gz LWQFYENLXZCCPU-UHFFFAOYSA-N 1 0 307.350 0.978 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1C ZINC001132362653 764418948 /nfs/dbraw/zinc/41/89/48/764418948.db2.gz JWWNQGQVZQIINZ-KBPBESRZSA-N 1 0 319.405 0.721 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C(=O)NCC2CC2)cc1C ZINC001135906606 766163046 /nfs/dbraw/zinc/16/30/46/766163046.db2.gz AIVFSDCBTYDGBZ-UHFFFAOYSA-N 1 0 319.405 0.736 20 10 DCCDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001117980414 766184729 /nfs/dbraw/zinc/18/47/29/766184729.db2.gz HHPFBUYUNPUDIZ-ZDUSSCGKSA-N 1 0 320.437 0.825 20 10 DCCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 ZINC001144849891 767065850 /nfs/dbraw/zinc/06/58/50/767065850.db2.gz IOXQORIJTFKSKJ-UWVGGRQHSA-N 1 0 313.448 0.399 20 10 DCCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H]21 ZINC001144849890 767066013 /nfs/dbraw/zinc/06/60/13/767066013.db2.gz IOXQORIJTFKSKJ-NXEZZACHSA-N 1 0 313.448 0.399 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C[NH3+])CC2)c(OC)c1 ZINC001122110314 767717014 /nfs/dbraw/zinc/71/70/14/767717014.db2.gz STUKKCZXQCYEFN-TZMCWYRMSA-N 1 0 319.405 0.947 20 10 DCCDRO COc1cc(CN2CC(=O)N[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253051 768463159 /nfs/dbraw/zinc/46/31/59/768463159.db2.gz JYVRUCDHYZDRCO-LLVKDONJSA-N 1 0 307.394 0.783 20 10 DCCDRO COC(=O)Cc1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234995590 769738322 /nfs/dbraw/zinc/73/83/22/769738322.db2.gz XERVVUFMLYNLON-QGZVFWFLSA-N 1 0 319.405 0.245 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1c(O)cc(OC)cc1OC ZINC001236055719 769975506 /nfs/dbraw/zinc/97/55/06/769975506.db2.gz ZGLKKLFKBHVOGE-LBPRGKRZSA-N 1 0 310.350 0.356 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](CO)C3)c(F)c2)CC1 ZINC001236930904 770024924 /nfs/dbraw/zinc/02/49/24/770024924.db2.gz GWZYFLFLWIHSER-INIZCTEOSA-N 1 0 323.412 0.771 20 10 DCCDRO COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c(OC)c1 ZINC001237671939 770073226 /nfs/dbraw/zinc/07/32/26/770073226.db2.gz CUKOXFQYDUGXQD-HIFRSBDPSA-N 1 0 308.378 0.924 20 10 DCCDRO Cn1c(=O)cnc2ccc(-c3cnc(N4CC[NH2+]CC4)nc3)cc21 ZINC001241898082 770274547 /nfs/dbraw/zinc/27/45/47/770274547.db2.gz WYQRZSMGMBDHAU-UHFFFAOYSA-N 1 0 322.372 0.800 20 10 DCCDRO [NH3+][C@H]1CCCCN(CC(=O)N2CCc3cccc(O)c3C2)C1=O ZINC001160872418 772130423 /nfs/dbraw/zinc/13/04/23/772130423.db2.gz MGZFOZRCZUKHIJ-AWEZNQCLSA-N 1 0 317.389 0.617 20 10 DCCDRO CCOC(=O)[C@H]1NC(=O)c2cc(N3CC[C@H]([NH3+])C3)ccc2O1 ZINC001164281700 772636239 /nfs/dbraw/zinc/63/62/39/772636239.db2.gz KTQBMKRQVGAXGR-XPTSAGLGSA-N 1 0 305.334 0.235 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CNC(=O)N2)cc1C ZINC001165475929 772741512 /nfs/dbraw/zinc/74/15/12/772741512.db2.gz UYBNSWSSVDYMAW-ZDUSSCGKSA-N 1 0 320.393 0.281 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCN(c3ncncn3)CC2)c1 ZINC001203681009 772919213 /nfs/dbraw/zinc/91/92/13/772919213.db2.gz KINBIHKXBGVVIZ-UHFFFAOYSA-N 1 0 301.350 0.908 20 10 DCCDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2O)O1 ZINC001204272643 772943696 /nfs/dbraw/zinc/94/36/96/772943696.db2.gz FHUUHDONORVWMI-YUELXQCFSA-N 1 0 306.362 0.918 20 10 DCCDRO COc1cc(O)c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1OC ZINC001222510891 775371960 /nfs/dbraw/zinc/37/19/60/775371960.db2.gz JGVJJPIUPJCUAT-KBPBESRZSA-N 1 0 321.421 0.935 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001277420732 944811511 /nfs/dbraw/zinc/81/15/11/944811511.db2.gz GPWVHUMIFKKYAV-GASCZTMLSA-N 1 0 320.389 0.623 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCOC[C@@H]3C(N)=O)c1 ZINC001277462897 944827076 /nfs/dbraw/zinc/82/70/76/944827076.db2.gz DKQBAPQBAQZZOP-CYBMUJFWSA-N 1 0 306.362 0.725 20 10 DCCDRO C[C@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C[NH2+]1 ZINC001329116669 949369654 /nfs/dbraw/zinc/36/96/54/949369654.db2.gz ULUMPWCLWZKASD-AAEUAGOBSA-N 1 0 305.378 0.607 20 10 DCCDRO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001331568090 951175361 /nfs/dbraw/zinc/17/53/61/951175361.db2.gz FJDGNVIMBMNLMQ-OAHLLOKOSA-N 1 0 318.421 0.579 20 10 DCCDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332116240 951485346 /nfs/dbraw/zinc/48/53/46/951485346.db2.gz MEDMXHCOIQLCQN-GFCCVEGCSA-N 1 0 303.362 0.445 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCC[NH2+]C1 ZINC001332302081 951572945 /nfs/dbraw/zinc/57/29/45/951572945.db2.gz KXKBHUYVEIPTKJ-VXGBXAGGSA-N 1 0 317.389 0.739 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)c2cnn(C)c2)c(O)c1OC ZINC001333740728 952143282 /nfs/dbraw/zinc/14/32/82/952143282.db2.gz OIBHXJOQLCWOMB-LBPRGKRZSA-N 1 0 307.350 0.966 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001336633387 952742456 /nfs/dbraw/zinc/74/24/56/952742456.db2.gz KXCBHGNECPGNOO-YPMHNXCESA-N 1 0 305.378 0.594 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[NH2+]CCN3C)ccc21 ZINC001341678295 953244872 /nfs/dbraw/zinc/24/48/72/953244872.db2.gz WRQCERPZZNHWTR-MRXNPFEDSA-N 1 0 302.422 0.589 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C3(C[NH3+])CC(O)C3)C2)cc1 ZINC001342099074 953269757 /nfs/dbraw/zinc/26/97/57/953269757.db2.gz RJFVBERLOLREOP-RFSCMCKOSA-N 1 0 319.405 0.490 20 10 DCCDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccccn1 ZINC001344081953 953413359 /nfs/dbraw/zinc/41/33/59/953413359.db2.gz QVTQCBZQKIRLRC-KGLIPLIRSA-N 1 0 300.362 0.552 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CNCCO3)cc2F)CC1 ZINC001348515773 954337357 /nfs/dbraw/zinc/33/73/57/954337357.db2.gz PMNJIFMZOPCKTQ-HNNXBMFYSA-N 1 0 322.428 0.656 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CNCCO3)cc2F)CC1 ZINC001348515774 954337764 /nfs/dbraw/zinc/33/77/64/954337764.db2.gz PMNJIFMZOPCKTQ-OAHLLOKOSA-N 1 0 322.428 0.656 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001449076966 1014170155 /nfs/dbraw/zinc/17/01/55/1014170155.db2.gz GZKUKSMSSNTVDE-CHWSQXEVSA-N 1 0 306.362 0.308 20 10 DCCDRO C[NH+](C)CCn1cc(C(=O)NCc2c(O)cccc2O)cn1 ZINC001558536077 1012366097 /nfs/dbraw/zinc/36/60/97/1012366097.db2.gz SBFXUSOMEKTINI-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO C[C@@H](O)C[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001663341998 1174288582 /nfs/dbraw/zinc/28/85/82/1174288582.db2.gz FLYBNBPLWDLETK-SNVBAGLBSA-N 1 0 307.354 0.891 20 10 DCCDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(O)c3O)CC2)C1 ZINC000377050570 530061272 /nfs/dbraw/zinc/06/12/72/530061272.db2.gz ZUSMPSLDADAGCD-ZDUSSCGKSA-N 1 0 319.405 0.950 20 10 DCCDRO C[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272368088 130024724 /nfs/dbraw/zinc/02/47/24/130024724.db2.gz CXOMJUGVZVLZNH-GQCTYLIASA-N 1 0 319.405 0.865 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)CC(N)=O)cc1 ZINC000299430014 132104998 /nfs/dbraw/zinc/10/49/98/132104998.db2.gz VCMCKTDSTSMENR-UHFFFAOYSA-N 1 0 306.410 0.612 20 10 DCCDRO CNC(=O)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386962 395690496 /nfs/dbraw/zinc/69/04/96/395690496.db2.gz DWESKHRBVSLOBS-UHFFFAOYSA-N 1 0 320.393 0.411 20 10 DCCDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)NC(C)C)c1O ZINC000277439508 396068295 /nfs/dbraw/zinc/06/82/95/396068295.db2.gz JFWWDCVEUNDXAX-UHFFFAOYSA-N 1 0 301.412 0.623 20 10 DCCDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)C[NH+]1CCN(C)CC1 ZINC000262662560 396169802 /nfs/dbraw/zinc/16/98/02/396169802.db2.gz ZBLWTZBCRLZZMT-AWEZNQCLSA-N 1 0 304.438 0.811 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[NH3+])cc2F)CC1 ZINC000295218870 396686088 /nfs/dbraw/zinc/68/60/88/396686088.db2.gz QTADTIOAXZDBRS-UHFFFAOYSA-N 1 0 308.401 0.933 20 10 DCCDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292701269 415849679 /nfs/dbraw/zinc/84/96/79/415849679.db2.gz CJCCZLWMXYHTJL-LBPRGKRZSA-N 1 0 302.371 0.997 20 10 DCCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292855305 415851491 /nfs/dbraw/zinc/85/14/91/415851491.db2.gz USKRIGIGJFASHE-LBPRGKRZSA-N 1 0 314.407 0.867 20 10 DCCDRO C[C@@H](O)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)CO ZINC000297947572 415983502 /nfs/dbraw/zinc/98/35/02/415983502.db2.gz ASSSKQRCCQIVHP-ZIAGYGMSSA-N 1 0 323.437 0.432 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264817052 523382499 /nfs/dbraw/zinc/38/24/99/523382499.db2.gz XCNKTNWUWSTMSV-CQSZACIVSA-N 1 0 306.410 0.779 20 10 DCCDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccccc1O ZINC000265611366 527005723 /nfs/dbraw/zinc/00/57/23/527005723.db2.gz NWIZWMGQEQPILX-CYBMUJFWSA-N 1 0 320.393 0.531 20 10 DCCDRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001664739419 1174453784 /nfs/dbraw/zinc/45/37/84/1174453784.db2.gz DYMPVPGMSIAXHJ-LBPRGKRZSA-N 1 0 305.783 0.685 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCO)C2)cc(OC)n1 ZINC000981199418 661099385 /nfs/dbraw/zinc/09/93/85/661099385.db2.gz PWDBSXJSXJCKEI-CHWSQXEVSA-N 1 0 323.393 0.722 20 10 DCCDRO COc1ccc(N2CCN(C(=O)NCCC[NH3+])CC2)c(OC)c1 ZINC000891985595 658070425 /nfs/dbraw/zinc/07/04/25/658070425.db2.gz GNVFAFKWKYIPBJ-UHFFFAOYSA-N 1 0 322.409 0.884 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)C(C)(C)O)[NH+](C)C)cc1 ZINC000891246803 658078531 /nfs/dbraw/zinc/07/85/31/658078531.db2.gz PNBKIEAJRDCYSC-CABCVRRESA-N 1 0 323.437 0.603 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)c2nnc[nH]2)[NH+](C)C)cc1 ZINC000891251876 658088929 /nfs/dbraw/zinc/08/89/29/658088929.db2.gz HUBFEKSHRABDNL-ZDUSSCGKSA-N 1 0 302.382 0.903 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C(N)=O)CC2)[NH+](C)C)cc1 ZINC000891253992 658092399 /nfs/dbraw/zinc/09/23/99/658092399.db2.gz VKHIJCKOEYGVBK-CQSZACIVSA-N 1 0 318.421 0.737 20 10 DCCDRO COc1ccc(C[NH2+]CCC(=O)N2CCOCC2)c(O)c1OC ZINC000892640444 659047554 /nfs/dbraw/zinc/04/75/54/659047554.db2.gz KTZIJAMMLFDSHY-UHFFFAOYSA-N 1 0 324.377 0.748 20 10 DCCDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c1OC ZINC000894800771 662004224 /nfs/dbraw/zinc/00/42/24/662004224.db2.gz RZRGDPBYHHPZFI-RYUDHWBXSA-N 1 0 322.361 0.499 20 10 DCCDRO COC(=O)[C@@](C)(CO)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000894976586 662039972 /nfs/dbraw/zinc/03/99/72/662039972.db2.gz SVKOWDLVHRZCOZ-QGZVFWFLSA-N 1 0 321.421 0.452 20 10 DCCDRO CON(C)C(=O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895041482 662045391 /nfs/dbraw/zinc/04/53/91/662045391.db2.gz XNNCLAGBEXWAPT-UHFFFAOYSA-N 1 0 311.357 0.772 20 10 DCCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC000895314619 662166064 /nfs/dbraw/zinc/16/60/64/662166064.db2.gz NUWHHSFNINDQIW-GASCZTMLSA-N 1 0 318.421 0.551 20 10 DCCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CS(=O)(=O)C1 ZINC000895396745 662180924 /nfs/dbraw/zinc/18/09/24/662180924.db2.gz BRAIJYDQHXVUGR-UHFFFAOYSA-N 1 0 323.462 0.667 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c1 ZINC000898333607 662949527 /nfs/dbraw/zinc/94/95/27/662949527.db2.gz UUHOECXXKPEQFV-UHFFFAOYSA-N 1 0 305.334 0.843 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1O ZINC000903279177 663451796 /nfs/dbraw/zinc/45/17/96/663451796.db2.gz PKNXKXRYTOTSHS-MLGOLLRUSA-N 1 0 310.394 0.745 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1 ZINC000903969423 663499450 /nfs/dbraw/zinc/49/94/50/663499450.db2.gz YFLNNPKZPQQNKS-OAHLLOKOSA-N 1 0 311.451 0.619 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)cc1F ZINC000905077019 663530860 /nfs/dbraw/zinc/53/08/60/663530860.db2.gz UXOYZPMOEKSYPL-XJKSGUPXSA-N 1 0 312.385 0.884 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206335 663743755 /nfs/dbraw/zinc/74/37/55/663743755.db2.gz ZLPLFSFZJRECJY-BPJJOFIESA-N 1 0 306.362 0.684 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000910994752 663967003 /nfs/dbraw/zinc/96/70/03/663967003.db2.gz YWAQTEMXRQWSHR-AWEZNQCLSA-N 1 0 318.421 0.565 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911560663 664079465 /nfs/dbraw/zinc/07/94/65/664079465.db2.gz QNVVBLOSEOVHRC-MQMHXKEQSA-N 1 0 319.405 0.984 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CC(=O)N3)cc2)CC1 ZINC000918845327 665186098 /nfs/dbraw/zinc/18/60/98/665186098.db2.gz KWDDMBUVLMGYCV-CQSZACIVSA-N 1 0 316.405 0.333 20 10 DCCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(OC)CCS(=O)(=O)C1 ZINC000922614014 666495337 /nfs/dbraw/zinc/49/53/37/666495337.db2.gz AVKIOOGHHMBCOU-AWEZNQCLSA-N 1 0 315.391 0.694 20 10 DCCDRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(F)ccc1O ZINC000866551690 667380497 /nfs/dbraw/zinc/38/04/97/667380497.db2.gz BYAYXLCDPNMXEM-ZBEGNZNMSA-N 1 0 324.352 0.810 20 10 DCCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876975226 668546612 /nfs/dbraw/zinc/54/66/12/668546612.db2.gz CZFWOJJACGFFQF-CVEARBPZSA-N 1 0 319.405 0.380 20 10 DCCDRO O=C1CC2(CN1)CC[NH+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC000768467087 668610332 /nfs/dbraw/zinc/61/03/32/668610332.db2.gz YFUBFNWJIRCEAT-AWEZNQCLSA-N 1 0 318.373 0.920 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 ZINC000877668751 668638230 /nfs/dbraw/zinc/63/82/30/668638230.db2.gz UGNRXNBEQJRBPO-IYBDPMFKSA-N 1 0 304.346 0.885 20 10 DCCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000877748906 668644493 /nfs/dbraw/zinc/64/44/93/668644493.db2.gz MHKQJPSNOTTWNL-CVEARBPZSA-N 1 0 310.369 0.590 20 10 DCCDRO Cn1nnnc1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000771878310 668758342 /nfs/dbraw/zinc/75/83/42/668758342.db2.gz XFSDMPZNHILSJJ-UHFFFAOYSA-N 1 0 302.382 0.379 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775375066 668861678 /nfs/dbraw/zinc/86/16/78/668861678.db2.gz IGMDFJUEXGMLSZ-SNVBAGLBSA-N 1 0 302.396 0.991 20 10 DCCDRO COc1cc(O)c(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1OC ZINC000776253597 668874186 /nfs/dbraw/zinc/87/41/86/668874186.db2.gz YSSSOQGBJAQWPH-VIFPVBQESA-N 1 0 303.380 0.932 20 10 DCCDRO COc1ccc(N2CC[NH+](CC3(CO)COC3)CC2)c(OC)c1 ZINC000879462468 669038564 /nfs/dbraw/zinc/03/85/64/669038564.db2.gz PCMHVJDYIOHHAP-UHFFFAOYSA-N 1 0 322.405 0.835 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)Cn2cc(CC[NH3+])nn2)cc1 ZINC000881083458 669293988 /nfs/dbraw/zinc/29/39/88/669293988.db2.gz BQIOAKKBSNXICT-UHFFFAOYSA-N 1 0 316.409 0.504 20 10 DCCDRO Cn1ncnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883146456 669655277 /nfs/dbraw/zinc/65/52/77/669655277.db2.gz NTBCRPWXQGVILQ-UHFFFAOYSA-N 1 0 314.393 0.497 20 10 DCCDRO O=C1N[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@@H]2CO1 ZINC000799144997 670044487 /nfs/dbraw/zinc/04/44/87/670044487.db2.gz SGLFXVSFAUIAQE-OSMZGAPFSA-N 1 0 320.345 0.748 20 10 DCCDRO O=C(NCc1ccccc1O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818214061 670989847 /nfs/dbraw/zinc/98/98/47/670989847.db2.gz ONNFSNHODLOLHZ-GFCCVEGCSA-N 1 0 301.350 0.838 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000851685822 671013656 /nfs/dbraw/zinc/01/36/56/671013656.db2.gz SNNBVCWBVAPSBW-UHFFFAOYSA-N 1 0 316.405 0.237 20 10 DCCDRO Cn1cc([C@@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@H]2[NH3+])cn1 ZINC000818431288 671014917 /nfs/dbraw/zinc/01/49/17/671014917.db2.gz ILAVANNFAMTULV-QWHCGFSZSA-N 1 0 316.361 0.781 20 10 DCCDRO COC1CCN(c2ccc(C[NH+]3C[C@H](O)[C@@H](O)C3)cc2)CC1 ZINC000859454474 671116213 /nfs/dbraw/zinc/11/62/13/671116213.db2.gz CHBJIGVZGJKPAU-IRXDYDNUSA-N 1 0 306.406 0.839 20 10 DCCDRO CS(=O)(=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122907 671210103 /nfs/dbraw/zinc/21/01/03/671210103.db2.gz VPFXXHPSXGNUGP-UHFFFAOYSA-N 1 0 312.435 0.782 20 10 DCCDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853538657 671241632 /nfs/dbraw/zinc/24/16/32/671241632.db2.gz IOLSXHOXDGGOSK-RISCZKNCSA-N 1 0 320.345 0.845 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1Cl ZINC000826036265 671477634 /nfs/dbraw/zinc/47/76/34/671477634.db2.gz CSZWDCUDUGAURE-ZDUSSCGKSA-N 1 0 319.810 0.993 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000826985832 671509058 /nfs/dbraw/zinc/50/90/58/671509058.db2.gz LQDUACUUSDBZNO-LSDHHAIUSA-N 1 0 312.435 0.963 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000827906198 671539608 /nfs/dbraw/zinc/53/96/08/671539608.db2.gz IRRKGUIMTHYQCW-CYBMUJFWSA-N 1 0 322.384 0.376 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278137 671713237 /nfs/dbraw/zinc/71/32/37/671713237.db2.gz AVRKBFVFXPBAEG-MJBXVCDLSA-N 1 0 305.378 0.678 20 10 DCCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000835046062 671787091 /nfs/dbraw/zinc/78/70/91/671787091.db2.gz RERNNYWMOQBRRF-NQHOJNORSA-N 1 0 302.378 0.986 20 10 DCCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000841892334 671963492 /nfs/dbraw/zinc/96/34/92/671963492.db2.gz GULYXCGSLGMTIG-GFCCVEGCSA-N 1 0 322.361 0.654 20 10 DCCDRO COC[C@@]1(CNC(=O)NCc2ccc(OC)cc2O)CCC[NH2+]1 ZINC000841995147 671971530 /nfs/dbraw/zinc/97/15/30/671971530.db2.gz QMOYJJUJWASZQJ-INIZCTEOSA-N 1 0 323.393 0.969 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842073446 671980934 /nfs/dbraw/zinc/98/09/34/671980934.db2.gz UQJLBVHNXIBIOQ-STQMWFEESA-N 1 0 320.437 0.572 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202916 671994257 /nfs/dbraw/zinc/99/42/57/671994257.db2.gz MNZMLDGRYPLVHK-OCCSQVGLSA-N 1 0 318.421 0.880 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000842206289 671994630 /nfs/dbraw/zinc/99/46/30/671994630.db2.gz CJPJGTNSOGCWBY-AWEZNQCLSA-N 1 0 318.421 0.627 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[NH2+]C ZINC000842223693 671996693 /nfs/dbraw/zinc/99/66/93/671996693.db2.gz CBCPPPSPMAYRAC-UHFFFAOYSA-N 1 0 307.394 0.857 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)[NH3+])cc1 ZINC000842230356 671997354 /nfs/dbraw/zinc/99/73/54/671997354.db2.gz UBLDKLDIKUQAQC-CYBMUJFWSA-N 1 0 320.437 0.955 20 10 DCCDRO CN1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000843120482 672064343 /nfs/dbraw/zinc/06/43/43/672064343.db2.gz MXMBROZTFKLGIR-KRWDZBQOSA-N 1 0 304.438 0.598 20 10 DCCDRO Cn1cc(C[NH2+]Cc2cc(Cl)ccc2O)c(=O)n(C)c1=O ZINC000846059102 672291404 /nfs/dbraw/zinc/29/14/04/672291404.db2.gz YFIUAEMFSCZAIA-UHFFFAOYSA-N 1 0 309.753 0.733 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000846697235 672338525 /nfs/dbraw/zinc/33/85/25/672338525.db2.gz MTVQHTLJQRWNGS-MRXNPFEDSA-N 1 0 321.421 0.968 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+]CC3)CC2)cc1 ZINC000390328838 685260397 /nfs/dbraw/zinc/26/03/97/685260397.db2.gz RZRXQBFMRYXIAY-UHFFFAOYSA-N 1 0 318.421 0.249 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H](CO)[NH2+]CCF)cc1 ZINC001571448655 1162763661 /nfs/dbraw/zinc/76/36/61/1162763661.db2.gz ZMDWQVXHRBWPDB-LLVKDONJSA-N 1 0 311.317 0.499 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001621432925 1171410095 /nfs/dbraw/zinc/41/00/95/1171410095.db2.gz DMINPPPHOZRURI-CMPLNLGQSA-N 1 0 305.783 0.947 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC)CO)cc2=O ZINC001654809964 1173812341 /nfs/dbraw/zinc/81/23/41/1173812341.db2.gz KAIMSPMSJIWECG-VIFPVBQESA-N 1 0 308.338 0.472 20 10 DCCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001662465798 1174212827 /nfs/dbraw/zinc/21/28/27/1174212827.db2.gz JHCOKQAJLWYCLJ-MJSXRHKHSA-N 1 0 324.446 0.905 20 10 DCCDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(Cl)cc1O ZINC001664640196 1174444359 /nfs/dbraw/zinc/44/43/59/1174444359.db2.gz PENGIWXQGJUUMH-UHFFFAOYSA-N 1 0 307.803 0.531 20 10 DCCDRO COCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667939463 1174736249 /nfs/dbraw/zinc/73/62/49/1174736249.db2.gz LCNXGBQZGJDVAY-GFCCVEGCSA-N 1 0 323.353 0.176 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)cc1 ZINC001700645307 1178688445 /nfs/dbraw/zinc/68/84/45/1178688445.db2.gz FLYZDBMKABAXGZ-MJHDQNEOSA-N 1 0 319.365 0.939 20 10 DCCDRO COc1ccc(N2CCN(CC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000319871683 1190436069 /nfs/dbraw/zinc/43/60/69/1190436069.db2.gz TYQKSDRHJVOOMC-UHFFFAOYSA-N 1 0 318.421 0.249 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)cc1C ZINC001054505198 756519019 /nfs/dbraw/zinc/51/90/19/756519019.db2.gz FPYQEJFILSDORM-OCCSQVGLSA-N 1 0 319.405 0.816 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cc1C ZINC001055024728 756713457 /nfs/dbraw/zinc/71/34/57/756713457.db2.gz ALHJZMCBZMIOME-AAEUAGOBSA-N 1 0 305.378 0.425 20 10 DCCDRO O=C(c1cc(O)c(O)c(O)c1)N(c1ncccn1)C1C[NH2+]C1 ZINC001148588286 768021144 /nfs/dbraw/zinc/02/11/44/768021144.db2.gz QVMAAFYBWOQJAP-UHFFFAOYSA-N 1 0 302.290 0.212 20 10 DCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccc(O)c(O)c1 ZINC001123768889 768054661 /nfs/dbraw/zinc/05/46/61/768054661.db2.gz FLHNGPXNCXNDPM-WCQYABFASA-N 1 0 305.378 0.145 20 10 DCCDRO C[NH+]1CCC(N(CCO)C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001143829823 766713231 /nfs/dbraw/zinc/71/32/31/766713231.db2.gz ZTXZYUUJJUZYRE-UHFFFAOYSA-N 1 0 308.378 0.555 20 10 DCCDRO Oc1cc(O)c(C[NH+]2CCN(c3ccncn3)CC2)c(O)c1 ZINC001144515196 766964740 /nfs/dbraw/zinc/96/47/40/766964740.db2.gz HSQGZXGHYMRLIA-UHFFFAOYSA-N 1 0 302.334 0.916 20 10 DCCDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515495 766964896 /nfs/dbraw/zinc/96/48/96/766964896.db2.gz QIHPMINOMWHWSA-JTQLQIEISA-N 1 0 301.364 0.812 20 10 DCCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN1C(=O)CSC1=S ZINC001144841851 767063208 /nfs/dbraw/zinc/06/32/08/767063208.db2.gz XQDALTOHCNYFHN-DTWKUNHWSA-N 1 0 301.437 0.398 20 10 DCCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N)cc2)[C@@H](C)C1 ZINC001120591588 767089331 /nfs/dbraw/zinc/08/93/31/767089331.db2.gz BNEIEKCGRUUQCD-STQMWFEESA-N 1 0 306.410 0.865 20 10 DCCDRO C[C@]1(C(=O)NCCCSc2nccs2)C[C@H](O)C[NH2+]1 ZINC001121874879 767654187 /nfs/dbraw/zinc/65/41/87/767654187.db2.gz DBXIDJCSSBMLFC-JOYOIKCWSA-N 1 0 301.437 0.854 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(OC)c1 ZINC001141032227 768562547 /nfs/dbraw/zinc/56/25/47/768562547.db2.gz WPHBREGTUXARJZ-JKSUJKDBSA-N 1 0 311.378 0.975 20 10 DCCDRO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141160023 768570396 /nfs/dbraw/zinc/57/03/96/768570396.db2.gz PIGZXSLGRDWGQN-TXEJJXNPSA-N 1 0 323.345 0.882 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@H](O)C(C)(C)O)CC2)c(OC)c1 ZINC001175522616 769917409 /nfs/dbraw/zinc/91/74/09/769917409.db2.gz JXDPACIMULZADW-INIZCTEOSA-N 1 0 324.421 0.958 20 10 DCCDRO CCNC(=O)CN1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001180385809 771110264 /nfs/dbraw/zinc/11/02/64/771110264.db2.gz BRHILCJRFXZFOU-UHFFFAOYSA-N 1 0 321.421 0.963 20 10 DCCDRO CN1CCN(C)C2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001204274041 771126271 /nfs/dbraw/zinc/12/62/71/771126271.db2.gz ZHUNLHADWLYEPV-UHFFFAOYSA-N 1 0 319.405 0.836 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)cc1C ZINC001157371904 771598260 /nfs/dbraw/zinc/59/82/60/771598260.db2.gz VVUKMHJQLYSYOV-ZDUSSCGKSA-N 1 0 321.377 0.708 20 10 DCCDRO CCOc1cccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000400218591 774024054 /nfs/dbraw/zinc/02/40/54/774024054.db2.gz MSQFIIJMQVCHAC-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO Nc1ccc2c(c1NC(=O)[C@@H](N)C[NH3+])C(=O)c1ccccc1C2=O ZINC001219001818 774346959 /nfs/dbraw/zinc/34/69/59/774346959.db2.gz FQBUQTYSLNMMGE-LBPRGKRZSA-N 1 0 324.340 0.269 20 10 DCCDRO Cc1cc(C)c(CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)c(O)c1 ZINC001220825780 774926670 /nfs/dbraw/zinc/92/66/70/774926670.db2.gz QROJFUVMWPRDCZ-AWEZNQCLSA-N 1 0 319.405 0.965 20 10 DCCDRO O=C([O-])c1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222094631 775268448 /nfs/dbraw/zinc/26/84/48/775268448.db2.gz HUNHTTSTTIDHPO-UHFFFAOYSA-N 1 0 305.378 0.618 20 10 DCCDRO C[C@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1cc(F)ccc1O ZINC001278255735 945195886 /nfs/dbraw/zinc/19/58/86/945195886.db2.gz XLXUNSJHTMSTLJ-VIFPVBQESA-N 1 0 319.340 0.669 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1 ZINC001270036109 940820768 /nfs/dbraw/zinc/82/07/68/940820768.db2.gz CJWLDGVIQIOTEC-OKILXGFUSA-N 1 0 319.405 0.948 20 10 DCCDRO C[NH+](C)CCN1CCC12CN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001270580639 940930121 /nfs/dbraw/zinc/93/01/21/940930121.db2.gz VNNSXCPLZDLSSP-UHFFFAOYSA-N 1 0 319.405 0.489 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001276833451 944319528 /nfs/dbraw/zinc/31/95/28/944319528.db2.gz NTKIBKUXDRCKAR-KGLIPLIRSA-N 1 0 321.421 0.871 20 10 DCCDRO Cn1cnc([C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]2C(N)=O)c1 ZINC001277191446 944699538 /nfs/dbraw/zinc/69/95/38/944699538.db2.gz CSMGWISDJKIJFG-CHWSQXEVSA-N 1 0 316.361 0.532 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)c1 ZINC001277463529 944828462 /nfs/dbraw/zinc/82/84/62/944828462.db2.gz LPRCDJWNVBNHRM-KYOSRNDESA-N 1 0 306.362 0.866 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001262161322 947587442 /nfs/dbraw/zinc/58/74/42/947587442.db2.gz HALJRECAWCLENS-CYBMUJFWSA-N 1 0 305.378 0.546 20 10 DCCDRO COC(=O)[C@@H]1C[NH+](Cc2cc(F)ccc2O)C[C@H]1C(=O)OC ZINC001262379238 947665661 /nfs/dbraw/zinc/66/56/61/947665661.db2.gz VJGTVPXDRLJZSA-VXGBXAGGSA-N 1 0 311.309 0.925 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)CNCC[NH3+])C2)cc1 ZINC001263131976 947812091 /nfs/dbraw/zinc/81/20/91/947812091.db2.gz ILYODMQPISVXCB-ZDUSSCGKSA-N 1 0 306.410 0.186 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001328989126 949264161 /nfs/dbraw/zinc/26/41/61/949264161.db2.gz LLNOKEAXJLXHQA-GUYCJALGSA-N 1 0 317.389 0.690 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)c(OC)c1 ZINC001330617941 950551307 /nfs/dbraw/zinc/55/13/07/950551307.db2.gz FIHRZKDORFAGCW-UHFFFAOYSA-N 1 0 319.405 0.962 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](C)[NH2+]1 ZINC001332116389 951485286 /nfs/dbraw/zinc/48/52/86/951485286.db2.gz NFMUOYVVLNTUIC-PHIMTYICSA-N 1 0 303.362 0.443 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001274745252 951819573 /nfs/dbraw/zinc/81/95/73/951819573.db2.gz QWFCQFULKDRCKW-KRWDZBQOSA-N 1 0 319.405 0.891 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1C[NH3+] ZINC001332891384 951838277 /nfs/dbraw/zinc/83/82/77/951838277.db2.gz BPTVICPBVXCMKX-VXGBXAGGSA-N 1 0 317.389 0.678 20 10 DCCDRO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001275821731 952478992 /nfs/dbraw/zinc/47/89/92/952478992.db2.gz YHBJPEGNRYFCEV-PBHICJAKSA-N 1 0 321.421 0.544 20 10 DCCDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(N)cc1 ZINC001336284943 952671631 /nfs/dbraw/zinc/67/16/31/952671631.db2.gz FCPSNHQOLDMJMK-UHFFFAOYSA-N 1 0 320.437 0.491 20 10 DCCDRO [NH3+]C[C@H](O)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001340319038 953161276 /nfs/dbraw/zinc/16/12/76/953161276.db2.gz FOWBLLJOZRHFRI-KGLIPLIRSA-N 1 0 308.378 0.610 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001341321737 953223564 /nfs/dbraw/zinc/22/35/64/953223564.db2.gz WBKVBZMLFCVNPJ-XJKSGUPXSA-N 1 0 323.437 0.806 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C2)cc1 ZINC001341988024 953263024 /nfs/dbraw/zinc/26/30/24/953263024.db2.gz KHZJRAIRQARJSE-IUODEOHRSA-N 1 0 321.421 0.736 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCNCC[NH2+]CC2)cc1 ZINC001353255137 955994842 /nfs/dbraw/zinc/99/48/42/955994842.db2.gz RLIIHZNRUVZVET-UHFFFAOYSA-N 1 0 305.426 0.457 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001464675673 1015935644 /nfs/dbraw/zinc/93/56/44/1015935644.db2.gz YZULMCKPWWWCIV-OLZOCXBDSA-N 1 0 306.362 0.769 20 10 DCCDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2CO)c(C)n1-c1ccccn1 ZINC001522417223 1017489613 /nfs/dbraw/zinc/48/96/13/1017489613.db2.gz DUUXAVQLEVJIID-CQSZACIVSA-N 1 0 314.389 0.895 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000279495031 396179171 /nfs/dbraw/zinc/17/91/71/396179171.db2.gz VJHSIPLPPHWIJY-MRXNPFEDSA-N 1 0 319.361 0.965 20 10 DCCDRO COc1c(O)c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000282190103 396270154 /nfs/dbraw/zinc/27/01/54/396270154.db2.gz GFAXOIDKKYJVPX-KCJUWKMLSA-N 1 0 309.322 0.923 20 10 DCCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283312481 396328519 /nfs/dbraw/zinc/32/85/19/396328519.db2.gz BLNKKVZKAGGXIM-CYBMUJFWSA-N 1 0 320.437 0.825 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)C3([NH3+])CC3)CC2)cc1 ZINC000269287019 396403684 /nfs/dbraw/zinc/40/36/84/396403684.db2.gz IYCDGKWLYUAHDZ-UHFFFAOYSA-N 1 0 318.421 0.425 20 10 DCCDRO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000291665715 396505968 /nfs/dbraw/zinc/50/59/68/396505968.db2.gz VSZZRPCSCHATHJ-UHFFFAOYSA-N 1 0 313.423 0.719 20 10 DCCDRO COCCC[N@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298547975 416014679 /nfs/dbraw/zinc/01/46/79/416014679.db2.gz NWWWLJDXWCLIAF-UHFFFAOYSA-N 1 0 323.437 0.700 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419712454 337491603 /nfs/dbraw/zinc/49/16/03/337491603.db2.gz UCSWLGZSEYZUHP-UHFFFAOYSA-N 1 0 316.405 0.829 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CC(N)=O)C2)cc1C ZINC000998779207 665526293 /nfs/dbraw/zinc/52/62/93/665526293.db2.gz DJLJEEZWXFMHAV-AWEZNQCLSA-N 1 0 319.405 0.960 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CC(=O)N2)[NH+](C)C)cc1 ZINC000891250580 658086607 /nfs/dbraw/zinc/08/66/07/658086607.db2.gz XOXXHOQFLXWDLH-HIFRSBDPSA-N 1 0 318.421 0.750 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)c2cn[nH]n2)[NH+](C)C)cc1 ZINC000891255452 658095740 /nfs/dbraw/zinc/09/57/40/658095740.db2.gz PLIBXQRFOJWJSU-AWEZNQCLSA-N 1 0 302.382 0.903 20 10 DCCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000898356836 662950929 /nfs/dbraw/zinc/95/09/29/662950929.db2.gz UZRTUXKGRJPMSR-GXTWGEPZSA-N 1 0 324.377 0.940 20 10 DCCDRO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(O)c1O ZINC000900810306 663283142 /nfs/dbraw/zinc/28/31/42/663283142.db2.gz GNDOBYWVDHMFFG-AAEUAGOBSA-N 1 0 307.394 0.770 20 10 DCCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000903969146 663499405 /nfs/dbraw/zinc/49/94/05/663499405.db2.gz VLACMPAKFYAXSB-LBPRGKRZSA-N 1 0 318.826 0.912 20 10 DCCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904388849 663511538 /nfs/dbraw/zinc/51/15/38/663511538.db2.gz PHDWNKKHFQTGEK-HNNXBMFYSA-N 1 0 324.446 0.878 20 10 DCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905482047 663558413 /nfs/dbraw/zinc/55/84/13/663558413.db2.gz RCQVZRVESQMQSZ-INIZCTEOSA-N 1 0 321.421 0.485 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000907272742 663679950 /nfs/dbraw/zinc/67/99/50/663679950.db2.gz ITZPQIDKGMFGNA-RISCZKNCSA-N 1 0 320.389 0.866 20 10 DCCDRO C/C=C\[C@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838599 665184862 /nfs/dbraw/zinc/18/48/62/665184862.db2.gz KBMKKCBGAXUMDK-QGZUEGPWSA-N 1 0 303.406 0.992 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2)CC1 ZINC000918905878 665189567 /nfs/dbraw/zinc/18/95/67/665189567.db2.gz IPWAMEKGCMDVRL-HNNXBMFYSA-N 1 0 316.405 0.333 20 10 DCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000861743868 666970521 /nfs/dbraw/zinc/97/05/21/666970521.db2.gz PQMRTTBDEXJIHB-VIFPVBQESA-N 1 0 316.452 0.547 20 10 DCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861767791 666976326 /nfs/dbraw/zinc/97/63/26/666976326.db2.gz QSYSMCBXFAINAG-VXGBXAGGSA-N 1 0 306.410 0.735 20 10 DCCDRO Cc1ccc(O)c(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1 ZINC000865798775 667348301 /nfs/dbraw/zinc/34/83/01/667348301.db2.gz YIEGVCAJYAOLFA-MRXNPFEDSA-N 1 0 306.362 0.418 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)c(OC)c1 ZINC000870164442 667716191 /nfs/dbraw/zinc/71/61/91/667716191.db2.gz XUYJXXRQHIZNRF-UHFFFAOYSA-N 1 0 307.394 0.914 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H](O)C3)cc2)CC1 ZINC000889661287 667981969 /nfs/dbraw/zinc/98/19/69/667981969.db2.gz WEZQUWRFNSRKHN-KOMQPUFPSA-N 1 0 318.421 0.761 20 10 DCCDRO O=C1NC(=O)C2(CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)N1 ZINC000761217694 668315222 /nfs/dbraw/zinc/31/52/22/668315222.db2.gz XSLFROMSBNQYFX-UHFFFAOYSA-N 1 0 319.317 0.295 20 10 DCCDRO CC[NH+]1CCN(CC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000762267392 668354004 /nfs/dbraw/zinc/35/40/04/668354004.db2.gz JDDGLAQBWOIECW-UHFFFAOYSA-N 1 0 307.394 0.394 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000763263378 668404251 /nfs/dbraw/zinc/40/42/51/668404251.db2.gz XVAJFYLRSITKOG-INIZCTEOSA-N 1 0 302.422 0.759 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000764157712 668436074 /nfs/dbraw/zinc/43/60/74/668436074.db2.gz SEKFOAOAYQUXTR-DOMZBBRYSA-N 1 0 319.405 0.968 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)cc1 ZINC000876708572 668492396 /nfs/dbraw/zinc/49/23/96/668492396.db2.gz UJSLPKWLPXALIT-LSDHHAIUSA-N 1 0 305.378 0.460 20 10 DCCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000769534531 668651843 /nfs/dbraw/zinc/65/18/43/668651843.db2.gz VPFICMXYAJFCTM-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO CN(C)c1ccc(C[N@H+](C)CC(=O)N2CCN(C)CC2)cc1 ZINC000780895794 669016629 /nfs/dbraw/zinc/01/66/29/669016629.db2.gz GEMGTSLTYBJIHT-UHFFFAOYSA-N 1 0 304.438 0.958 20 10 DCCDRO CC(=O)NCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849254 669397707 /nfs/dbraw/zinc/39/77/07/669397707.db2.gz LPVHAEXHZOPBDZ-UHFFFAOYSA-N 1 0 304.394 0.191 20 10 DCCDRO Cn1cnc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881853220 669398831 /nfs/dbraw/zinc/39/88/31/669398831.db2.gz NTYOTEBFVYPRDH-UHFFFAOYSA-N 1 0 314.393 0.497 20 10 DCCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)CN1 ZINC000788382909 669436937 /nfs/dbraw/zinc/43/69/37/669436937.db2.gz HUGABQHMUAGCQG-CZUORRHYSA-N 1 0 304.346 0.530 20 10 DCCDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789560624 669501557 /nfs/dbraw/zinc/50/15/57/669501557.db2.gz LCWFZGRWIZWXPG-AWEZNQCLSA-N 1 0 318.377 0.243 20 10 DCCDRO CN(C)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664357 669563119 /nfs/dbraw/zinc/56/31/19/669563119.db2.gz VHRUWJGRNGLJPY-UHFFFAOYSA-N 1 0 312.439 0.334 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O ZINC000840153720 670434705 /nfs/dbraw/zinc/43/47/05/670434705.db2.gz SEIVFGGRQBNJSL-STQMWFEESA-N 1 0 306.362 0.799 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000809750510 670460618 /nfs/dbraw/zinc/46/06/18/670460618.db2.gz YWLFPHYJMYMEQX-UHFFFAOYSA-N 1 0 319.361 0.917 20 10 DCCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000848566490 670696963 /nfs/dbraw/zinc/69/69/63/670696963.db2.gz YYTONWBOBBXCOO-JTQLQIEISA-N 1 0 302.334 0.897 20 10 DCCDRO COc1c([O-])c(C[N@H+](C[C@H](O)CO)C(C)C)ccc1[N+](=O)[O-] ZINC000817417966 670920747 /nfs/dbraw/zinc/92/07/47/670920747.db2.gz WEGYXWUUFQIOFW-NSHDSACASA-N 1 0 314.338 0.873 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1C[NH2+]C1 ZINC000851662784 671006969 /nfs/dbraw/zinc/00/69/69/671006969.db2.gz JIUSTHHJFLBPEF-UHFFFAOYSA-N 1 0 318.421 0.666 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000851685774 671013802 /nfs/dbraw/zinc/01/38/02/671013802.db2.gz GJWXPIVRKSBDLJ-NWDGAFQWSA-N 1 0 306.410 0.654 20 10 DCCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000858570057 671017314 /nfs/dbraw/zinc/01/73/14/671017314.db2.gz QYHNNKHDOIIUQE-LLVKDONJSA-N 1 0 313.423 0.842 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CCOC3C[NH2+]C3)CC2)cc1 ZINC000818608298 671035522 /nfs/dbraw/zinc/03/55/22/671035522.db2.gz YOSLUGDRCVIQFR-UHFFFAOYSA-N 1 0 319.405 0.722 20 10 DCCDRO C[C@@H]([NH2+]CCC(=O)NC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000818978178 671081705 /nfs/dbraw/zinc/08/17/05/671081705.db2.gz FDXSBSVDWJAMTD-GFCCVEGCSA-N 1 0 320.393 0.759 20 10 DCCDRO O[C@H](C[NH2+]CCCSc1nccs1)CN1CCOCC1 ZINC000819062737 671090847 /nfs/dbraw/zinc/09/08/47/671090847.db2.gz IXTSZECSIBLLBS-GFCCVEGCSA-N 1 0 317.480 0.908 20 10 DCCDRO [NH3+]CCn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)nn1 ZINC000852785325 671159952 /nfs/dbraw/zinc/15/99/52/671159952.db2.gz GPPKQGQYEWCCTP-UHFFFAOYSA-N 1 0 314.393 0.767 20 10 DCCDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)ccc(O)c1O ZINC000825643738 671468738 /nfs/dbraw/zinc/46/87/38/671468738.db2.gz KCVGUFDPGMVSOW-NXEZZACHSA-N 1 0 310.325 0.830 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000826985831 671509107 /nfs/dbraw/zinc/50/91/07/671509107.db2.gz LQDUACUUSDBZNO-HUUCEWRRSA-N 1 0 312.435 0.963 20 10 DCCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC[NH3+])cc2)C1 ZINC000827468982 671528842 /nfs/dbraw/zinc/52/88/42/671528842.db2.gz IKZZKJHIKVASLT-CYBMUJFWSA-N 1 0 304.394 0.353 20 10 DCCDRO Cc1c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nnn1C ZINC000832273555 671713219 /nfs/dbraw/zinc/71/32/19/671713219.db2.gz ORTCPVQDDPPXJY-CYBMUJFWSA-N 1 0 302.382 0.619 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCn2ccnn2)cc1 ZINC000832285173 671713624 /nfs/dbraw/zinc/71/36/24/671713624.db2.gz PEEWNOGEZAYJIW-CQSZACIVSA-N 1 0 302.382 0.550 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnc(N)cn2)cc1 ZINC000841846827 671959694 /nfs/dbraw/zinc/95/96/94/671959694.db2.gz WIMZPGQDUXRWEA-LBPRGKRZSA-N 1 0 300.366 0.555 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000842035266 671977524 /nfs/dbraw/zinc/97/75/24/671977524.db2.gz DRPXVUMTPQNTLG-ZIAGYGMSSA-N 1 0 318.421 0.755 20 10 DCCDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036233 671977967 /nfs/dbraw/zinc/97/79/67/671977967.db2.gz LXBOXDFAXIUOTC-AWEZNQCLSA-N 1 0 306.410 0.468 20 10 DCCDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842037354 671978137 /nfs/dbraw/zinc/97/81/37/671978137.db2.gz ZNSISIHDMXPDTI-HNNXBMFYSA-N 1 0 318.421 0.579 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000842036216 671978211 /nfs/dbraw/zinc/97/82/11/671978211.db2.gz LREZHVAJUILCAP-CQSZACIVSA-N 1 0 304.394 0.319 20 10 DCCDRO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000842069797 671981035 /nfs/dbraw/zinc/98/10/35/671981035.db2.gz CPQSRODJIAWYOY-ZDUSSCGKSA-N 1 0 320.437 0.444 20 10 DCCDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147512 671985642 /nfs/dbraw/zinc/98/56/42/671985642.db2.gz FVSWPFBJLWVXGL-LLVKDONJSA-N 1 0 322.384 0.328 20 10 DCCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842202736 671994223 /nfs/dbraw/zinc/99/42/23/671994223.db2.gz KYMGRWBRGJBQBE-RYUDHWBXSA-N 1 0 306.410 0.783 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[NH2+]C)cc1 ZINC000842208160 671994576 /nfs/dbraw/zinc/99/45/76/671994576.db2.gz SCWQZPLTEPFFQN-UHFFFAOYSA-N 1 0 306.410 0.485 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000842785506 672037471 /nfs/dbraw/zinc/03/74/71/672037471.db2.gz SKTIGCPZUPIROU-CQSZACIVSA-N 1 0 323.422 0.464 20 10 DCCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843433847 672094751 /nfs/dbraw/zinc/09/47/51/672094751.db2.gz FGGUVROAOTXPLD-QWRGUYRKSA-N 1 0 309.318 0.477 20 10 DCCDRO CCOc1ccc(O)c(CN2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000846011143 672289262 /nfs/dbraw/zinc/28/92/62/672289262.db2.gz MIAMEAOTSKCDJG-UHFFFAOYSA-N 1 0 321.421 0.997 20 10 DCCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001567662658 1160451115 /nfs/dbraw/zinc/45/11/15/1160451115.db2.gz LZHCWHXWPIDKRX-LBPRGKRZSA-N 1 0 322.405 0.944 20 10 DCCDRO COc1cc(O)c(C[NH2+]CC(=O)N2CCOCC2)cc1OC ZINC001621203240 1171406518 /nfs/dbraw/zinc/40/65/18/1171406518.db2.gz DEMVPGQWULSGMM-UHFFFAOYSA-N 1 0 310.350 0.358 20 10 DCCDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001643209257 1171969114 /nfs/dbraw/zinc/96/91/14/1171969114.db2.gz ZLRBRDUZEHVMMD-OAHLLOKOSA-N 1 0 319.365 0.988 20 10 DCCDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001657689355 1173916193 /nfs/dbraw/zinc/91/61/93/1173916193.db2.gz AYMUGEUSFCGPEP-LLVKDONJSA-N 1 0 309.366 0.913 20 10 DCCDRO COc1cc(C)c(C[NH2+]C[C@@]2(OCCO)CCOC2)c(O)c1 ZINC001660249295 1173966491 /nfs/dbraw/zinc/96/64/91/1173966491.db2.gz RIZMQEGDYNPLJA-INIZCTEOSA-N 1 0 311.378 0.967 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001713636183 1180983714 /nfs/dbraw/zinc/98/37/14/1180983714.db2.gz XXVWZOMUGLPFQV-KGLIPLIRSA-N 1 0 319.405 0.673 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC(N)=O)C2)cc1C ZINC001755468329 1189120679 /nfs/dbraw/zinc/12/06/79/1189120679.db2.gz QJTINZCVYUDIFZ-HDJSIYSDSA-N 1 0 319.405 0.863 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119294663 766627586 /nfs/dbraw/zinc/62/75/86/766627586.db2.gz FTWGREQURVVVOL-LBPRGKRZSA-N 1 0 306.410 0.531 20 10 DCCDRO CN(CC1CC[NH+](C)CC1)C(=O)CN1C(=O)CSC1=S ZINC001144844720 767063015 /nfs/dbraw/zinc/06/30/15/767063015.db2.gz YIMCABCEXGRDBS-UHFFFAOYSA-N 1 0 315.464 0.647 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)CNCC[NH3+])CC2)cc1 ZINC001121916645 767667430 /nfs/dbraw/zinc/66/74/30/767667430.db2.gz GGPBNLWKZRXKLI-UHFFFAOYSA-N 1 0 306.410 0.329 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140055469 768510982 /nfs/dbraw/zinc/51/09/82/768510982.db2.gz FWWDPFPCKXPVDV-INIZCTEOSA-N 1 0 321.352 0.454 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(OC)c1 ZINC001141032226 768562485 /nfs/dbraw/zinc/56/24/85/768562485.db2.gz WPHBREGTUXARJZ-HZPDHXFCSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1cc(CN2CC[C@H](S(C)(=O)=O)C2)c(O)cc1O ZINC001231634915 769271560 /nfs/dbraw/zinc/27/15/60/769271560.db2.gz BKXAXOFDEADVAT-JTQLQIEISA-N 1 0 301.364 0.725 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(OC)c(O)cc2O)CCN1C ZINC001231639564 769271887 /nfs/dbraw/zinc/27/18/87/769271887.db2.gz UKFYRYFXABGYQA-LLVKDONJSA-N 1 0 310.350 0.395 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001232840549 769337573 /nfs/dbraw/zinc/33/75/73/769337573.db2.gz COPGUDNRRMCSGL-CQSZACIVSA-N 1 0 305.378 0.501 20 10 DCCDRO CC1(C)CN(Cc2cc(O)c(O)c(O)c2)CCN1CC(N)=O ZINC001233016676 769343404 /nfs/dbraw/zinc/34/34/04/769343404.db2.gz JOROZWFLLACXJK-UHFFFAOYSA-N 1 0 309.366 0.185 20 10 DCCDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1C1CC1 ZINC001171999887 769407220 /nfs/dbraw/zinc/40/72/20/769407220.db2.gz WTNSEWOCROZXGE-IAQYHMDHSA-N 1 0 306.362 0.874 20 10 DCCDRO COc1cc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c(OC)c1 ZINC001234994238 769738210 /nfs/dbraw/zinc/73/82/10/769738210.db2.gz QNCLKMFOHODMCS-MRXNPFEDSA-N 1 0 307.394 0.547 20 10 DCCDRO [O-]c1cc(F)cc(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870544 769954454 /nfs/dbraw/zinc/95/44/54/769954454.db2.gz ODKPKZWQQZWBTE-UHFFFAOYSA-N 1 0 314.380 0.255 20 10 DCCDRO COc1cc(O)c(CN2CC[NH+](CCCO)CC2)cc1OC ZINC001236750330 770017691 /nfs/dbraw/zinc/01/76/91/770017691.db2.gz REBCKNIMUFPBLF-UHFFFAOYSA-N 1 0 310.394 0.909 20 10 DCCDRO NC(=O)C1CN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236770746 770018097 /nfs/dbraw/zinc/01/80/97/770018097.db2.gz KEKNUCCJZHOWBV-UHFFFAOYSA-N 1 0 301.140 0.777 20 10 DCCDRO C[NH+](C)C1CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237203925 770033200 /nfs/dbraw/zinc/03/32/00/770033200.db2.gz WYKBQINWAUKVTJ-UHFFFAOYSA-N 1 0 323.462 0.667 20 10 DCCDRO O=C(CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(O)c(O)c1 ZINC001182017775 771397864 /nfs/dbraw/zinc/39/78/64/771397864.db2.gz OXCSHHQZHXWVJI-LBPRGKRZSA-N 1 0 304.346 0.739 20 10 DCCDRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001157324077 771586929 /nfs/dbraw/zinc/58/69/29/771586929.db2.gz QJCKOJICOHYKTG-WMADIVHISA-N 1 0 321.377 0.471 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)cc1C ZINC001157371903 771598041 /nfs/dbraw/zinc/59/80/41/771598041.db2.gz VVUKMHJQLYSYOV-CYBMUJFWSA-N 1 0 321.377 0.708 20 10 DCCDRO CC(=O)N1CCOC[C@]2(C[N@H+](Cc3ccccc3O)CCO2)C1 ZINC001203552388 772913387 /nfs/dbraw/zinc/91/33/87/772913387.db2.gz MEWVARHIDVECLH-KRWDZBQOSA-N 1 0 320.389 0.842 20 10 DCCDRO COc1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c(O)c1 ZINC001203621903 772916465 /nfs/dbraw/zinc/91/64/65/772916465.db2.gz JRZYBAAENTXNOV-UHFFFAOYSA-N 1 0 306.362 0.882 20 10 DCCDRO Nc1ccc(CC(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219838723 774624311 /nfs/dbraw/zinc/62/43/11/774624311.db2.gz UARZMBGEKRWCHL-YOEHRIQHSA-N 1 0 319.405 0.323 20 10 DCCDRO C=C(N)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001219962941 774657275 /nfs/dbraw/zinc/65/72/75/774657275.db2.gz LQINFCMQVGERJD-UHFFFAOYSA-N 1 0 318.421 0.796 20 10 DCCDRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490131 774824894 /nfs/dbraw/zinc/82/48/94/774824894.db2.gz VAWCMVRPOLSRRX-JTQLQIEISA-N 1 0 310.350 0.539 20 10 DCCDRO CCOC(=O)C1=C(NC(=O)c2cc(O)c(O)c(OC)c2)C[NH2+]C1 ZINC001220834347 774930651 /nfs/dbraw/zinc/93/06/51/774930651.db2.gz UWCXPYHEDAPGNY-UHFFFAOYSA-N 1 0 322.317 0.257 20 10 DCCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272970807 945160907 /nfs/dbraw/zinc/16/09/07/945160907.db2.gz BEVUDFXXRJTJSK-TYNCELHUSA-N 1 0 306.362 0.164 20 10 DCCDRO COc1cc(CN2CC[C@@]3(C2)CN(C)C(=O)CO3)cc(O)c1O ZINC001272988683 945174872 /nfs/dbraw/zinc/17/48/72/945174872.db2.gz UUELHMPUVFSXNU-INIZCTEOSA-N 1 0 322.361 0.540 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2COC(=O)N2)cc1C ZINC001481225704 939653629 /nfs/dbraw/zinc/65/36/29/939653629.db2.gz SOFABZOOGMYIOE-CYBMUJFWSA-N 1 0 321.377 0.660 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CN1 ZINC001246105388 945336438 /nfs/dbraw/zinc/33/64/38/945336438.db2.gz BGJMDKOXHGOJNM-HOCLYGCPSA-N 1 0 319.405 0.516 20 10 DCCDRO O=C1N(C2COC2)CC[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001272387082 942729526 /nfs/dbraw/zinc/72/95/26/942729526.db2.gz SPNKHIFXRFRIKI-QGZVFWFLSA-N 1 0 318.373 0.921 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]n2)cc1C ZINC001486012140 944475177 /nfs/dbraw/zinc/47/51/77/944475177.db2.gz SZZGSKRTUYACFU-LBPRGKRZSA-N 1 0 319.365 0.002 20 10 DCCDRO O=C(Nc1nnco1)[C@H]1CC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001277192055 944698083 /nfs/dbraw/zinc/69/80/83/944698083.db2.gz KDPNBWBUIFGJHS-LLVKDONJSA-N 1 0 316.317 0.941 20 10 DCCDRO C[C@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1ccc(O)cc1O ZINC001277191439 944698798 /nfs/dbraw/zinc/69/87/98/944698798.db2.gz CEDYZIXSOXRJRN-VIFPVBQESA-N 1 0 317.349 0.235 20 10 DCCDRO COC(=O)[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC001252441597 945929868 /nfs/dbraw/zinc/92/98/68/945929868.db2.gz KEHQITYWGDFCPM-SNVBAGLBSA-N 1 0 304.140 0.778 20 10 DCCDRO Oc1ccc([C@@H](O)C[NH2+]C[C@H](O)COCc2ccco2)cc1O ZINC001252626036 945970145 /nfs/dbraw/zinc/97/01/45/945970145.db2.gz ZJSCAWYSCLZOPE-LRDDRELGSA-N 1 0 323.345 0.892 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCC(C)(C)[NH3+])cc1 ZINC001262061554 947545578 /nfs/dbraw/zinc/54/55/78/947545578.db2.gz COSYSLMSXHAJRE-UHFFFAOYSA-N 1 0 306.410 0.612 20 10 DCCDRO CCCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@H]1CC[NH2+]C1 ZINC001329036125 949307255 /nfs/dbraw/zinc/30/72/55/949307255.db2.gz LABLZZXIARXREQ-AWEZNQCLSA-N 1 0 319.405 0.951 20 10 DCCDRO COC(=O)[C@@H]1C[NH+](Cc2c(O)cccc2OC)C[C@H]1C(=O)OC ZINC001334355584 952294832 /nfs/dbraw/zinc/29/48/32/952294832.db2.gz GFBCIQMULZRJJB-GHMZBOCLSA-N 1 0 323.345 0.795 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H]1C[NH3+] ZINC001335261371 952506156 /nfs/dbraw/zinc/50/61/56/952506156.db2.gz HGEVTJJCUBULEZ-QWHCGFSZSA-N 1 0 319.405 0.794 20 10 DCCDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1Cc2cccc(O)c2C1 ZINC001336684182 952752367 /nfs/dbraw/zinc/75/23/67/952752367.db2.gz XLQSTZCPVKAOGP-KGYLQXTDSA-N 1 0 301.346 0.244 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCSc1nccs1 ZINC001339937911 953132374 /nfs/dbraw/zinc/13/23/74/953132374.db2.gz CZUOITCOJMQRDR-VHSXEESVSA-N 1 0 303.453 0.958 20 10 DCCDRO C[C@@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)c1ccccc1O ZINC001342406633 953287946 /nfs/dbraw/zinc/28/79/46/953287946.db2.gz TXHDFWIGIVWDSO-DGCLKSJQSA-N 1 0 305.378 0.767 20 10 DCCDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1c(O)cccc1F ZINC001342613723 953298014 /nfs/dbraw/zinc/29/80/14/953298014.db2.gz QYNDBEQIIQDYLJ-GFCCVEGCSA-N 1 0 309.341 0.406 20 10 DCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001343353308 953340086 /nfs/dbraw/zinc/34/00/86/953340086.db2.gz CHUYDIOOWNMLAN-CJNGLKHVSA-N 1 0 321.421 0.560 20 10 DCCDRO C[NH+](C)CCn1cc(C(=O)NCc2cccc(O)c2O)cn1 ZINC001350299950 955050761 /nfs/dbraw/zinc/05/07/61/955050761.db2.gz LTIZLXJCSNPLNH-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO Nc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC001353493465 956079124 /nfs/dbraw/zinc/07/91/24/956079124.db2.gz YVYMKEWAVMBQKT-HUUCEWRRSA-N 1 0 304.394 0.931 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001464675676 1015936062 /nfs/dbraw/zinc/93/60/62/1015936062.db2.gz YZULMCKPWWWCIV-QWHCGFSZSA-N 1 0 306.362 0.769 20 10 DCCDRO O=C(C[NH2+]Cc1ccc(N2CCOCC2)cc1)N1CCCO1 ZINC001474295817 1017013974 /nfs/dbraw/zinc/01/39/74/1017013974.db2.gz LRCPTKDAQNJVGT-UHFFFAOYSA-N 1 0 305.378 0.777 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)c1 ZINC001521265481 1017343472 /nfs/dbraw/zinc/34/34/72/1017343472.db2.gz DISLFRUACSUKEX-TYNCELHUSA-N 1 0 319.405 0.966 20 10 DCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001521932386 1017420947 /nfs/dbraw/zinc/42/09/47/1017420947.db2.gz VJPZNMMZUVBEJJ-ZENOOKHLSA-N 1 0 321.421 0.607 20 10 DCCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000378346215 530023864 /nfs/dbraw/zinc/02/38/64/530023864.db2.gz PVCWCGVWNXJMLX-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1c(O)c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000282190106 396270093 /nfs/dbraw/zinc/27/00/93/396270093.db2.gz GFAXOIDKKYJVPX-LDYMZIIASA-N 1 0 309.322 0.923 20 10 DCCDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(O)c1O ZINC000193167543 396445106 /nfs/dbraw/zinc/44/51/06/396445106.db2.gz WSBSHDKVJXKHHK-LBPRGKRZSA-N 1 0 307.394 0.854 20 10 DCCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000181566463 520045880 /nfs/dbraw/zinc/04/58/80/520045880.db2.gz RMOOFYWARYYZOE-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cc1C ZINC000980690913 660986442 /nfs/dbraw/zinc/98/64/42/660986442.db2.gz YAVFRAHSJWSXQA-TZMCWYRMSA-N 1 0 319.405 0.816 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C(N)=O)[NH+](C)C)cc1 ZINC000891248720 658084229 /nfs/dbraw/zinc/08/42/29/658084229.db2.gz NICHOIYYLIWGNU-CQSZACIVSA-N 1 0 320.437 0.983 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)cc1 ZINC000318326918 658702659 /nfs/dbraw/zinc/70/26/59/658702659.db2.gz TYNJLKLHGIPPCV-HNNXBMFYSA-N 1 0 307.394 0.708 20 10 DCCDRO COc1cc(C(=O)NC2CCC([NH2+]CCO)CC2)cc(OC)n1 ZINC001026522031 659380309 /nfs/dbraw/zinc/38/03/09/659380309.db2.gz KNMSLOMCSXYRBN-UHFFFAOYSA-N 1 0 323.393 0.722 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000182365294 665793846 /nfs/dbraw/zinc/79/38/46/665793846.db2.gz OLJYFOLISVDQKA-JTQLQIEISA-N 1 0 319.361 0.649 20 10 DCCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1O ZINC000894877250 662023977 /nfs/dbraw/zinc/02/39/77/662023977.db2.gz SUCAVZZACXENBH-AWEZNQCLSA-N 1 0 315.391 0.348 20 10 DCCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895327180 662169109 /nfs/dbraw/zinc/16/91/09/662169109.db2.gz AXIFNFBDUFUZJI-WMLDXEAASA-N 1 0 324.396 0.980 20 10 DCCDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000895327721 662169445 /nfs/dbraw/zinc/16/94/45/662169445.db2.gz PTTMFAHSXMZLMJ-SJORKVTESA-N 1 0 306.406 0.841 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1C ZINC000984728940 662292670 /nfs/dbraw/zinc/29/26/70/662292670.db2.gz UFDQEPHHNBTMKN-JOCQHMNTSA-N 1 0 305.378 0.473 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000897276783 662423086 /nfs/dbraw/zinc/42/30/86/662423086.db2.gz BMUBDOKGBSYYGH-HNNXBMFYSA-N 1 0 324.450 0.395 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2c(O)cccc2F)CC1=O ZINC000928705515 662477673 /nfs/dbraw/zinc/47/76/73/662477673.db2.gz KREPHWVTXWMCEX-NSHDSACASA-N 1 0 323.368 0.558 20 10 DCCDRO COc1cc(O)c(C[NH2+]CCCc2nnnn2C)cc1OC ZINC000898039610 662936190 /nfs/dbraw/zinc/93/61/90/662936190.db2.gz ATLRJOIKWRIFHL-UHFFFAOYSA-N 1 0 307.354 0.655 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1O ZINC000927025977 663079641 /nfs/dbraw/zinc/07/96/41/663079641.db2.gz JGVFWNXRIYGGAF-NXEZZACHSA-N 1 0 303.380 0.457 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000911111402 663982013 /nfs/dbraw/zinc/98/20/13/663982013.db2.gz GCDDJNJDSOUDKW-ZWNOBZJWSA-N 1 0 322.384 0.232 20 10 DCCDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861736209 666969411 /nfs/dbraw/zinc/96/94/11/666969411.db2.gz VJFGEOQFFGIRHS-TZMCWYRMSA-N 1 0 318.421 0.626 20 10 DCCDRO COc1cccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c1O ZINC000865798577 667348191 /nfs/dbraw/zinc/34/81/91/667348191.db2.gz VSNDYABUMQRQGF-INIZCTEOSA-N 1 0 322.361 0.118 20 10 DCCDRO CS(=O)(=O)NCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000019230845 667855076 /nfs/dbraw/zinc/85/50/76/667855076.db2.gz MJPVSJJJXDKLHY-UHFFFAOYSA-N 1 0 313.423 0.162 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@](C)(O)CO)cc1Cn1cccn1 ZINC000873117015 667974164 /nfs/dbraw/zinc/97/41/64/667974164.db2.gz GMRXMWFVJJWQMM-MRXNPFEDSA-N 1 0 305.378 0.773 20 10 DCCDRO COc1cccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1O ZINC000764102682 668435003 /nfs/dbraw/zinc/43/50/03/668435003.db2.gz UFPUMKMWSVIUJT-ZDUSSCGKSA-N 1 0 305.378 0.407 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](O)[C@@H](C)C1)cc2=O ZINC000768766971 668620516 /nfs/dbraw/zinc/62/05/16/668620516.db2.gz LKUYIRAELSVCQI-CABZTGNLSA-N 1 0 320.349 0.424 20 10 DCCDRO OC1CCN(c2ccc(C[N@@H+]3CCOC[C@H](O)C3)cc2)CC1 ZINC000877562364 668629137 /nfs/dbraw/zinc/62/91/37/668629137.db2.gz YDHDHMHUEFDWGN-QGZVFWFLSA-N 1 0 306.406 0.841 20 10 DCCDRO COc1ccc(O)c(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 ZINC000877668747 668638584 /nfs/dbraw/zinc/63/85/84/668638584.db2.gz UGNRXNBEQJRBPO-HOTGVXAUSA-N 1 0 304.346 0.885 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000769456518 668649284 /nfs/dbraw/zinc/64/92/84/668649284.db2.gz KLTYNSVNBDQMFN-SNVBAGLBSA-N 1 0 300.380 0.524 20 10 DCCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769534235 668652089 /nfs/dbraw/zinc/65/20/89/668652089.db2.gz TWQHZGQTVLOKBC-NSHDSACASA-N 1 0 314.407 0.914 20 10 DCCDRO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769565035 668653130 /nfs/dbraw/zinc/65/31/30/668653130.db2.gz TTYRCUCIZFNGCX-OKILXGFUSA-N 1 0 310.369 0.590 20 10 DCCDRO COc1ccc(N2CCC[N@H+](CCn3cnnn3)CC2)cc1 ZINC000877984465 668667335 /nfs/dbraw/zinc/66/73/35/668667335.db2.gz HJRKHFCYKZLJRH-UHFFFAOYSA-N 1 0 302.382 0.894 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000878981130 668959955 /nfs/dbraw/zinc/95/99/55/668959955.db2.gz GBLHXMLVROCMJA-DOTOQJQBSA-N 1 0 321.421 0.186 20 10 DCCDRO COCCCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccccc1O ZINC000879651062 669081014 /nfs/dbraw/zinc/08/10/14/669081014.db2.gz GFGNWJNXSUQSMP-LBPRGKRZSA-N 1 0 316.423 0.999 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cn3cccn3)cc2)CC1 ZINC000881848859 669398026 /nfs/dbraw/zinc/39/80/26/669398026.db2.gz BSCGCZUWPCYZIN-UHFFFAOYSA-N 1 0 313.405 0.951 20 10 DCCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)Cn2ccnn2)cc1F ZINC000858178267 670976497 /nfs/dbraw/zinc/97/64/97/670976497.db2.gz TYAHHTXSCSYYRI-NSHDSACASA-N 1 0 311.336 0.773 20 10 DCCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cn1cccn1 ZINC000818972976 671081727 /nfs/dbraw/zinc/08/17/27/671081727.db2.gz KAKSEGAQURXQEW-QGZVFWFLSA-N 1 0 316.405 0.870 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852854563 671174959 /nfs/dbraw/zinc/17/49/59/671174959.db2.gz KFFYOTWDFLHXAD-CVEARBPZSA-N 1 0 319.405 0.708 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827008442 671509832 /nfs/dbraw/zinc/50/98/32/671509832.db2.gz OLYPYAQPYNNTEG-AWEZNQCLSA-N 1 0 305.378 0.793 20 10 DCCDRO CC(C)([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827468574 671528851 /nfs/dbraw/zinc/52/88/51/671528851.db2.gz AERRFJQRZNVGNN-ZDUSSCGKSA-N 1 0 318.421 0.742 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000827567694 671531829 /nfs/dbraw/zinc/53/18/29/671531829.db2.gz VNTZKJAOWSXJKG-INIZCTEOSA-N 1 0 307.369 0.841 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000831748470 671683533 /nfs/dbraw/zinc/68/35/33/671683533.db2.gz CYBYQKHSQUDOAC-XJKSGUPXSA-N 1 0 319.405 0.626 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000831748468 671683633 /nfs/dbraw/zinc/68/36/33/671683633.db2.gz CYBYQKHSQUDOAC-CJNGLKHVSA-N 1 0 319.405 0.626 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C(N)=O)o2)cc1 ZINC000832266720 671712727 /nfs/dbraw/zinc/71/27/27/671712727.db2.gz ICUFYINHRHMUPE-GFCCVEGCSA-N 1 0 316.361 0.874 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2nnc[nH]2)cc1 ZINC000832267639 671712814 /nfs/dbraw/zinc/71/28/14/671712814.db2.gz YDVOJEQVHWCWSU-ZDUSSCGKSA-N 1 0 302.382 0.620 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCCNC(N)=O)cc1 ZINC000832280204 671713303 /nfs/dbraw/zinc/71/33/03/671713303.db2.gz NUFLNEDRYBOOOR-CQSZACIVSA-N 1 0 321.425 0.707 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)cc1F ZINC000841762370 671952864 /nfs/dbraw/zinc/95/28/64/671952864.db2.gz WTMJKKUCQYNANC-LBPRGKRZSA-N 1 0 310.373 0.679 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000842035410 671977720 /nfs/dbraw/zinc/97/77/20/671977720.db2.gz GOTDTTPPXTZONA-ZDUSSCGKSA-N 1 0 304.394 0.237 20 10 DCCDRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1ccc(N(C)C)cc1 ZINC000842202256 671994208 /nfs/dbraw/zinc/99/42/08/671994208.db2.gz GVTRHWMJKCZNBK-LBPRGKRZSA-N 1 0 318.421 0.927 20 10 DCCDRO C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000842202196 671994240 /nfs/dbraw/zinc/99/42/40/671994240.db2.gz FIPZOIPMHXLOAL-NSHDSACASA-N 1 0 306.410 0.783 20 10 DCCDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238643 671999378 /nfs/dbraw/zinc/99/93/78/671999378.db2.gz VIQWCJVKJHJKEB-HNNXBMFYSA-N 1 0 318.421 0.480 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C3([NH3+])CC3)cc2)CC1 ZINC000843499744 672107326 /nfs/dbraw/zinc/10/73/26/672107326.db2.gz NCSRNTXPIQCECL-UHFFFAOYSA-N 1 0 316.405 0.463 20 10 DCCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000844174928 672157174 /nfs/dbraw/zinc/15/71/74/672157174.db2.gz DUQMBGACDGPWSV-CQSZACIVSA-N 1 0 318.421 0.614 20 10 DCCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000844174927 672157314 /nfs/dbraw/zinc/15/73/14/672157314.db2.gz DUQMBGACDGPWSV-AWEZNQCLSA-N 1 0 318.421 0.614 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000846678352 672336092 /nfs/dbraw/zinc/33/60/92/672336092.db2.gz ZMCWIVRMQMSTKW-YOEHRIQHSA-N 1 0 303.406 0.947 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C(N)=O)cc1C ZINC001037067992 693910317 /nfs/dbraw/zinc/91/03/17/693910317.db2.gz HRZSLILKZCKSBF-KGLIPLIRSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2nnc[nH]2)cc1C ZINC001691549254 1158337788 /nfs/dbraw/zinc/33/77/88/1158337788.db2.gz PDRPZVVQNVFRQU-UHFFFAOYSA-N 1 0 317.393 0.912 20 10 DCCDRO CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577600969 1164736344 /nfs/dbraw/zinc/73/63/44/1164736344.db2.gz XLUXTTPYHJSUIK-ZIAGYGMSSA-N 1 0 321.425 0.706 20 10 DCCDRO CNC(=O)[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)c2ccccc2O1 ZINC001578549747 1165056588 /nfs/dbraw/zinc/05/65/88/1165056588.db2.gz ZEJWAGUCOPOKPW-SMDDNHRTSA-N 1 0 301.346 0.574 20 10 DCCDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001645733592 1172119069 /nfs/dbraw/zinc/11/90/69/1172119069.db2.gz OVBKPPUYPSDWCJ-LBPRGKRZSA-N 1 0 321.377 0.096 20 10 DCCDRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001662465643 1174212890 /nfs/dbraw/zinc/21/28/90/1174212890.db2.gz CUTICWJMVBWONW-INIZCTEOSA-N 1 0 324.446 0.926 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C(N)=O)C(C)C)cc1C ZINC001715501663 1181830341 /nfs/dbraw/zinc/83/03/41/1181830341.db2.gz AOEROIWINXHVCS-ZDUSSCGKSA-N 1 0 307.394 0.719 20 10 DCCDRO COc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000697271678 749521840 /nfs/dbraw/zinc/52/18/40/749521840.db2.gz YHEYVDSDMQHIER-AAEUAGOBSA-N 1 0 301.364 0.302 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCO)C2)cc(OC)n1 ZINC001071646266 762018521 /nfs/dbraw/zinc/01/85/21/762018521.db2.gz VCMNRGLZTXPYAS-YPMHNXCESA-N 1 0 323.393 0.674 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)NC(C)=O)cc1C ZINC001123082943 767924917 /nfs/dbraw/zinc/92/49/17/767924917.db2.gz MUKQNXNNWQPANB-GFCCVEGCSA-N 1 0 307.394 0.734 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC(=O)N2)cc1C ZINC001130037225 763098147 /nfs/dbraw/zinc/09/81/47/763098147.db2.gz IUBAUPRYQCLLKI-CQSZACIVSA-N 1 0 319.405 0.878 20 10 DCCDRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001119637037 766756942 /nfs/dbraw/zinc/75/69/42/766756942.db2.gz XTWVZIPBRISGGE-LLVKDONJSA-N 1 0 303.362 0.432 20 10 DCCDRO Oc1cc(O)c(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001144504316 766960577 /nfs/dbraw/zinc/96/05/77/766960577.db2.gz PFEGHTWPBBITLF-LBPRGKRZSA-N 1 0 323.267 0.929 20 10 DCCDRO CN(C)C(=O)CN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144508883 766963637 /nfs/dbraw/zinc/96/36/37/766963637.db2.gz BPKZSSZDUQYKTO-UHFFFAOYSA-N 1 0 309.366 0.009 20 10 DCCDRO C[N@@H+]1CCC[C@](C)(NC(=O)CN2C(=O)CSC2=S)C1 ZINC001144852586 767067187 /nfs/dbraw/zinc/06/71/87/767067187.db2.gz FFQZZIUAIQAORA-LBPRGKRZSA-N 1 0 301.437 0.447 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001236054389 769973276 /nfs/dbraw/zinc/97/32/76/769973276.db2.gz DORRLHGTVFMETN-INIZCTEOSA-N 1 0 319.405 0.470 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)cc1OC ZINC001236753460 770016779 /nfs/dbraw/zinc/01/67/79/770016779.db2.gz FRMIIJVXYDQWAT-NEPJUHHUSA-N 1 0 306.362 0.929 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)cc1OC ZINC001236749505 770017344 /nfs/dbraw/zinc/01/73/44/770017344.db2.gz JBLNASXJTSTEGQ-CVEARBPZSA-N 1 0 311.378 0.975 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCOC(=O)C3)c(F)c2)CC1 ZINC001236941798 770026040 /nfs/dbraw/zinc/02/60/40/770026040.db2.gz FQWIMUUUVHMYTJ-UHFFFAOYSA-N 1 0 307.369 0.936 20 10 DCCDRO CCC(=O)NCCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001153995081 770029884 /nfs/dbraw/zinc/02/98/84/770029884.db2.gz PXJWSUANMRVETA-UHFFFAOYSA-N 1 0 318.381 0.677 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+]CCCNC(C)=O)cc1 ZINC001154040842 770053683 /nfs/dbraw/zinc/05/36/83/770053683.db2.gz DTURNHYELGAGKR-UHFFFAOYSA-N 1 0 304.354 0.287 20 10 DCCDRO O=C(c1cc2cc(O)c(O)cc2oc1=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001155228112 770441021 /nfs/dbraw/zinc/44/10/21/770441021.db2.gz KMOQBHFBOJKUHH-SNVBAGLBSA-N 1 0 316.313 0.734 20 10 DCCDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155232641 770444330 /nfs/dbraw/zinc/44/43/30/770444330.db2.gz SQVUXCYOPPZLOW-QMMMGPOBSA-N 1 0 306.318 0.884 20 10 DCCDRO Oc1cc(O)c(CCNc2ncc3c(n2)CC[NH2+]C3)cc1O ZINC001157240321 771565769 /nfs/dbraw/zinc/56/57/69/771565769.db2.gz WCDTWYCXDIVMHW-UHFFFAOYSA-N 1 0 302.334 0.894 20 10 DCCDRO CNC(=O)NCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159355337 771900467 /nfs/dbraw/zinc/90/04/67/771900467.db2.gz CMUCAMRXPHNJGN-UHFFFAOYSA-N 1 0 322.409 0.529 20 10 DCCDRO CCOC(=O)C1=C(NC(=O)CCc2ccc(O)c(O)c2)C[NH2+]C1 ZINC001220828799 774927948 /nfs/dbraw/zinc/92/79/48/774927948.db2.gz TXIGAJMDXVLMAI-UHFFFAOYSA-N 1 0 320.345 0.567 20 10 DCCDRO C[N@@H+]1CCC2(CN(C(=O)[C@@H](O)Cc3ccc(O)c(O)c3)C2)C1 ZINC001272972343 945162039 /nfs/dbraw/zinc/16/20/39/945162039.db2.gz RTHPCPNZVZLWSF-AWEZNQCLSA-N 1 0 306.362 0.165 20 10 DCCDRO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C(N)=O)C2CC2)cc1C ZINC001267857673 939695742 /nfs/dbraw/zinc/69/57/42/939695742.db2.gz FLZCZOXRNULXOY-KRWDZBQOSA-N 1 0 319.405 0.863 20 10 DCCDRO CN1CCC12CN(C(=O)CCCN1C(=O)CSC1=S)C2 ZINC001270946765 941229334 /nfs/dbraw/zinc/22/93/34/941229334.db2.gz VMAWWWBMCNIVRH-UHFFFAOYSA-N 1 0 313.448 0.543 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)C(N)=O)C2CC2)cc1C ZINC001276647985 944245813 /nfs/dbraw/zinc/24/58/13/944245813.db2.gz DLDOQKCGYOLNAW-CYBMUJFWSA-N 1 0 305.378 0.473 20 10 DCCDRO COc1ccc(C[NH+]2CC3(C2)CCOC[C@H]3C(N)=O)c(O)c1 ZINC001277453676 944824992 /nfs/dbraw/zinc/82/49/92/944824992.db2.gz FQECYBMSMSINKM-ZDUSSCGKSA-N 1 0 306.362 0.725 20 10 DCCDRO CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+](C)C ZINC001320921808 946068921 /nfs/dbraw/zinc/06/89/21/946068921.db2.gz DKQKLRKZTURXBU-NSHDSACASA-N 1 0 310.350 0.250 20 10 DCCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001256320875 946608877 /nfs/dbraw/zinc/60/88/77/946608877.db2.gz ACJXVSPVYWSBHU-LLVKDONJSA-N 1 0 324.377 0.573 20 10 DCCDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001331957756 951409151 /nfs/dbraw/zinc/40/91/51/951409151.db2.gz BEGFIRJVAKTURY-CYBMUJFWSA-N 1 0 317.389 0.787 20 10 DCCDRO C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1C[NH3+] ZINC001332117683 951486026 /nfs/dbraw/zinc/48/60/26/951486026.db2.gz XWHPFGBGCPOYAR-FZMZJTMJSA-N 1 0 317.389 0.820 20 10 DCCDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1Cc2cccc(O)c2C1 ZINC001333423154 952052460 /nfs/dbraw/zinc/05/24/60/952052460.db2.gz ILYWJQPNXCKZLB-UHFFFAOYSA-N 1 0 301.346 0.103 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)c(O)c1OC ZINC001334201100 952259280 /nfs/dbraw/zinc/25/92/80/952259280.db2.gz QBFXKMGAUMQFBQ-LBPRGKRZSA-N 1 0 307.350 0.966 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1O)C2 ZINC001275949281 952553172 /nfs/dbraw/zinc/55/31/72/952553172.db2.gz DJVKETQVXFUYIT-OCCSQVGLSA-N 1 0 319.405 0.692 20 10 DCCDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)c(O)c1 ZINC001339771138 953118534 /nfs/dbraw/zinc/11/85/34/953118534.db2.gz FTSBICGBIXTTTG-AWEZNQCLSA-N 1 0 306.362 0.786 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340242630 953156696 /nfs/dbraw/zinc/15/66/96/953156696.db2.gz UOYPQSXKQRYBFX-QGZVFWFLSA-N 1 0 319.405 0.983 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[NH2+]CCN2C)cc1 ZINC001342060701 953267892 /nfs/dbraw/zinc/26/78/92/953267892.db2.gz RYUIGCCAJXSEMY-INIZCTEOSA-N 1 0 320.437 0.493 20 10 DCCDRO C[S@@](=O)C1(C(=O)NCCc2ccc(N)cc2)CC[NH2+]CC1 ZINC001349583934 954801966 /nfs/dbraw/zinc/80/19/66/954801966.db2.gz ADBVQAGSIVRIPV-OAQYLSRUSA-N 1 0 309.435 0.428 20 10 DCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001357385434 957264727 /nfs/dbraw/zinc/26/47/27/957264727.db2.gz VLUWHTMOGLDRKM-LRDDRELGSA-N 1 0 305.422 0.902 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1OC ZINC001308983298 960187448 /nfs/dbraw/zinc/18/74/48/960187448.db2.gz MYTKEDTYPATTBP-WCQYABFASA-N 1 0 311.378 0.832 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000279379596 396170503 /nfs/dbraw/zinc/17/05/03/396170503.db2.gz IZLDSXVVHYLOKS-INIZCTEOSA-N 1 0 319.361 0.965 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)C[NH+](C)C)CC2)cc1 ZINC000263911784 396241732 /nfs/dbraw/zinc/24/17/32/396241732.db2.gz VRMOQLUOINNLKB-UHFFFAOYSA-N 1 0 320.437 0.495 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@@H](C)O)cc2=O ZINC000291136376 396479474 /nfs/dbraw/zinc/47/94/74/396479474.db2.gz CGXVQVNXCPJUMB-SECBINFHSA-N 1 0 308.338 0.424 20 10 DCCDRO COc1cc([N+](=O)[O-])c(N2CCN(CCO)CC2)cc1OC ZINC000271021765 415265024 /nfs/dbraw/zinc/26/50/24/415265024.db2.gz JGYMRFORQIAKPP-UHFFFAOYSA-N 1 0 311.338 0.726 20 10 DCCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419705984 416404973 /nfs/dbraw/zinc/40/49/73/416404973.db2.gz JNDBBDKRMQRYQP-UHFFFAOYSA-N 1 0 314.389 0.535 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@](C)(O)C1)cc2=O ZINC000267380931 521579954 /nfs/dbraw/zinc/57/99/54/521579954.db2.gz UVWPOOKHHFVUBZ-HNNXBMFYSA-N 1 0 320.349 0.568 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1CO)cc2=O ZINC000265543313 521580488 /nfs/dbraw/zinc/58/04/88/521580488.db2.gz RSDXAMAKXNIRAK-NSHDSACASA-N 1 0 320.349 0.568 20 10 DCCDRO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(F)ccc1O ZINC000925790602 661078483 /nfs/dbraw/zinc/07/84/83/661078483.db2.gz BUFZNMPRWKKIOS-ZYHUDNBSSA-N 1 0 316.398 0.959 20 10 DCCDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(N2CCOCC2)cc1 ZINC000305219392 659225438 /nfs/dbraw/zinc/22/54/38/659225438.db2.gz KOWAJEKRLVCDRC-QGZVFWFLSA-N 1 0 307.438 0.925 20 10 DCCDRO COc1cc(C)cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1O ZINC000894044113 661429039 /nfs/dbraw/zinc/42/90/39/661429039.db2.gz SVVLIIHBEPBUAE-HNNXBMFYSA-N 1 0 324.421 0.834 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000321389133 662656402 /nfs/dbraw/zinc/65/64/02/662656402.db2.gz FZPOAMVGNNOMQW-CQSZACIVSA-N 1 0 319.405 0.722 20 10 DCCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000898359207 662951071 /nfs/dbraw/zinc/95/10/71/662951071.db2.gz NBBCSVGIKNHQCT-DGCLKSJQSA-N 1 0 324.377 0.940 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1 ZINC000903280923 663451712 /nfs/dbraw/zinc/45/17/12/663451712.db2.gz OIUFAPLYBPAOQK-WBMJQRKESA-N 1 0 310.394 0.745 20 10 DCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905482048 663558427 /nfs/dbraw/zinc/55/84/27/663558427.db2.gz RCQVZRVESQMQSZ-MRXNPFEDSA-N 1 0 321.421 0.485 20 10 DCCDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000908200379 663742406 /nfs/dbraw/zinc/74/24/06/663742406.db2.gz JJLSXLQNNIYREJ-SECBINFHSA-N 1 0 310.375 0.965 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000910999285 663965673 /nfs/dbraw/zinc/96/56/73/663965673.db2.gz JSNMHLUOVZTTNR-NWANDNLSSA-N 1 0 316.405 0.378 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911123276 663986460 /nfs/dbraw/zinc/98/64/60/663986460.db2.gz GXGFUFJAAMBVFF-IUODEOHRSA-N 1 0 318.421 0.401 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164542829 664381921 /nfs/dbraw/zinc/38/19/21/664381921.db2.gz RAKJEDWYVXCVNL-GFCCVEGCSA-N 1 0 314.407 0.833 20 10 DCCDRO O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(N2CCOCC2)cc1 ZINC000165186438 664404576 /nfs/dbraw/zinc/40/45/76/664404576.db2.gz HFJHQIBJSWNTEB-INIZCTEOSA-N 1 0 319.405 0.518 20 10 DCCDRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922154091 666270614 /nfs/dbraw/zinc/27/06/14/666270614.db2.gz RKQJADVVLDBSDS-HNNXBMFYSA-N 1 0 311.403 0.651 20 10 DCCDRO Cc1ccc(O)c(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1 ZINC000922492338 666468706 /nfs/dbraw/zinc/46/87/06/666468706.db2.gz PTOWQHNISHQHJX-UHFFFAOYSA-N 1 0 320.436 0.848 20 10 DCCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000861734039 666968993 /nfs/dbraw/zinc/96/89/93/666968993.db2.gz BPGUQPNRUPKQLD-SMDDNHRTSA-N 1 0 304.394 0.235 20 10 DCCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000862760516 667080923 /nfs/dbraw/zinc/08/09/23/667080923.db2.gz TXHLSBHBERVRIW-CQSZACIVSA-N 1 0 319.405 0.727 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000863568594 667158894 /nfs/dbraw/zinc/15/88/94/667158894.db2.gz LXFQDMGFZHFKOB-CQSZACIVSA-N 1 0 320.437 0.623 20 10 DCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000865687115 667339228 /nfs/dbraw/zinc/33/92/28/667339228.db2.gz ZUYFEUNOOLIJFO-UWVGGRQHSA-N 1 0 310.350 0.557 20 10 DCCDRO O=C1OC[C@@]2(C[NH2+]Cc3cc4c(cc3O)OCO4)COCCN12 ZINC000865768449 667344948 /nfs/dbraw/zinc/34/49/48/667344948.db2.gz JDHIUTPZBLTABB-OAHLLOKOSA-N 1 0 322.317 0.432 20 10 DCCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884520238 667559481 /nfs/dbraw/zinc/55/94/81/667559481.db2.gz PVRDNZODFPAEDJ-CMPLNLGQSA-N 1 0 322.384 0.456 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCCC(C)(C)[NH3+])cc1 ZINC000885200815 667651812 /nfs/dbraw/zinc/65/18/12/667651812.db2.gz LAZCFLBXQQJGSV-UHFFFAOYSA-N 1 0 320.437 0.955 20 10 DCCDRO COc1c(O)c(C[N@@H+]2CCC[C@@](O)(CO)C2)ccc1[N+](=O)[O-] ZINC000839152896 667732410 /nfs/dbraw/zinc/73/24/10/667732410.db2.gz CWLSPRXXKIUPPE-AWEZNQCLSA-N 1 0 312.322 0.628 20 10 DCCDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(N)cc1 ZINC000873112479 667973886 /nfs/dbraw/zinc/97/38/86/667973886.db2.gz TUKMIPSMIUUSNF-KGLIPLIRSA-N 1 0 302.378 0.902 20 10 DCCDRO COc1ccc(N2CCN(CCNC3=[NH+]CCCN3)CC2)cc1 ZINC000750543421 667981755 /nfs/dbraw/zinc/98/17/55/667981755.db2.gz XIAHJFFOAWWBEB-UHFFFAOYSA-N 1 0 317.437 0.756 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[NH2+]CCOCC(=O)[O-])cc2)CC1 ZINC000874043239 668141828 /nfs/dbraw/zinc/14/18/28/668141828.db2.gz RQCCJHZRVLKNPM-UHFFFAOYSA-N 1 0 307.394 0.629 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cn3cnnc3)CC2)cc1 ZINC000758184698 668158486 /nfs/dbraw/zinc/15/84/86/668158486.db2.gz GPDTYYZDPSYZAS-HNNXBMFYSA-N 1 0 317.393 0.470 20 10 DCCDRO OC1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)cc2)CC1 ZINC000876797334 668512411 /nfs/dbraw/zinc/51/24/11/668512411.db2.gz PSQKMHFNYSZYQC-CALCHBBNSA-N 1 0 306.406 0.575 20 10 DCCDRO COc1cc(O)c(C[NH+]2CCC(CO)(CO)CC2)cc1OC ZINC000877798231 668651408 /nfs/dbraw/zinc/65/14/08/668651408.db2.gz JNELNJYYHJPERA-UHFFFAOYSA-N 1 0 311.378 0.976 20 10 DCCDRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(O)c1O ZINC000854352536 670550990 /nfs/dbraw/zinc/55/09/90/670550990.db2.gz FOLKHLJJMHATHZ-LBPRGKRZSA-N 1 0 305.378 0.526 20 10 DCCDRO CCOc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c(O)c1 ZINC000850360621 670909927 /nfs/dbraw/zinc/90/99/27/670909927.db2.gz IDBJCIMCCPQOCK-JSGCOSHPSA-N 1 0 315.391 0.693 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000817949999 670955981 /nfs/dbraw/zinc/95/59/81/670955981.db2.gz PQTSKDRVZJULBX-AWEZNQCLSA-N 1 0 319.405 0.951 20 10 DCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1c(O)cccc1OC ZINC000858293312 670989004 /nfs/dbraw/zinc/98/90/04/670989004.db2.gz UBVRPGQRFDRNHD-UHFFFAOYSA-N 1 0 310.350 0.560 20 10 DCCDRO COCCOc1ccccc1NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000819424081 671117858 /nfs/dbraw/zinc/11/78/58/671117858.db2.gz IBXDYDBIBOLMSW-HNNXBMFYSA-N 1 0 323.437 0.732 20 10 DCCDRO COc1ccc(N2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1F ZINC000852746665 671155180 /nfs/dbraw/zinc/15/51/80/671155180.db2.gz NZKCEHTXYTVLGN-CQSZACIVSA-N 1 0 309.385 0.945 20 10 DCCDRO C[C@H](NNC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ncnn1C ZINC000852791828 671160608 /nfs/dbraw/zinc/16/06/08/671160608.db2.gz NEUKSZFURBYMCM-FZMZJTMJSA-N 1 0 303.414 0.736 20 10 DCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469518 671528791 /nfs/dbraw/zinc/52/87/91/671528791.db2.gz ZYIHXZDVDLFACG-WCQYABFASA-N 1 0 304.394 0.352 20 10 DCCDRO OCC1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827482245 671529352 /nfs/dbraw/zinc/52/93/52/671529352.db2.gz UFWYZFCFFGURPW-UHFFFAOYSA-N 1 0 306.406 0.700 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000828145124 671545434 /nfs/dbraw/zinc/54/54/34/671545434.db2.gz ZBNRKYHXSOMVHM-AWEZNQCLSA-N 1 0 319.405 0.999 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)COCC[NH3+])C2)cc1 ZINC000831748634 671683675 /nfs/dbraw/zinc/68/36/75/671683675.db2.gz IKOLWWPXHCFMFX-CYBMUJFWSA-N 1 0 307.394 0.613 20 10 DCCDRO Nc1ccc(CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000832526417 671722964 /nfs/dbraw/zinc/72/29/64/671722964.db2.gz DXSKYMGQPSLUGT-CYBMUJFWSA-N 1 0 304.394 0.125 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)N1CCN(C)CC1 ZINC000840933149 671906863 /nfs/dbraw/zinc/90/68/63/671906863.db2.gz MFCGEUARNQJTMA-UHFFFAOYSA-N 1 0 304.438 0.925 20 10 DCCDRO [NH3+]CCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841713347 671951342 /nfs/dbraw/zinc/95/13/42/671951342.db2.gz ZMEVDOONGWUTCT-UHFFFAOYSA-N 1 0 310.373 0.810 20 10 DCCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841830972 671958373 /nfs/dbraw/zinc/95/83/73/671958373.db2.gz QBIADZVNQPWRJE-HNNXBMFYSA-N 1 0 306.410 0.831 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000842035019 671977611 /nfs/dbraw/zinc/97/76/11/671977611.db2.gz BGXKUTOQOFBISC-OLZOCXBDSA-N 1 0 318.421 0.578 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000842035417 671977626 /nfs/dbraw/zinc/97/76/26/671977626.db2.gz GTKZXFFFVXDZBI-AWEZNQCLSA-N 1 0 318.421 0.566 20 10 DCCDRO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036665 671978198 /nfs/dbraw/zinc/97/81/98/671978198.db2.gz QLDFPCCYRQHDTO-UHFFFAOYSA-N 1 0 320.437 0.873 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000842151792 671986191 /nfs/dbraw/zinc/98/61/91/671986191.db2.gz CTWIQYKIMXHTMN-CYBMUJFWSA-N 1 0 318.421 0.498 20 10 DCCDRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842171509 671988520 /nfs/dbraw/zinc/98/85/20/671988520.db2.gz TWESMQOPZPLNKG-CQSZACIVSA-N 1 0 314.389 0.239 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842203365 671994215 /nfs/dbraw/zinc/99/42/15/671994215.db2.gz RYAHBTITAIUVFH-GFCCVEGCSA-N 1 0 306.410 0.656 20 10 DCCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203323 671994233 /nfs/dbraw/zinc/99/42/33/671994233.db2.gz QZIOJEJYVMNPGV-JSGCOSHPSA-N 1 0 318.421 0.750 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC2C[NH2+]C2)cc1F ZINC000842210111 671995257 /nfs/dbraw/zinc/99/52/57/671995257.db2.gz VDYOGBNRAJESMI-UHFFFAOYSA-N 1 0 322.384 0.376 20 10 DCCDRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842214441 671995915 /nfs/dbraw/zinc/99/59/15/671995915.db2.gz SDVKFZFGNBDMQS-CQSZACIVSA-N 1 0 316.405 0.463 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000842230061 671997735 /nfs/dbraw/zinc/99/77/35/671997735.db2.gz QFABNUNHVIANSF-ZDUSSCGKSA-N 1 0 320.437 0.953 20 10 DCCDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238644 671999218 /nfs/dbraw/zinc/99/92/18/671999218.db2.gz VIQWCJVKJHJKEB-OAHLLOKOSA-N 1 0 318.421 0.480 20 10 DCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843065022 672057720 /nfs/dbraw/zinc/05/77/20/672057720.db2.gz IBOZYYRHBVRJTF-QGZVFWFLSA-N 1 0 308.422 0.992 20 10 DCCDRO CCN1C[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1=O ZINC000843296426 672079982 /nfs/dbraw/zinc/07/99/82/672079982.db2.gz CSKBOQLGQXKUGJ-ZFWWWQNUSA-N 1 0 318.421 0.737 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(OC)c1 ZINC001141026577 1159064841 /nfs/dbraw/zinc/06/48/41/1159064841.db2.gz VOOBXYUNDGSOKU-LBPRGKRZSA-N 1 0 308.378 0.926 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cn2ncnn2)cc1C ZINC001569058435 1160929794 /nfs/dbraw/zinc/92/97/94/1160929794.db2.gz DNTYMFUMHGRWJS-LBPRGKRZSA-N 1 0 318.381 0.285 20 10 DCCDRO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])C(=O)NCCF ZINC001603652139 1169342069 /nfs/dbraw/zinc/34/20/69/1169342069.db2.gz XDHGBXFABDLDSB-IUCAKERBSA-N 1 0 322.344 0.697 20 10 DCCDRO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603664435 1169345978 /nfs/dbraw/zinc/34/59/78/1169345978.db2.gz MOLIFJWIONGIKQ-LLVKDONJSA-N 1 0 320.397 0.801 20 10 DCCDRO COc1ccc(C[NH2+]CCCn2cc(CO)nn2)c(O)c1OC ZINC001621364810 1171409003 /nfs/dbraw/zinc/40/90/03/1171409003.db2.gz WNGFKXIIHCEFSF-UHFFFAOYSA-N 1 0 322.365 0.673 20 10 DCCDRO COc1ccc(C[NH2+]CCOCCN(C)C(=O)C(N)=O)cc1C ZINC001701038611 1178894218 /nfs/dbraw/zinc/89/42/18/1178894218.db2.gz NHAGZANUYJHPIQ-UHFFFAOYSA-N 1 0 323.393 0.054 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001715948140 1182115330 /nfs/dbraw/zinc/11/53/30/1182115330.db2.gz DHTIQXJFGIDMCP-BNOWGMLFSA-N 1 0 319.405 0.719 20 10 DCCDRO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001715965228 1182121096 /nfs/dbraw/zinc/12/10/96/1182121096.db2.gz QDEBICYRPNSXPW-SECBINFHSA-N 1 0 320.353 0.303 20 10 DCCDRO COCCN(C(=O)c1cc(O)c(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001148583862 768020271 /nfs/dbraw/zinc/02/02/71/768020271.db2.gz DVBRRIDAUURZQL-UHFFFAOYSA-N 1 0 324.377 0.986 20 10 DCCDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O)cc(OC)n1 ZINC001134871890 765719437 /nfs/dbraw/zinc/71/94/37/765719437.db2.gz GTKXZUHNFRXYEL-VHSXEESVSA-N 1 0 324.381 0.071 20 10 DCCDRO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H](O)C[NH3+] ZINC001117954538 766175812 /nfs/dbraw/zinc/17/58/12/766175812.db2.gz BUVRVFMQZCFNDU-CQSZACIVSA-N 1 0 310.417 0.329 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001117979903 766184569 /nfs/dbraw/zinc/18/45/69/766184569.db2.gz AYWIJOYFSWQUAE-QWHCGFSZSA-N 1 0 305.378 0.737 20 10 DCCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001119384293 766656004 /nfs/dbraw/zinc/65/60/04/766656004.db2.gz ZIVGSLQMVGGQAH-UHFFFAOYSA-N 1 0 318.421 0.614 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CCC2)[NH+](C)C)cc1 ZINC001119887966 766853067 /nfs/dbraw/zinc/85/30/67/766853067.db2.gz JOXPCKULHICAQZ-OAHLLOKOSA-N 1 0 318.421 0.704 20 10 DCCDRO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515496 766964878 /nfs/dbraw/zinc/96/48/78/766964878.db2.gz QIHPMINOMWHWSA-SNVBAGLBSA-N 1 0 301.364 0.812 20 10 DCCDRO Nc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC001120676901 767133695 /nfs/dbraw/zinc/13/36/95/767133695.db2.gz FZVIIFOHQNPQAM-OAHLLOKOSA-N 1 0 306.410 0.915 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2ncnn2)[NH+](C)C)cc1 ZINC001121265166 767486824 /nfs/dbraw/zinc/48/68/24/767486824.db2.gz URZNAOXNGIIYLF-AWEZNQCLSA-N 1 0 317.397 0.158 20 10 DCCDRO O=C1CC[C@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)CCN12 ZINC001172144910 769435095 /nfs/dbraw/zinc/43/50/95/769435095.db2.gz BUDFPKYYUNPRKF-XUJVJEKNSA-N 1 0 306.362 0.874 20 10 DCCDRO COC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001172731937 769498301 /nfs/dbraw/zinc/49/83/01/769498301.db2.gz LHVMIYJCVCUUQS-CQSZACIVSA-N 1 0 310.350 0.952 20 10 DCCDRO COc1cc(O)c(CN2CCN[C@]3(CC[NH2+]C3)C2)cc1OC ZINC001235063592 769755458 /nfs/dbraw/zinc/75/54/58/769755458.db2.gz UDFIZHTYMFPQRZ-INIZCTEOSA-N 1 0 307.394 0.547 20 10 DCCDRO COC(=O)Cc1ccc(CN2C[C@H]([NH3+])C[C@H]2C(=O)OC)c(O)c1 ZINC001236202336 769984384 /nfs/dbraw/zinc/98/43/84/769984384.db2.gz QWLUSBPKBPBYRL-OLZOCXBDSA-N 1 0 322.361 0.182 20 10 DCCDRO COc1cc(C[N@H+](C)C[C@H](O)CO)c(O)cc1Br ZINC001236745351 770018520 /nfs/dbraw/zinc/01/85/20/770018520.db2.gz CYQLLPCNMPFTNK-VIFPVBQESA-N 1 0 320.183 0.948 20 10 DCCDRO C[NH+]1CC2(CN(C(=O)c3cc4cc(O)c(O)cc4oc3=O)C2)C1 ZINC001155228379 770440917 /nfs/dbraw/zinc/44/09/17/770440917.db2.gz NGLRAWRXBQDJGB-UHFFFAOYSA-N 1 0 316.313 0.592 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CNC(C)=O)C2)cc1C ZINC001180722403 771172194 /nfs/dbraw/zinc/17/21/94/771172194.db2.gz BWSJWKVZGGEQSJ-OAHLLOKOSA-N 1 0 319.405 0.830 20 10 DCCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017950 771397804 /nfs/dbraw/zinc/39/78/04/771397804.db2.gz QNYJWVVOGXRVDX-LBPRGKRZSA-N 1 0 306.362 0.804 20 10 DCCDRO [NH3+]CCN(CCO)c1cc2c(cc1Br)CNC2=O ZINC001163839883 772581175 /nfs/dbraw/zinc/58/11/75/772581175.db2.gz SCYXZXRFTHRCAM-UHFFFAOYSA-N 1 0 314.183 0.450 20 10 DCCDRO O=C1COCCN1C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882000 772928188 /nfs/dbraw/zinc/92/81/88/772928188.db2.gz ZBFOLFQGZNMGRV-UHFFFAOYSA-N 1 0 306.362 0.921 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1O ZINC001206086607 773046532 /nfs/dbraw/zinc/04/65/32/773046532.db2.gz IFUGYTDCWKLTTP-HZPDHXFCSA-N 1 0 317.433 0.985 20 10 DCCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC001219714839 774588586 /nfs/dbraw/zinc/58/85/86/774588586.db2.gz ZWDUOLCZVRUMEB-GDBMZVCRSA-N 1 0 315.373 0.862 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)CNC(C)=O)cc1C ZINC001266627095 939183299 /nfs/dbraw/zinc/18/32/99/939183299.db2.gz KDDJCOIANYJFJL-UHFFFAOYSA-N 1 0 307.394 0.688 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]n2)cc1C ZINC001268313077 940051995 /nfs/dbraw/zinc/05/19/95/940051995.db2.gz BSOWNENUWMPXLY-LBPRGKRZSA-N 1 0 319.365 0.002 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2CN(Cc3c(O)cccc3F)C[C@@H](C1)O2 ZINC001276358793 942100254 /nfs/dbraw/zinc/10/02/54/942100254.db2.gz AZXCNRIYVMWMCL-OKILXGFUSA-N 1 0 323.412 0.978 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001276516782 944196220 /nfs/dbraw/zinc/19/62/20/944196220.db2.gz PVBYJESENXPSEG-BETUJISGSA-N 1 0 307.394 0.624 20 10 DCCDRO Cn1cnc([C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]2C(N)=O)c1 ZINC001277442226 944818713 /nfs/dbraw/zinc/81/87/13/944818713.db2.gz UGXDLSGOYQMKCR-CHWSQXEVSA-N 1 0 300.362 0.827 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2nnn(C)n2)cc1C ZINC001317261669 944886842 /nfs/dbraw/zinc/88/68/42/944886842.db2.gz MJAIQDPZZRRFGD-LLVKDONJSA-N 1 0 318.381 0.435 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001249177566 945621165 /nfs/dbraw/zinc/62/11/65/945621165.db2.gz DNJNGGJYZLYHCK-NVXWUHKLSA-N 1 0 323.389 0.673 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c(O)c1 ZINC001249178407 945624378 /nfs/dbraw/zinc/62/43/78/945624378.db2.gz QSNHCBIRGSCYNH-QGZVFWFLSA-N 1 0 318.373 0.820 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(F)F)cc1C ZINC001320188966 945763142 /nfs/dbraw/zinc/76/31/42/945763142.db2.gz OPQBTUSCYVYNOZ-LLVKDONJSA-N 1 0 302.321 0.835 20 10 DCCDRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC001322695268 946770204 /nfs/dbraw/zinc/77/02/04/946770204.db2.gz QTTXRHDQXKOGLG-TZMCWYRMSA-N 1 0 319.405 0.950 20 10 DCCDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001261857516 947460405 /nfs/dbraw/zinc/46/04/05/947460405.db2.gz NPWBEARAEQYWQC-UHFFFAOYSA-N 1 0 317.389 0.789 20 10 DCCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N)cc1 ZINC001262571426 947729525 /nfs/dbraw/zinc/72/95/25/947729525.db2.gz UMNQFJBAUVFXAW-CYBMUJFWSA-N 1 0 305.426 0.704 20 10 DCCDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001325717132 947894631 /nfs/dbraw/zinc/89/46/31/947894631.db2.gz MDWOLFVIHIGCTB-CYBMUJFWSA-N 1 0 305.378 0.561 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001325745862 947909632 /nfs/dbraw/zinc/90/96/32/947909632.db2.gz NJJAXMQRHSYXHJ-AWEZNQCLSA-N 1 0 319.405 0.984 20 10 DCCDRO CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001273842560 948458938 /nfs/dbraw/zinc/45/89/38/948458938.db2.gz DIZALPVAGULPKP-MRXNPFEDSA-N 1 0 322.361 0.484 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCNC3=O)cc2F)CC1 ZINC001327952080 948674667 /nfs/dbraw/zinc/67/46/67/948674667.db2.gz LPSXOVMIIBIVEB-HNNXBMFYSA-N 1 0 320.412 0.946 20 10 DCCDRO CN(C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccc(N)cc1 ZINC001330609101 950543868 /nfs/dbraw/zinc/54/38/68/950543868.db2.gz XTHUWXYMRMNBAE-UHFFFAOYSA-N 1 0 311.407 0.398 20 10 DCCDRO C[C@H](C[NH2+]C[C@H](C)O)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001275046454 951940560 /nfs/dbraw/zinc/94/05/60/951940560.db2.gz TYNHGCVFXCHUSJ-ZJUUUORDSA-N 1 0 307.354 0.938 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC001333491285 952080443 /nfs/dbraw/zinc/08/04/43/952080443.db2.gz NGEWMSDTEFKXLS-YOEHRIQHSA-N 1 0 303.406 0.778 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2CN(Cc3cc(F)ccc3O)C[C@@H](C1)O2 ZINC001275912890 952518987 /nfs/dbraw/zinc/51/89/87/952518987.db2.gz GTQWENRMGJUBPV-IYBDPMFKSA-N 1 0 323.412 0.978 20 10 DCCDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336137133 952648587 /nfs/dbraw/zinc/64/85/87/952648587.db2.gz YLEYXJOUFKPJSY-SJCJKPOMSA-N 1 0 315.373 0.574 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001336677739 952751009 /nfs/dbraw/zinc/75/10/09/952751009.db2.gz SYKJWNCNLZRMDO-ZDUSSCGKSA-N 1 0 305.378 0.465 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(C(=O)[O-])ccc1O ZINC001276055480 952879762 /nfs/dbraw/zinc/87/97/62/952879762.db2.gz JJPFQHYHWPBRRF-GASCZTMLSA-N 1 0 319.405 0.911 20 10 DCCDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001345185864 953610847 /nfs/dbraw/zinc/61/08/47/953610847.db2.gz MZUGDZKRNWNXRP-STQMWFEESA-N 1 0 320.437 0.902 20 10 DCCDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001351982838 955479294 /nfs/dbraw/zinc/47/92/94/955479294.db2.gz LJCQQMNGYNDVSZ-WDEREUQCSA-N 1 0 303.362 0.443 20 10 DCCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC001352924485 955831102 /nfs/dbraw/zinc/83/11/02/955831102.db2.gz GGLSWUOVEFVRQL-WDEREUQCSA-N 1 0 312.391 0.346 20 10 DCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001357385438 957264596 /nfs/dbraw/zinc/26/45/96/957264596.db2.gz VLUWHTMOGLDRKM-WBMJQRKESA-N 1 0 305.422 0.902 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(O)c1 ZINC001561030825 1012458465 /nfs/dbraw/zinc/45/84/65/1012458465.db2.gz WZSHVZKJLFFRLK-LLVKDONJSA-N 1 0 314.407 0.820 20 10 DCCDRO C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1C[N@H+](C)CCN1C ZINC001544139605 1012534587 /nfs/dbraw/zinc/53/45/87/1012534587.db2.gz SMZSYZBQRLQSIM-DGCLKSJQSA-N 1 0 307.394 0.391 20 10 DCCDRO OCc1cn(CCC[NH2+]Cc2cc3c(cc2O)OCO3)nn1 ZINC000289441146 131386376 /nfs/dbraw/zinc/38/63/76/131386376.db2.gz ASDNQFUMQMUIPG-UHFFFAOYSA-N 1 0 306.322 0.385 20 10 DCCDRO COc1cccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1O ZINC000093583800 395739198 /nfs/dbraw/zinc/73/91/98/395739198.db2.gz SBAYYLKPVMQHBA-CQSZACIVSA-N 1 0 310.394 0.526 20 10 DCCDRO CC1CC[NH+](CCCNC=C2C(=O)NC(=S)NC2=O)CC1 ZINC000052536897 395865013 /nfs/dbraw/zinc/86/50/13/395865013.db2.gz JIHMLSHWZFWNBL-UHFFFAOYSA-N 1 0 310.423 0.113 20 10 DCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)O)CC2)cc1 ZINC000136172072 395945233 /nfs/dbraw/zinc/94/52/33/395945233.db2.gz HVFHFWDJWMAICD-CQSZACIVSA-N 1 0 321.421 0.704 20 10 DCCDRO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1O ZINC000264620640 396296692 /nfs/dbraw/zinc/29/66/92/396296692.db2.gz QXKQHMAVRFPQOI-TZMCWYRMSA-N 1 0 319.405 0.936 20 10 DCCDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000193040537 396442222 /nfs/dbraw/zinc/44/22/22/396442222.db2.gz GZNRTYFZLMWYEL-ZDUSSCGKSA-N 1 0 319.405 0.950 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296372172 415924250 /nfs/dbraw/zinc/92/42/50/415924250.db2.gz ITXQVDGHUDYRBW-LBPRGKRZSA-N 1 0 313.423 0.802 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@@H](C)CO)cc2=O ZINC000293415202 415858846 /nfs/dbraw/zinc/85/88/46/415858846.db2.gz MSYFYTLKTVVIBM-JTQLQIEISA-N 1 0 322.365 0.814 20 10 DCCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000529665713 417485474 /nfs/dbraw/zinc/48/54/74/417485474.db2.gz QBIDDHCWNQFPDO-UHFFFAOYSA-N 1 0 305.378 0.563 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCO)C2)cc(OC)n1 ZINC000981199420 661099333 /nfs/dbraw/zinc/09/93/33/661099333.db2.gz PWDBSXJSXJCKEI-QWHCGFSZSA-N 1 0 323.393 0.722 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCNC2=O)[NH+](C)C)cc1 ZINC000891247737 658079452 /nfs/dbraw/zinc/07/94/52/658079452.db2.gz JYENGQKCHVIOPB-LSDHHAIUSA-N 1 0 318.421 0.608 20 10 DCCDRO COc1ccc(N2CCN(C(=O)N[C@H](C)C[NH3+])CC2)c(OC)c1 ZINC000892062263 658151008 /nfs/dbraw/zinc/15/10/08/658151008.db2.gz PQWAKOMWOSRQEL-GFCCVEGCSA-N 1 0 322.409 0.883 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891414283 658716711 /nfs/dbraw/zinc/71/67/11/658716711.db2.gz HBPJUOURYPZDSL-HOCLYGCPSA-N 1 0 316.405 0.779 20 10 DCCDRO CCS(=O)(=O)NCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894207602 661658672 /nfs/dbraw/zinc/65/86/72/661658672.db2.gz ZEWPEFVKSQKTBZ-UHFFFAOYSA-N 1 0 302.396 0.738 20 10 DCCDRO COc1cc(C)cc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1O ZINC000894532625 661979276 /nfs/dbraw/zinc/97/92/76/661979276.db2.gz IRQZUPIZESDRDB-UHFFFAOYSA-N 1 0 314.407 0.962 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000894594088 661987865 /nfs/dbraw/zinc/98/78/65/661987865.db2.gz DFZTUCQWAAVCJH-MRXNPFEDSA-N 1 0 319.361 0.883 20 10 DCCDRO COc1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c(O)c1OC ZINC000895102044 662092605 /nfs/dbraw/zinc/09/26/05/662092605.db2.gz SEUZAZDZBYRRHM-CYBMUJFWSA-N 1 0 308.378 0.660 20 10 DCCDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895323421 662168965 /nfs/dbraw/zinc/16/89/65/662168965.db2.gz CLWWBHLBAOMGSB-ROUUACIJSA-N 1 0 320.433 0.965 20 10 DCCDRO CNC(=O)CN1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000126983647 662192645 /nfs/dbraw/zinc/19/26/45/662192645.db2.gz LHRDLCJZXDXWJI-UHFFFAOYSA-N 1 0 303.406 0.922 20 10 DCCDRO COc1ccc(O)c(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000896363577 662264634 /nfs/dbraw/zinc/26/46/34/662264634.db2.gz ZCELZRWHVHOWHP-ZDUSSCGKSA-N 1 0 306.362 0.738 20 10 DCCDRO COc1cc(C)cc(C[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC000896457424 662272734 /nfs/dbraw/zinc/27/27/34/662272734.db2.gz JFERQAKZTWAWSQ-INIZCTEOSA-N 1 0 310.394 0.492 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(CO)COCCN1C ZINC000896463062 662273628 /nfs/dbraw/zinc/27/36/28/662273628.db2.gz YLKQYVZIULJNSW-QGZVFWFLSA-N 1 0 307.438 0.844 20 10 DCCDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1O ZINC000897609146 662912760 /nfs/dbraw/zinc/91/27/60/662912760.db2.gz DLPYXQDJAVSYDG-PWSUYJOCSA-N 1 0 314.407 0.757 20 10 DCCDRO COc1ccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c(O)c1 ZINC000897629777 662916903 /nfs/dbraw/zinc/91/69/03/662916903.db2.gz SDCRHOYCVLHTML-ZDUSSCGKSA-N 1 0 306.362 0.738 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907274976 663680110 /nfs/dbraw/zinc/68/01/10/663680110.db2.gz SVPWRAHEFMZJOO-PXAZEXFGSA-N 1 0 322.405 0.992 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907274979 663680127 /nfs/dbraw/zinc/68/01/27/663680127.db2.gz SVPWRAHEFMZJOO-YVEFUNNKSA-N 1 0 322.405 0.992 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000911225977 664011408 /nfs/dbraw/zinc/01/14/08/664011408.db2.gz MFQPFJACHDSOMI-LALPHHSUSA-N 1 0 318.421 0.654 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911369951 664044537 /nfs/dbraw/zinc/04/45/37/664044537.db2.gz IRSDBQDVKSQSBA-TZMCWYRMSA-N 1 0 319.405 0.855 20 10 DCCDRO C[C@H](CC(N)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918852060 665186619 /nfs/dbraw/zinc/18/66/19/665186619.db2.gz GTLRTYZTRGGQDY-CYBMUJFWSA-N 1 0 318.421 0.566 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)C(N)=O)CC2(C)C)cc1C ZINC000996224185 666751664 /nfs/dbraw/zinc/75/16/64/666751664.db2.gz AIPGVXVUIBFKRH-AWEZNQCLSA-N 1 0 319.405 0.816 20 10 DCCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3COCC[NH2+]3)ccc21 ZINC000861567545 666945332 /nfs/dbraw/zinc/94/53/32/666945332.db2.gz HLRNYXGRGHNKLM-OAHLLOKOSA-N 1 0 318.421 0.857 20 10 DCCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000863298574 667125700 /nfs/dbraw/zinc/12/57/00/667125700.db2.gz ZVCYJFMDCRYZOJ-CJNGLKHVSA-N 1 0 323.345 0.582 20 10 DCCDRO Cn1nnc2c1C[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)CC2 ZINC000922994423 667456171 /nfs/dbraw/zinc/45/61/71/667456171.db2.gz UJJGEXADLQUTEH-SNVBAGLBSA-N 1 0 302.334 0.897 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H](C[NH3+])OC)CC2)c(OC)c1 ZINC000884466659 667549992 /nfs/dbraw/zinc/54/99/92/667549992.db2.gz DUKLELUKAYIFLI-HNNXBMFYSA-N 1 0 323.393 0.326 20 10 DCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3CCC3)CC2)cc1 ZINC000754043174 668040317 /nfs/dbraw/zinc/04/03/17/668040317.db2.gz ILPZRSMDXXPDOA-MRXNPFEDSA-N 1 0 305.422 0.884 20 10 DCCDRO OCC[NH+]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876509524 668457943 /nfs/dbraw/zinc/45/79/43/668457943.db2.gz IBBNBKCKGPGFSG-UHFFFAOYSA-N 1 0 319.449 0.758 20 10 DCCDRO COc1cncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000876506234 668458150 /nfs/dbraw/zinc/45/81/50/668458150.db2.gz HPUJHKDBBVBTMF-CYBMUJFWSA-N 1 0 315.377 0.981 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)cc1 ZINC000876733143 668498604 /nfs/dbraw/zinc/49/86/04/668498604.db2.gz POPKCDDTUWGOKW-JKSUJKDBSA-N 1 0 319.405 0.850 20 10 DCCDRO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876816916 668515626 /nfs/dbraw/zinc/51/56/26/668515626.db2.gz TXYQPPNVQDSGRO-CQSZACIVSA-N 1 0 318.421 0.890 20 10 DCCDRO CCOCC[NH+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768446434 668608808 /nfs/dbraw/zinc/60/88/08/668608808.db2.gz KEJBXJQIKIZLLK-MRXNPFEDSA-N 1 0 322.405 0.972 20 10 DCCDRO CN1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](CO)C1 ZINC000877643572 668635415 /nfs/dbraw/zinc/63/54/15/668635415.db2.gz GSRUFJHTWQLOIM-KRWDZBQOSA-N 1 0 319.449 0.756 20 10 DCCDRO C[C@@H]1C(=O)NCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775666510 668866329 /nfs/dbraw/zinc/86/63/29/668866329.db2.gz ZODBRQINMCHDEX-CQSZACIVSA-N 1 0 302.422 0.759 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000775697114 668866525 /nfs/dbraw/zinc/86/65/25/668866525.db2.gz UQEQRRSDOQYMAQ-NSHDSACASA-N 1 0 300.380 0.654 20 10 DCCDRO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000775833581 668868504 /nfs/dbraw/zinc/86/85/04/668868504.db2.gz DZCKBPPAFYAAFX-GFCCVEGCSA-N 1 0 304.394 0.362 20 10 DCCDRO Cc1nn[nH]c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853657 669399359 /nfs/dbraw/zinc/39/93/59/669399359.db2.gz FOINPXYRDAYZLA-UHFFFAOYSA-N 1 0 314.393 0.795 20 10 DCCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O ZINC000799106284 670040441 /nfs/dbraw/zinc/04/04/41/670040441.db2.gz ASBMZCSAMWQTMH-HNNXBMFYSA-N 1 0 317.389 0.760 20 10 DCCDRO O=C1N[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@@H]2CO1 ZINC000799145003 670045197 /nfs/dbraw/zinc/04/51/97/670045197.db2.gz SGLFXVSFAUIAQE-SCDSUCTJSA-N 1 0 320.345 0.748 20 10 DCCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)C(C)=O)CC1=O ZINC000808543254 670414403 /nfs/dbraw/zinc/41/44/03/670414403.db2.gz DAWSLDTXUUEZFT-CHWSQXEVSA-N 1 0 324.377 0.021 20 10 DCCDRO CN(C)C(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000848995306 670747023 /nfs/dbraw/zinc/74/70/23/670747023.db2.gz DMHOTMXLKIANGB-ZDUSSCGKSA-N 1 0 303.410 0.974 20 10 DCCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850360431 670909990 /nfs/dbraw/zinc/90/99/90/670909990.db2.gz FMIRJGBVZNPGBC-RNCFNFMXSA-N 1 0 315.347 0.023 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC000818226061 670991950 /nfs/dbraw/zinc/99/19/50/670991950.db2.gz YFFGPMDDQJLJSN-CVEARBPZSA-N 1 0 316.405 0.319 20 10 DCCDRO COc1ccc(N2CCCN(c3nc(N)[nH+]c(N)n3)CC2)cc1 ZINC000858357550 670996616 /nfs/dbraw/zinc/99/66/16/670996616.db2.gz SJIVZJPAXBEJLC-UHFFFAOYSA-N 1 0 315.381 0.761 20 10 DCCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CNCCO1 ZINC000852746281 671155454 /nfs/dbraw/zinc/15/54/54/671155454.db2.gz LAQVEMQTPTYEDB-QGZVFWFLSA-N 1 0 305.422 0.943 20 10 DCCDRO [NH3+]CCOCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869007 671180158 /nfs/dbraw/zinc/18/01/58/671180158.db2.gz SNIPECCOZIJSHG-UHFFFAOYSA-N 1 0 307.394 0.239 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc[n+]([O-])cc2)cc1 ZINC000832293308 671713526 /nfs/dbraw/zinc/71/35/26/671713526.db2.gz UOIQTSHKXAMBRP-HNNXBMFYSA-N 1 0 300.362 0.816 20 10 DCCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000840956711 671907827 /nfs/dbraw/zinc/90/78/27/671907827.db2.gz CRBBUFZCORCFGT-CYBMUJFWSA-N 1 0 308.378 0.937 20 10 DCCDRO [NH3+][C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841712060 671951431 /nfs/dbraw/zinc/95/14/31/671951431.db2.gz KUOLQCTUVOUCLH-CYBMUJFWSA-N 1 0 322.384 0.905 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000842036369 671978207 /nfs/dbraw/zinc/97/82/07/671978207.db2.gz PZSHJFSZZLODIC-UHFFFAOYSA-N 1 0 318.421 0.627 20 10 DCCDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842036551 671978232 /nfs/dbraw/zinc/97/82/32/671978232.db2.gz NWCQREXLARPSBS-CQSZACIVSA-N 1 0 318.421 0.437 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842154349 671986900 /nfs/dbraw/zinc/98/69/00/671986900.db2.gz SRHZPLMIRKACCG-UHFFFAOYSA-N 1 0 306.410 0.403 20 10 DCCDRO CCCC[N@H+](C)CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842161634 671987698 /nfs/dbraw/zinc/98/76/98/671987698.db2.gz PHIDGOMZNAKSOM-UHFFFAOYSA-N 1 0 320.437 0.776 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000842202711 671994151 /nfs/dbraw/zinc/99/41/51/671994151.db2.gz KRUNGGXAZMTJCP-IAQYHMDHSA-N 1 0 318.421 0.783 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1ccc(N(C)C)cc1 ZINC000842202255 671994224 /nfs/dbraw/zinc/99/42/24/671994224.db2.gz GVTRHWMJKCZNBK-GFCCVEGCSA-N 1 0 318.421 0.927 20 10 DCCDRO CCN(CC)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842787066 672037324 /nfs/dbraw/zinc/03/73/24/672037324.db2.gz ZKVRQSLDEDZJOV-CQSZACIVSA-N 1 0 314.455 0.929 20 10 DCCDRO COc1c(O)c(CN2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000843122785 672065109 /nfs/dbraw/zinc/06/51/09/672065109.db2.gz UWZZODGENZCSEN-NSHDSACASA-N 1 0 310.354 0.384 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](O)C2CCOCC2)cc1 ZINC000843298136 672079858 /nfs/dbraw/zinc/07/98/58/672079858.db2.gz MPXSTHAITPXKCZ-HOTGVXAUSA-N 1 0 321.421 0.656 20 10 DCCDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC001576021155 1164212640 /nfs/dbraw/zinc/21/26/40/1164212640.db2.gz AWLBGUGMSXAOHN-CYBMUJFWSA-N 1 0 305.426 0.704 20 10 DCCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001576610777 1164412727 /nfs/dbraw/zinc/41/27/27/1164412727.db2.gz FXXAJJUZTITYLE-RKDXNWHRSA-N 1 0 313.379 0.325 20 10 DCCDRO C[NH2+]C[C@@H](O)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001578647363 1165077068 /nfs/dbraw/zinc/07/70/68/1165077068.db2.gz OPMCUHIPNNGNQQ-OAHLLOKOSA-N 1 0 320.437 0.791 20 10 DCCDRO C[NH+](C)CCn1nccc1C(=O)NCc1c(O)cccc1O ZINC001652626194 1173773678 /nfs/dbraw/zinc/77/36/78/1173773678.db2.gz RISQUVZYDXWLTG-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO COc1cc(C)c(C[N@H+](C)C[C@H](O)CN2CCOCC2)c(O)c1 ZINC001657405251 1173912531 /nfs/dbraw/zinc/91/25/31/1173912531.db2.gz PZMSOPYFJLUOGU-AWEZNQCLSA-N 1 0 324.421 0.834 20 10 DCCDRO OC[C@]1(C[NH2+]Cc2cc(F)ccc2O)COC[C@@H]2CCCN21 ZINC001659115143 1173930356 /nfs/dbraw/zinc/93/03/56/1173930356.db2.gz YQFIWSKQYOPKSB-GOEBONIOSA-N 1 0 310.369 0.847 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001716000061 1182138322 /nfs/dbraw/zinc/13/83/22/1182138322.db2.gz GBTFOCGHCVEKDX-JSGCOSHPSA-N 1 0 319.405 0.877 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)OC)cc1C ZINC001725691398 1184944554 /nfs/dbraw/zinc/94/45/54/1184944554.db2.gz ZZSOPKPGUSYTIH-DZGCQCFKSA-N 1 0 324.421 0.947 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCO)C2)cc(OC)n1 ZINC001071646265 762018449 /nfs/dbraw/zinc/01/84/49/762018449.db2.gz VCMNRGLZTXPYAS-WCQYABFASA-N 1 0 323.393 0.674 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C(N)=O)cc1C ZINC001045177211 753076371 /nfs/dbraw/zinc/07/63/71/753076371.db2.gz VKKNUGMKKVNNJL-ZDUSSCGKSA-N 1 0 305.378 0.570 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001047956747 754554257 /nfs/dbraw/zinc/55/42/57/754554257.db2.gz ZYFZZQNQNNUMFP-JSGCOSHPSA-N 1 0 319.405 0.816 20 10 DCCDRO CCOC(=O)C1(NC(=O)c2cccc(O)c2O)CC[NH+](C)CC1 ZINC001148219890 767940627 /nfs/dbraw/zinc/94/06/27/767940627.db2.gz DLXWMFDHCGECFM-UHFFFAOYSA-N 1 0 322.361 0.855 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2C)cc1C ZINC001132528086 764499078 /nfs/dbraw/zinc/49/90/78/764499078.db2.gz CDMCXYJIKIEGMX-AWEZNQCLSA-N 1 0 319.405 0.830 20 10 DCCDRO CN1CCN(c2ccc(CN(CC[NH3+])CCO)cc2F)CC1 ZINC001118019993 766196897 /nfs/dbraw/zinc/19/68/97/766196897.db2.gz SLJBMYAYPVPQIV-UHFFFAOYSA-N 1 0 310.417 0.331 20 10 DCCDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001118976436 766493087 /nfs/dbraw/zinc/49/30/87/766493087.db2.gz PMHKIMIBCQBILL-NSHDSACASA-N 1 0 303.362 0.432 20 10 DCCDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119110003 766543378 /nfs/dbraw/zinc/54/33/78/766543378.db2.gz FAVRPHQOZOMBIO-NSHDSACASA-N 1 0 305.378 0.691 20 10 DCCDRO CN(C)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001119550152 766724129 /nfs/dbraw/zinc/72/41/29/766724129.db2.gz AMBMSXQKXHPFOT-INIZCTEOSA-N 1 0 320.437 0.543 20 10 DCCDRO CON(C)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001119960889 766872822 /nfs/dbraw/zinc/87/28/22/766872822.db2.gz DXXDXHLTCICYGL-CQSZACIVSA-N 1 0 322.409 0.491 20 10 DCCDRO CCOC(=O)[C@@H]1CN(Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144503867 766960651 /nfs/dbraw/zinc/96/06/51/766960651.db2.gz GLDXDBZRKHHBGJ-LLVKDONJSA-N 1 0 309.318 0.758 20 10 DCCDRO CC(C)(C)[NH+]1CC(NC(=O)CN2C(=O)CSC2=S)C1 ZINC001144852748 767066541 /nfs/dbraw/zinc/06/65/41/767066541.db2.gz HSKXVNNVLVAWLC-UHFFFAOYSA-N 1 0 301.437 0.446 20 10 DCCDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001120677688 767133863 /nfs/dbraw/zinc/13/38/63/767133863.db2.gz WVORWDIAIDTLGY-AWEZNQCLSA-N 1 0 306.410 0.913 20 10 DCCDRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NCc1ccccc1O ZINC001121952272 767680264 /nfs/dbraw/zinc/68/02/64/767680264.db2.gz UKPVXSFJHGXTRH-MBNYWOFBSA-N 1 0 324.402 0.031 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC001140098522 768512430 /nfs/dbraw/zinc/51/24/30/768512430.db2.gz CSXZXYIOXPSPOU-UFBFGSQYSA-N 1 0 302.168 0.940 20 10 DCCDRO O=C1COCCN1C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162573 768570386 /nfs/dbraw/zinc/57/03/86/768570386.db2.gz VWJQNFWXTJNEBK-UHFFFAOYSA-N 1 0 306.362 0.921 20 10 DCCDRO CCNC(=O)CO[C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016758 769344462 /nfs/dbraw/zinc/34/44/62/769344462.db2.gz NHALMKOKKQYFHT-GFCCVEGCSA-N 1 0 324.377 0.921 20 10 DCCDRO O=C1CC[C@@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc(O)c(O)c3)CCN12 ZINC001172149870 769442626 /nfs/dbraw/zinc/44/26/26/769442626.db2.gz BUDFPKYYUNPRKF-LALPHHSUSA-N 1 0 306.362 0.874 20 10 DCCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)cc1O ZINC001173735432 769704890 /nfs/dbraw/zinc/70/48/90/769704890.db2.gz SXJVCGXERVMLHJ-ZOWXZIJZSA-N 1 0 319.365 0.891 20 10 DCCDRO COC(=O)Cc1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062306 769755881 /nfs/dbraw/zinc/75/58/81/769755881.db2.gz MATSUKTUBLPSBV-KRWDZBQOSA-N 1 0 319.405 0.245 20 10 DCCDRO CN1CCOc2cc(CN3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235063676 769757064 /nfs/dbraw/zinc/75/70/64/769757064.db2.gz PRBHAPJMESLVOQ-KRWDZBQOSA-N 1 0 302.422 0.653 20 10 DCCDRO COC(=O)[C@H]1C[C@H](C(=O)OC)C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204278734 771165755 /nfs/dbraw/zinc/16/57/55/771165755.db2.gz JKYYXFHFGOGBRJ-RYUDHWBXSA-N 1 0 323.345 0.882 20 10 DCCDRO O=C(N1CCCc2cc(O)c(O)cc2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160924281 772138680 /nfs/dbraw/zinc/13/86/80/772138680.db2.gz HHBQDCPRPVBLTM-CXAGYDPISA-N 1 0 317.389 0.324 20 10 DCCDRO CCOC(=O)[C@H]1NC(=O)c2cc(N3CC[C@@H]([NH3+])C3)ccc2O1 ZINC001164281699 772636020 /nfs/dbraw/zinc/63/60/20/772636020.db2.gz KTQBMKRQVGAXGR-OTYXRUKQSA-N 1 0 305.334 0.235 20 10 DCCDRO COc1cc(C(=O)NCCN2CCC[N@H+](C)CC2)cc(O)c1O ZINC001193114460 773007252 /nfs/dbraw/zinc/00/72/52/773007252.db2.gz RDRGCFNPMHYQEB-UHFFFAOYSA-N 1 0 323.393 0.474 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1C ZINC001268681488 940328736 /nfs/dbraw/zinc/32/87/36/940328736.db2.gz GBTFOCGHCVEKDX-GXTWGEPZSA-N 1 0 319.405 0.877 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC001462178159 943082736 /nfs/dbraw/zinc/08/27/36/943082736.db2.gz SYUCBMPRXDWCJE-INIZCTEOSA-N 1 0 319.361 0.883 20 10 DCCDRO O=C(NCC1COC1)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277440615 944819169 /nfs/dbraw/zinc/81/91/69/944819169.db2.gz CXBFBMHFAFKUHH-AWEZNQCLSA-N 1 0 302.374 0.977 20 10 DCCDRO COC(=O)Cc1ccc(C[NH+]2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001249201523 945625107 /nfs/dbraw/zinc/62/51/07/945625107.db2.gz WIDAXZLNTLDGES-UHFFFAOYSA-N 1 0 306.362 0.628 20 10 DCCDRO CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccccc2O)CC1 ZINC001321402572 946316744 /nfs/dbraw/zinc/31/67/44/946316744.db2.gz INTHOLFAKJQGNW-UHFFFAOYSA-N 1 0 319.405 0.951 20 10 DCCDRO CC[N@H+](CCNC(=O)C(=O)N(C)Cc1ccccc1O)C1CC1 ZINC001322419435 946672123 /nfs/dbraw/zinc/67/21/23/946672123.db2.gz MRLYOUYTCQUYFO-UHFFFAOYSA-N 1 0 319.405 0.951 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179691357 947887854 /nfs/dbraw/zinc/88/78/54/947887854.db2.gz KAICUFLKSVOKMN-GQCTYLIASA-N 1 0 308.334 0.461 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(=O)[nH]n2)cc1 ZINC001326354470 948137408 /nfs/dbraw/zinc/13/74/08/948137408.db2.gz WJMMLSHLVTXUAZ-LBPRGKRZSA-N 1 0 301.350 0.678 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC001334376399 952301249 /nfs/dbraw/zinc/30/12/49/952301249.db2.gz WFYSSJKADSXNBF-UHFFFAOYSA-N 1 0 302.396 0.690 20 10 DCCDRO CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275908290 952517549 /nfs/dbraw/zinc/51/75/49/952517549.db2.gz AAIYPJVKZWQCQB-UHFFFAOYSA-N 1 0 307.369 0.737 20 10 DCCDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001335711317 952586915 /nfs/dbraw/zinc/58/69/15/952586915.db2.gz FJXJNUFZOINIQG-FZMZJTMJSA-N 1 0 317.389 0.963 20 10 DCCDRO C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055445 952878572 /nfs/dbraw/zinc/87/85/72/952878572.db2.gz HUSVLNFJRIAQGN-UHFFFAOYSA-N 1 0 319.405 0.770 20 10 DCCDRO C[C@H](CNC(=O)NCc1c(O)cccc1F)N1CC[NH+](C)CC1 ZINC001346996221 953998950 /nfs/dbraw/zinc/99/89/50/953998950.db2.gz GBKWQOHITHGHDE-GFCCVEGCSA-N 1 0 324.400 0.966 20 10 DCCDRO COc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)c(O)c1 ZINC001347531613 954112688 /nfs/dbraw/zinc/11/26/88/954112688.db2.gz BXZXGRDHSUCOMV-BXUZGUMPSA-N 1 0 305.378 0.405 20 10 DCCDRO [O-]c1cc(F)c(F)cc1C[N@H+](CCO)CCN1CCOCC1 ZINC001308611898 960179716 /nfs/dbraw/zinc/17/97/16/960179716.db2.gz LENBWZHDHYLYPE-UHFFFAOYSA-N 1 0 316.348 0.797 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000372098792 239188598 /nfs/dbraw/zinc/18/85/98/239188598.db2.gz NOLDPMCXSHWRLF-CVEARBPZSA-N 1 0 303.406 0.869 20 10 DCCDRO Cc1ccc(O)c(C[NH2+]CCNS(=O)(=O)NC(C)C)c1 ZINC000277026640 396045151 /nfs/dbraw/zinc/04/51/51/396045151.db2.gz NJJTXAQSWCPDBC-UHFFFAOYSA-N 1 0 301.412 0.623 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CN1CC[NH2+]CC1 ZINC000638131121 417345539 /nfs/dbraw/zinc/34/55/39/417345539.db2.gz JXZSEQNRJQAGTN-UHFFFAOYSA-N 1 0 304.394 0.383 20 10 DCCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419703273 337491560 /nfs/dbraw/zinc/49/15/60/337491560.db2.gz DCGROEYCIFGTSV-GFCCVEGCSA-N 1 0 314.389 0.581 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CCCO)cc2=O ZINC000266867135 521580518 /nfs/dbraw/zinc/58/05/18/521580518.db2.gz NNBYLJIWNPPCLH-UHFFFAOYSA-N 1 0 322.365 0.816 20 10 DCCDRO OC1CCN(c2ccc(CN[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925717717 659039027 /nfs/dbraw/zinc/03/90/27/659039027.db2.gz WRZHFCRSTPEESM-OAHLLOKOSA-N 1 0 305.422 0.726 20 10 DCCDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000894421347 661967208 /nfs/dbraw/zinc/96/72/08/661967208.db2.gz DKVXDMYTBPWYJQ-UHFFFAOYSA-N 1 0 319.361 0.883 20 10 DCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000896034426 662237013 /nfs/dbraw/zinc/23/70/13/662237013.db2.gz BFZZQDGGZCFNHB-OAHLLOKOSA-N 1 0 311.334 0.519 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC(N)=O)C2)cc1C ZINC000988416318 662771171 /nfs/dbraw/zinc/77/11/71/662771171.db2.gz TYFYCLSVOAOGQO-GXTWGEPZSA-N 1 0 319.405 0.958 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)O[C@H]2CNOC2)[NH+](C)C)cc1 ZINC000899098510 663123984 /nfs/dbraw/zinc/12/39/84/663123984.db2.gz PEJMRQGBQAVBRU-LSDHHAIUSA-N 1 0 322.409 0.985 20 10 DCCDRO [NH3+]CCOCc1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900602126 663259599 /nfs/dbraw/zinc/25/95/99/663259599.db2.gz UMRCLFJVNDMSFU-UHFFFAOYSA-N 1 0 317.393 0.638 20 10 DCCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1cc(F)ccc1O ZINC000903967635 663499037 /nfs/dbraw/zinc/49/90/37/663499037.db2.gz DRZXYOUGASEZLG-LBPRGKRZSA-N 1 0 302.371 0.398 20 10 DCCDRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000911229199 664011694 /nfs/dbraw/zinc/01/16/94/664011694.db2.gz KAXLYLFIDBAWDZ-UHFFFAOYSA-N 1 0 316.405 0.511 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C(N)=O)cc2)CC1 ZINC000918912902 665189870 /nfs/dbraw/zinc/18/98/70/665189870.db2.gz JPBFJCDBXHLPKD-LSDHHAIUSA-N 1 0 316.405 0.176 20 10 DCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000861749764 666971862 /nfs/dbraw/zinc/97/18/62/666971862.db2.gz JEUJJWJQADRZFI-GFCCVEGCSA-N 1 0 318.421 0.491 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861813737 666982800 /nfs/dbraw/zinc/98/28/00/666982800.db2.gz ZOJRSKQKCGRMRU-GXTWGEPZSA-N 1 0 319.405 0.997 20 10 DCCDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC000862385517 667040891 /nfs/dbraw/zinc/04/08/91/667040891.db2.gz MRXHHPFVBXMPTM-AOOOYVTPSA-N 1 0 309.316 0.735 20 10 DCCDRO COc1cc(Br)cc(C[NH+](CCO)CCO)c1O ZINC000862429186 667043428 /nfs/dbraw/zinc/04/34/28/667043428.db2.gz DFDIERGHDSNMSH-UHFFFAOYSA-N 1 0 320.183 0.950 20 10 DCCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000863298575 667125664 /nfs/dbraw/zinc/12/56/64/667125664.db2.gz ZVCYJFMDCRYZOJ-CZUORRHYSA-N 1 0 323.345 0.582 20 10 DCCDRO CCN(CC[NH3+])CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000863551205 667156787 /nfs/dbraw/zinc/15/67/87/667156787.db2.gz JMTPDDJRIKJHNR-UHFFFAOYSA-N 1 0 320.437 0.624 20 10 DCCDRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCc1ccc(N)cc1 ZINC000866761347 667395165 /nfs/dbraw/zinc/39/51/65/667395165.db2.gz OSIZSRDHPGFNFY-UHFFFAOYSA-N 1 0 312.439 0.330 20 10 DCCDRO COc1cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(O)cc1C ZINC000872714470 667932210 /nfs/dbraw/zinc/93/22/10/667932210.db2.gz OZEHCAUTIXXDIT-TXEJJXNPSA-N 1 0 304.346 0.756 20 10 DCCDRO COc1cc(O)c(CN2CCC([NH2+]CCO)CC2)cc1OC ZINC000873217640 668066751 /nfs/dbraw/zinc/06/67/51/668066751.db2.gz NATWURIGXJGSJF-UHFFFAOYSA-N 1 0 310.394 0.956 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)C[NH2+]CCO2)cc1 ZINC000876948032 668540454 /nfs/dbraw/zinc/54/04/54/668540454.db2.gz DAANQYTUCCYYHK-KRWDZBQOSA-N 1 0 321.421 0.968 20 10 DCCDRO Cc1ccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c(O)c1 ZINC000877730525 668643890 /nfs/dbraw/zinc/64/38/90/668643890.db2.gz DAUIBILAXRQRFR-INIZCTEOSA-N 1 0 306.362 0.418 20 10 DCCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000769469144 668649432 /nfs/dbraw/zinc/64/94/32/668649432.db2.gz SWHMILAIXJFNBQ-CYBMUJFWSA-N 1 0 310.394 0.526 20 10 DCCDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779406264 668910776 /nfs/dbraw/zinc/91/07/76/668910776.db2.gz VQGFKBYQOOYBEN-CYBMUJFWSA-N 1 0 312.435 0.782 20 10 DCCDRO CNC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000781575011 669050605 /nfs/dbraw/zinc/05/06/05/669050605.db2.gz GWFGDOAICJGPMG-HNNXBMFYSA-N 1 0 301.346 0.887 20 10 DCCDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC000930640867 669051505 /nfs/dbraw/zinc/05/15/05/669051505.db2.gz PKYHOXHVBIXRLC-GASCZTMLSA-N 1 0 315.373 0.228 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C(=O)[O-])CCOC3)cc2)CC1 ZINC000789901572 669517191 /nfs/dbraw/zinc/51/71/91/669517191.db2.gz AIEKBZCTNFIGDY-KRWDZBQOSA-N 1 0 319.405 0.772 20 10 DCCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000797414465 669967317 /nfs/dbraw/zinc/96/73/17/669967317.db2.gz AWMSLCSQUABTAR-CJNGLKHVSA-N 1 0 306.362 0.776 20 10 DCCDRO C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000807674887 670372589 /nfs/dbraw/zinc/37/25/89/670372589.db2.gz RTEFJGNNQHFIMM-ZDUSSCGKSA-N 1 0 320.437 0.950 20 10 DCCDRO CCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c(O)c1 ZINC000850360622 670909604 /nfs/dbraw/zinc/90/96/04/670909604.db2.gz IDBJCIMCCPQOCK-OCCSQVGLSA-N 1 0 315.391 0.693 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000817948541 670955959 /nfs/dbraw/zinc/95/59/59/670955959.db2.gz BGAWEOJXHMCTKE-CYBMUJFWSA-N 1 0 305.378 0.690 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC[NH2+]CC1 ZINC000851682337 671012043 /nfs/dbraw/zinc/01/20/43/671012043.db2.gz VVIQZDTWRWQTFL-UHFFFAOYSA-N 1 0 318.421 0.763 20 10 DCCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000858570058 671017660 /nfs/dbraw/zinc/01/76/60/671017660.db2.gz QYHNNKHDOIIUQE-NSHDSACASA-N 1 0 313.423 0.842 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852854564 671175034 /nfs/dbraw/zinc/17/50/34/671175034.db2.gz KFFYOTWDFLHXAD-HOTGVXAUSA-N 1 0 319.405 0.708 20 10 DCCDRO O=C(NCc1ccc(N2CCSCC2)cc1)C1(O)C[NH2+]C1 ZINC000852859897 671176845 /nfs/dbraw/zinc/17/68/45/671176845.db2.gz DMMQTQZWVKGIJU-UHFFFAOYSA-N 1 0 307.419 0.190 20 10 DCCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)N(C)C)cc1Cl ZINC000825892957 671474323 /nfs/dbraw/zinc/47/43/23/671474323.db2.gz LUYKKPAAGDXZIV-UHFFFAOYSA-N 1 0 321.830 0.840 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC[NH2+]1 ZINC000827369607 671525165 /nfs/dbraw/zinc/52/51/65/671525165.db2.gz FTXGLOYWUOWIPM-CQSZACIVSA-N 1 0 307.369 0.765 20 10 DCCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3[NH3+])cc2)C1 ZINC000827469106 671528845 /nfs/dbraw/zinc/52/88/45/671528845.db2.gz MKHGOWFBNIQIDT-AEGPPILISA-N 1 0 316.405 0.352 20 10 DCCDRO CN(C)C(=O)C1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832284059 671713134 /nfs/dbraw/zinc/71/31/34/671713134.db2.gz HELHEIFNIRRWCY-AWEZNQCLSA-N 1 0 318.421 0.737 20 10 DCCDRO COc1ccc(CNC(=O)NCCN2CC[NH2+]CC2)c(O)c1 ZINC000841921685 671966316 /nfs/dbraw/zinc/96/63/16/671966316.db2.gz XAAUELDMDLYXRB-UHFFFAOYSA-N 1 0 308.382 0.105 20 10 DCCDRO COCC[NH2+]CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841967399 671969605 /nfs/dbraw/zinc/96/96/05/671969605.db2.gz BHETZKCLAKFTDB-LLVKDONJSA-N 1 0 311.382 0.997 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)cc1F ZINC000842147626 671985596 /nfs/dbraw/zinc/98/55/96/671985596.db2.gz HLMUEBOCOTYGHZ-UHFFFAOYSA-N 1 0 322.384 0.330 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)[NH3+])cc1 ZINC000842206668 671994650 /nfs/dbraw/zinc/99/46/50/671994650.db2.gz HWZAIGDGUPPILS-GFCCVEGCSA-N 1 0 306.410 0.612 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[NH3+])cc1F ZINC000842210074 671995103 /nfs/dbraw/zinc/99/51/03/671995103.db2.gz UFIAELAIHTYZBG-NSHDSACASA-N 1 0 324.400 0.752 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000842229692 671997736 /nfs/dbraw/zinc/99/77/36/671997736.db2.gz LMUGLEQULMIBFG-LBPRGKRZSA-N 1 0 307.394 0.984 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[NH2+]CC ZINC000842232948 671998096 /nfs/dbraw/zinc/99/80/96/671998096.db2.gz XBEYTHSHYRKIRU-UHFFFAOYSA-N 1 0 307.394 0.857 20 10 DCCDRO COc1c(O)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843056427 672057014 /nfs/dbraw/zinc/05/70/14/672057014.db2.gz JQOMJYCENIKITH-BXKDBHETSA-N 1 0 311.338 0.857 20 10 DCCDRO C[NH+](C)CCN1CCN(Cc2cc3c(cc2O)OCO3)CC1=O ZINC000844715154 672196515 /nfs/dbraw/zinc/19/65/15/672196515.db2.gz TXWWHCOZLOVCKO-UHFFFAOYSA-N 1 0 321.377 0.327 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000846696781 672338672 /nfs/dbraw/zinc/33/86/72/672338672.db2.gz HXHDGGFHHXYZHI-INIZCTEOSA-N 1 0 322.453 0.869 20 10 DCCDRO COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846845246 672348300 /nfs/dbraw/zinc/34/83/00/672348300.db2.gz WFOIHCIEGZVHHV-OLZOCXBDSA-N 1 0 312.410 0.991 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)O)C2)cc(OC)n1 ZINC001007792843 690750463 /nfs/dbraw/zinc/75/04/63/690750463.db2.gz QGCWXBXHJLTHCQ-DGCLKSJQSA-N 1 0 323.393 0.674 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)OC)C2)cc(OC)n1 ZINC001015105913 692193578 /nfs/dbraw/zinc/19/35/78/692193578.db2.gz ZFWMZDDXKHWNBQ-AAEUAGOBSA-N 1 0 323.393 0.938 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)OC)C2)cc(OC)n1 ZINC001015105916 692193601 /nfs/dbraw/zinc/19/36/01/692193601.db2.gz ZFWMZDDXKHWNBQ-YPMHNXCESA-N 1 0 323.393 0.938 20 10 DCCDRO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC000035251584 1171401280 /nfs/dbraw/zinc/40/12/80/1171401280.db2.gz JOGQGJDHYLZSBI-UHFFFAOYSA-N 1 0 300.380 0.611 20 10 DCCDRO Cc1cc(O)c(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1Cl ZINC001665359252 1174509469 /nfs/dbraw/zinc/50/94/69/1174509469.db2.gz JQSRTPJKBDCHJW-NXEZZACHSA-N 1 0 311.769 0.373 20 10 DCCDRO CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC001665358693 1174510168 /nfs/dbraw/zinc/51/01/68/1174510168.db2.gz CKBWZHWGQRPIDF-BETUJISGSA-N 1 0 305.378 0.534 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2ncn(C)n2)cc1C ZINC001713588965 1180947495 /nfs/dbraw/zinc/94/74/95/1180947495.db2.gz NJWWTYHLQKGQLD-UHFFFAOYSA-N 1 0 317.393 0.994 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001047956754 754554038 /nfs/dbraw/zinc/55/40/38/754554038.db2.gz ZYFZZQNQNNUMFP-OCCSQVGLSA-N 1 0 319.405 0.816 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001047956742 754554242 /nfs/dbraw/zinc/55/42/42/754554242.db2.gz ZYFZZQNQNNUMFP-GXTWGEPZSA-N 1 0 319.405 0.816 20 10 DCCDRO C[C@H]1C(=O)NN=C2COc3ccc(N4CC[C@@H]([NH3+])C4)cc3N21 ZINC001164286405 756672237 /nfs/dbraw/zinc/67/22/37/756672237.db2.gz NPZDADMHMVWUDD-VHSXEESVSA-N 1 0 301.350 0.255 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CN(C)CCN2C)c(O)c1OC ZINC001119946814 758164229 /nfs/dbraw/zinc/16/42/29/758164229.db2.gz HMJHHHMWILFQIA-ZDUSSCGKSA-N 1 0 309.410 0.745 20 10 DCCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CO1 ZINC001169338933 760652046 /nfs/dbraw/zinc/65/20/46/760652046.db2.gz IVDHGRNJNKDDAC-IAQYHMDHSA-N 1 0 323.345 0.981 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC001118035683 766201928 /nfs/dbraw/zinc/20/19/28/766201928.db2.gz URLHDQCJGWBXBV-UHFFFAOYSA-N 1 0 318.421 0.579 20 10 DCCDRO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001119637038 766757028 /nfs/dbraw/zinc/75/70/28/766757028.db2.gz XTWVZIPBRISGGE-NSHDSACASA-N 1 0 303.362 0.432 20 10 DCCDRO COc1cc(CN2CCO[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139255880 768464043 /nfs/dbraw/zinc/46/40/43/768464043.db2.gz SJHNREHFLQCELS-CQSZACIVSA-N 1 0 310.394 0.656 20 10 DCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC001140283633 768523675 /nfs/dbraw/zinc/52/36/75/768523675.db2.gz ZBVHPWCWYYWGRI-YJBOKZPZSA-N 1 0 320.433 0.823 20 10 DCCDRO Cc1cc(C)c(C[NH+]2CC(N3CCN(C)C(=O)C3)C2)c(O)c1 ZINC001231846242 769288426 /nfs/dbraw/zinc/28/84/26/769288426.db2.gz JIGUDDGYVRKNRJ-UHFFFAOYSA-N 1 0 303.406 0.967 20 10 DCCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486657 769370058 /nfs/dbraw/zinc/37/00/58/769370058.db2.gz WWCCBWPAWIYTSL-LBPRGKRZSA-N 1 0 324.377 0.921 20 10 DCCDRO COc1cc(O)c(CN2CCNC[C@@]23CC[NH2+]C3)cc1OC ZINC001234994045 769738131 /nfs/dbraw/zinc/73/81/31/769738131.db2.gz XCVYXDPTRUONGQ-INIZCTEOSA-N 1 0 307.394 0.547 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)cc1OC ZINC001236749508 770016865 /nfs/dbraw/zinc/01/68/65/770016865.db2.gz JBLNASXJTSTEGQ-JKSUJKDBSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)cc1OC ZINC001236749506 770017915 /nfs/dbraw/zinc/01/79/15/770017915.db2.gz JBLNASXJTSTEGQ-HOTGVXAUSA-N 1 0 311.378 0.975 20 10 DCCDRO C[N@@H+](Cc1cc(O)c(Br)cc1O)C[C@H](O)CO ZINC001236765107 770018494 /nfs/dbraw/zinc/01/84/94/770018494.db2.gz ABPBOMPRMBSRLR-QMMMGPOBSA-N 1 0 306.156 0.645 20 10 DCCDRO [NH3+]CCS(=O)(=O)NCc1ccc(Br)cc1O ZINC001238779382 770128323 /nfs/dbraw/zinc/12/83/23/770128323.db2.gz WZOAXUQELPVKAF-UHFFFAOYSA-N 1 0 309.185 0.533 20 10 DCCDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001177779485 770549737 /nfs/dbraw/zinc/54/97/37/770549737.db2.gz KAZGHMRISOQMHJ-UHFFFAOYSA-N 1 0 303.403 0.921 20 10 DCCDRO COc1cc(C)cc(C[NH2+]C(C)(C)CNS(N)(=O)=O)c1O ZINC001183621079 771678175 /nfs/dbraw/zinc/67/81/75/771678175.db2.gz YNABAGXUSOREJQ-UHFFFAOYSA-N 1 0 317.411 0.371 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275117 772943563 /nfs/dbraw/zinc/94/35/63/772943563.db2.gz XEBYPSBDJSNPNT-INIZCTEOSA-N 1 0 319.361 0.021 20 10 DCCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204347516 772946346 /nfs/dbraw/zinc/94/63/46/772946346.db2.gz VDKZYAAXCMMVHO-ZBEGNZNMSA-N 1 0 323.345 0.728 20 10 DCCDRO COc1cc(C(=O)NC2(CO)CC[NH+](C)CC2)cc(O)c1O ZINC001193132734 773014875 /nfs/dbraw/zinc/01/48/75/773014875.db2.gz WJWKFJXXLWGHAJ-UHFFFAOYSA-N 1 0 310.350 0.293 20 10 DCCDRO [NH3+]CCNCC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212635 774735712 /nfs/dbraw/zinc/73/57/12/774735712.db2.gz QRRATUZRGZDTQM-UHFFFAOYSA-N 1 0 308.769 0.758 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1C[NH2+]CCN1 ZINC001220212594 774736034 /nfs/dbraw/zinc/73/60/34/774736034.db2.gz PJRDSUJCYVUCAM-LBPRGKRZSA-N 1 0 320.780 0.771 20 10 DCCDRO C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1ccccc1O ZINC001277442271 944819370 /nfs/dbraw/zinc/81/93/70/944819370.db2.gz VQZQEIMOHMDPKJ-SNVBAGLBSA-N 1 0 301.350 0.529 20 10 DCCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c(O)c1 ZINC001249208180 945624273 /nfs/dbraw/zinc/62/42/73/945624273.db2.gz OOOAUMZUAUOVGP-VIKVFOODSA-N 1 0 319.357 0.959 20 10 DCCDRO COC(=O)[C@@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001252422420 945918692 /nfs/dbraw/zinc/91/86/92/945918692.db2.gz XALXGLZEQSAMBW-HNNXBMFYSA-N 1 0 308.378 0.489 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]C[C@]3(O)CCOC3)cc2F)CC1 ZINC001321337484 946282465 /nfs/dbraw/zinc/28/24/65/946282465.db2.gz BYPZLPFIVOXRIC-QGZVFWFLSA-N 1 0 323.412 0.819 20 10 DCCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001256314996 946608437 /nfs/dbraw/zinc/60/84/37/946608437.db2.gz BSEAUXKNZXNCER-XHDPSFHLSA-N 1 0 324.377 0.358 20 10 DCCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001256321682 946610621 /nfs/dbraw/zinc/61/06/21/946610621.db2.gz OIGPGLGNGPDEJM-LBPRGKRZSA-N 1 0 308.378 0.867 20 10 DCCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001256326051 946610852 /nfs/dbraw/zinc/61/08/52/946610852.db2.gz ICJVKYYAAIWSOJ-NSHDSACASA-N 1 0 322.361 0.508 20 10 DCCDRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC001322695265 946772079 /nfs/dbraw/zinc/77/20/79/946772079.db2.gz QTTXRHDQXKOGLG-GXTWGEPZSA-N 1 0 319.405 0.950 20 10 DCCDRO Cn1nncc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323453210 947089337 /nfs/dbraw/zinc/08/93/37/947089337.db2.gz GHCQZILGTIHIAQ-UHFFFAOYSA-N 1 0 318.400 0.996 20 10 DCCDRO CC1(C)CN(C(=O)NCc2ccc(N)cc2)CC[N@@H+]1CCO ZINC001262603244 947738178 /nfs/dbraw/zinc/73/81/78/947738178.db2.gz BUHIWIQXLSOGMF-UHFFFAOYSA-N 1 0 306.410 0.867 20 10 DCCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001325762884 947917673 /nfs/dbraw/zinc/91/76/73/947917673.db2.gz HQYJBVWVLIBYIL-CQSZACIVSA-N 1 0 319.405 0.951 20 10 DCCDRO CN1CCN(c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2F)CC1 ZINC001326075753 948043207 /nfs/dbraw/zinc/04/32/07/948043207.db2.gz SDJHWSQYUFJEML-HALDLXJZSA-N 1 0 304.413 0.885 20 10 DCCDRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC001326472905 948174431 /nfs/dbraw/zinc/17/44/31/948174431.db2.gz FKFOFYGMOUUJFC-JSGCOSHPSA-N 1 0 319.405 0.794 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)C2)cc1 ZINC001329647052 949746992 /nfs/dbraw/zinc/74/69/92/949746992.db2.gz NJBWRJQWGJDIOV-SHUKQUCYSA-N 1 0 301.390 0.998 20 10 DCCDRO C[C@H]1C[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[N@@H+]1C ZINC001330185925 950179837 /nfs/dbraw/zinc/17/98/37/950179837.db2.gz ZXHDYFOBMAHDQG-WCQYABFASA-N 1 0 317.389 0.833 20 10 DCCDRO O=C([O-])C[NH+]1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC001330213135 950204226 /nfs/dbraw/zinc/20/42/26/950204226.db2.gz GEIHKISRWNAVJS-UHFFFAOYSA-N 1 0 308.334 0.760 20 10 DCCDRO C[NH+]1CCC(NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001330326506 950274111 /nfs/dbraw/zinc/27/41/11/950274111.db2.gz HGYHHWRVYBJSDJ-UHFFFAOYSA-N 1 0 303.362 0.445 20 10 DCCDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331156589 950970157 /nfs/dbraw/zinc/97/01/57/950970157.db2.gz XUESBYWELDOJQG-LLVKDONJSA-N 1 0 303.362 0.350 20 10 DCCDRO CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CC[NH2+]C1 ZINC001331235642 951036074 /nfs/dbraw/zinc/03/60/74/951036074.db2.gz ZNOTZKYROGWXTA-GFCCVEGCSA-N 1 0 303.362 0.445 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2COC(=O)N2)cc1C ZINC001274739888 951817532 /nfs/dbraw/zinc/81/75/32/951817532.db2.gz JZBUVMIPWBYECB-DGCLKSJQSA-N 1 0 321.377 0.706 20 10 DCCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CC(N)=O)C2)cc1C ZINC001333049003 951896475 /nfs/dbraw/zinc/89/64/75/951896475.db2.gz LIJCTDYYJLJHAP-UHFFFAOYSA-N 1 0 319.405 0.958 20 10 DCCDRO Cc1ccc(O)c(C[NH+]2CC3(CN(CC(=O)N(C)C)C3)C2)c1 ZINC001275311918 952056028 /nfs/dbraw/zinc/05/60/28/952056028.db2.gz UQULUWOMSKOZNI-UHFFFAOYSA-N 1 0 303.406 0.906 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001335832430 952607666 /nfs/dbraw/zinc/60/76/66/952607666.db2.gz ONELRAIXUQSPEO-CQSZACIVSA-N 1 0 319.405 0.999 20 10 DCCDRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1O ZINC001341465068 953232250 /nfs/dbraw/zinc/23/22/50/953232250.db2.gz FRUQPMVTDBWPCR-OAHLLOKOSA-N 1 0 307.394 0.840 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)cc1 ZINC001342159262 953273951 /nfs/dbraw/zinc/27/39/51/953273951.db2.gz KADKJDNIAGRHDP-WMLDXEAASA-N 1 0 321.421 0.703 20 10 DCCDRO O=C(NCc1c(O)cccc1F)c1cnnn1C1CC[NH2+]CC1 ZINC001342614232 953298313 /nfs/dbraw/zinc/29/83/13/953298313.db2.gz TWJSAUUBZZRPMQ-UHFFFAOYSA-N 1 0 319.340 0.977 20 10 DCCDRO COC(=O)[C@@H]1C[NH+](Cc2cc(OC)ccc2O)C[C@H]1C(=O)OC ZINC001343333033 953338573 /nfs/dbraw/zinc/33/85/73/953338573.db2.gz LSWQXDFFWDOMKE-CHWSQXEVSA-N 1 0 323.345 0.795 20 10 DCCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001347178457 954038692 /nfs/dbraw/zinc/03/86/92/954038692.db2.gz OPYZYLAQXHTMJJ-QWHCGFSZSA-N 1 0 312.435 0.780 20 10 DCCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001351919381 955461574 /nfs/dbraw/zinc/46/15/74/955461574.db2.gz JHJNUFXIBVPMQQ-ZDUSSCGKSA-N 1 0 317.389 0.787 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001292514456 956993182 /nfs/dbraw/zinc/99/31/82/956993182.db2.gz HHRXONQWHFLBAE-KBPBESRZSA-N 1 0 320.389 0.698 20 10 DCCDRO C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(C(=O)[O-])ccc1O ZINC001593311609 994785482 /nfs/dbraw/zinc/78/54/82/994785482.db2.gz JKADDTPLPPDPOP-MRVPVSSYSA-N 1 0 318.333 0.896 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCC[N@H+]1CCO ZINC001468290680 1016240217 /nfs/dbraw/zinc/24/02/17/1016240217.db2.gz APHUYFAOLFWYGW-CYBMUJFWSA-N 1 0 308.378 0.603 20 10 DCCDRO C[NH+](C)CCn1cc(C(=O)NCc2cc(O)ccc2O)cn1 ZINC001471661754 1016628884 /nfs/dbraw/zinc/62/88/84/1016628884.db2.gz ANKKMYCQNQLSAE-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCO)cc2F)CC1 ZINC000106584737 194234890 /nfs/dbraw/zinc/23/48/90/194234890.db2.gz FBBGYNQKKGQAHP-UHFFFAOYSA-N 1 0 324.400 0.759 20 10 DCCDRO CCOc1cccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1O ZINC000093583432 395738982 /nfs/dbraw/zinc/73/89/82/395738982.db2.gz WYBSCDFTGBLQJY-HNNXBMFYSA-N 1 0 324.421 0.916 20 10 DCCDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283312484 396328857 /nfs/dbraw/zinc/32/88/57/396328857.db2.gz BLNKKVZKAGGXIM-ZDUSSCGKSA-N 1 0 320.437 0.825 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269278645 396403213 /nfs/dbraw/zinc/40/32/13/396403213.db2.gz YWKDWVDLWVSOPR-ZDUSSCGKSA-N 1 0 305.378 0.857 20 10 DCCDRO NC(=O)Cn1cc(C[NH2+]CCCSc2nccs2)nn1 ZINC001656574323 1173869443 /nfs/dbraw/zinc/86/94/43/1173869443.db2.gz CWOGTFFQHXISHT-UHFFFAOYSA-N 1 0 312.424 0.492 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)cc1F ZINC000269275810 518154937 /nfs/dbraw/zinc/15/49/37/518154937.db2.gz WWTWFGXOARTZEF-TZMCWYRMSA-N 1 0 323.368 0.206 20 10 DCCDRO COc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)c(O)c1OC ZINC000891860013 657834794 /nfs/dbraw/zinc/83/47/94/657834794.db2.gz ACQCWPWYIMTZFL-UHFFFAOYSA-N 1 0 309.366 0.996 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn[nH]n2)[NH+](C)C)cc1 ZINC000891255453 658096078 /nfs/dbraw/zinc/09/60/78/658096078.db2.gz PLIBXQRFOJWJSU-CQSZACIVSA-N 1 0 302.382 0.903 20 10 DCCDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000892038989 658129397 /nfs/dbraw/zinc/12/93/97/658129397.db2.gz NJCMTWSDXCGWGR-HNNXBMFYSA-N 1 0 320.437 0.956 20 10 DCCDRO COc1ccc(CN2CCO[C@H](CNC(C)=O)C2)c(O)c1OC ZINC000892056162 658146775 /nfs/dbraw/zinc/14/67/75/658146775.db2.gz QQJBDVCPZBPKTA-CYBMUJFWSA-N 1 0 324.377 0.746 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)cc1C ZINC000995069570 665754146 /nfs/dbraw/zinc/75/41/46/665754146.db2.gz GREXHFPNNNOALH-KGLIPLIRSA-N 1 0 319.405 0.863 20 10 DCCDRO COCC[NH2+]CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000237225225 662095138 /nfs/dbraw/zinc/09/51/38/662095138.db2.gz FKURBYJJNHZMFB-CQSZACIVSA-N 1 0 321.421 0.936 20 10 DCCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c1O ZINC000895251501 662156315 /nfs/dbraw/zinc/15/63/15/662156315.db2.gz WKAOGWVLTDIZEE-INIZCTEOSA-N 1 0 311.378 0.967 20 10 DCCDRO COc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c1 ZINC000895770944 662214614 /nfs/dbraw/zinc/21/46/14/662214614.db2.gz HNBHMNOKCJFKLK-CQSZACIVSA-N 1 0 306.362 0.786 20 10 DCCDRO Cn1ccn2c(CC[NH2+]Cc3cc(F)ccc3O)nnc2c1=O ZINC000895788501 662216679 /nfs/dbraw/zinc/21/66/79/662216679.db2.gz AMVDRZOYJVNOAC-UHFFFAOYSA-N 1 0 317.324 0.605 20 10 DCCDRO COc1ccc(O)c(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000896363576 662264556 /nfs/dbraw/zinc/26/45/56/662264556.db2.gz ZCELZRWHVHOWHP-CYBMUJFWSA-N 1 0 306.362 0.738 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897043620 662386716 /nfs/dbraw/zinc/38/67/16/662386716.db2.gz WJFOQPDLLLFFGI-GFCCVEGCSA-N 1 0 320.389 0.864 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(N)=O)[C@@H]2C)cc1C ZINC000986096098 662553094 /nfs/dbraw/zinc/55/30/94/662553094.db2.gz DNHQVJPISZFQLL-OCCSQVGLSA-N 1 0 319.405 0.958 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)cc1C ZINC000986804720 662620961 /nfs/dbraw/zinc/62/09/61/662620961.db2.gz BRKPNHPMRADURI-DGCLKSJQSA-N 1 0 305.378 0.568 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cc1C ZINC000989400309 662910537 /nfs/dbraw/zinc/91/05/37/662910537.db2.gz XCMOTDSATQIULU-DGCLKSJQSA-N 1 0 305.378 0.568 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1 ZINC000927026608 668445076 /nfs/dbraw/zinc/44/50/76/668445076.db2.gz QRGOSVVOCIFJLR-NXEZZACHSA-N 1 0 303.380 0.457 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000907272740 663679911 /nfs/dbraw/zinc/67/99/11/663679911.db2.gz ITZPQIDKGMFGNA-FZMZJTMJSA-N 1 0 320.389 0.866 20 10 DCCDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000922536757 666478055 /nfs/dbraw/zinc/47/80/55/666478055.db2.gz ZOLBMHQPFMNEEE-AWEZNQCLSA-N 1 0 300.786 0.828 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861582777 666947175 /nfs/dbraw/zinc/94/71/75/666947175.db2.gz JOKWBMOWKREQJL-AWEZNQCLSA-N 1 0 306.410 0.849 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713162 666963214 /nfs/dbraw/zinc/96/32/14/666963214.db2.gz AFTFPPRDPKUQST-BZRVQBCOSA-N 1 0 318.373 0.779 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCN(c3nccnn3)CC2)c1 ZINC000862444531 667044868 /nfs/dbraw/zinc/04/48/68/667044868.db2.gz XKKXITCXAZVHNP-UHFFFAOYSA-N 1 0 301.350 0.908 20 10 DCCDRO COc1c([O-])c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000862546286 667047727 /nfs/dbraw/zinc/04/77/27/667047727.db2.gz KTGKFUYFHMMHPP-NXEZZACHSA-N 1 0 308.290 0.914 20 10 DCCDRO C[C@H](O)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665704 667981764 /nfs/dbraw/zinc/98/17/64/667981764.db2.gz VLTPSAOPWIEJPQ-ZDUSSCGKSA-N 1 0 306.410 0.618 20 10 DCCDRO OCC1CCN(c2ccc(CN[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925502040 668325712 /nfs/dbraw/zinc/32/57/12/668325712.db2.gz JZDOKPWNFWUVLQ-QGZVFWFLSA-N 1 0 319.449 0.973 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@]3(C)C[NH2+]CCO3)CC2)cc1 ZINC000876708635 668492565 /nfs/dbraw/zinc/49/25/65/668492565.db2.gz WJIMDWUNGDBUBC-KRWDZBQOSA-N 1 0 319.405 0.722 20 10 DCCDRO C[NH+](C)C[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000876732139 668497746 /nfs/dbraw/zinc/49/77/46/668497746.db2.gz XGVKQBPTNGVKNL-HNNXBMFYSA-N 1 0 322.478 0.745 20 10 DCCDRO CNS(=O)(=O)NC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877487010 668622845 /nfs/dbraw/zinc/62/28/45/668622845.db2.gz AZMKOAJBGJPZRE-UHFFFAOYSA-N 1 0 313.423 0.719 20 10 DCCDRO O=C1COC[C@@]2(C[NH2+]Cc3cc(F)ccc3O)COCCN12 ZINC000877733821 668644003 /nfs/dbraw/zinc/64/40/03/668644003.db2.gz YULJNWODARXZIO-OAHLLOKOSA-N 1 0 310.325 0.249 20 10 DCCDRO CCN(C)c1ccc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC000878973450 668959233 /nfs/dbraw/zinc/95/92/33/668959233.db2.gz POEUWIQEHHKTCG-ZIAGYGMSSA-N 1 0 304.394 0.161 20 10 DCCDRO CC[NH2+]Cc1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094335 669297233 /nfs/dbraw/zinc/29/72/33/669297233.db2.gz ILOAALUOTJKHOA-UHFFFAOYSA-N 1 0 316.409 0.770 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCSc1nccs1 ZINC000851685021 671012954 /nfs/dbraw/zinc/01/29/54/671012954.db2.gz LAUVAIXMOLTYOE-SECBINFHSA-N 1 0 316.452 0.466 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000851685130 671012976 /nfs/dbraw/zinc/01/29/76/671012976.db2.gz PTMOCVTYRUXBJJ-GFCCVEGCSA-N 1 0 306.410 0.401 20 10 DCCDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000851686155 671013694 /nfs/dbraw/zinc/01/36/94/671013694.db2.gz WKMBUDWEGFJFBZ-OAHLLOKOSA-N 1 0 320.437 0.858 20 10 DCCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851685636 671013780 /nfs/dbraw/zinc/01/37/80/671013780.db2.gz UVGVUWUROQAFDV-AWEZNQCLSA-N 1 0 314.389 0.157 20 10 DCCDRO COC(=O)CCN1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000851841372 671043651 /nfs/dbraw/zinc/04/36/51/671043651.db2.gz PUUZWVRPALLAKA-ZDUSSCGKSA-N 1 0 306.362 0.988 20 10 DCCDRO CN1CCCc2cc(CNC(=O)c3cn(CC[NH3+])nn3)ccc21 ZINC000852800276 671161996 /nfs/dbraw/zinc/16/19/96/671161996.db2.gz XDSIUUAYILQYFI-UHFFFAOYSA-N 1 0 314.393 0.549 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000852843873 671172537 /nfs/dbraw/zinc/17/25/37/671172537.db2.gz IVLDBPFHIDZRRC-CZUORRHYSA-N 1 0 319.405 0.769 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCO[C@@H]3C[NH3+])C2)cc1 ZINC000852900438 671190474 /nfs/dbraw/zinc/19/04/74/671190474.db2.gz LTVSAWXMIVUWHF-VBNZEHGJSA-N 1 0 319.405 0.754 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000852917460 671194898 /nfs/dbraw/zinc/19/48/98/671194898.db2.gz LSZDDFQTTAYDLW-UHFFFAOYSA-N 1 0 320.437 0.908 20 10 DCCDRO NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000821486341 671281435 /nfs/dbraw/zinc/28/14/35/671281435.db2.gz CTBRQZNSWVNNRG-UHFFFAOYSA-N 1 0 316.405 0.320 20 10 DCCDRO [NH3+]CCOCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827321331 671522804 /nfs/dbraw/zinc/52/28/04/671522804.db2.gz VIDNGOHOHKTEIB-UHFFFAOYSA-N 1 0 309.435 0.831 20 10 DCCDRO CCS(=O)(=O)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279864 671713071 /nfs/dbraw/zinc/71/30/71/671713071.db2.gz MBTQNIJFDPNANL-CYBMUJFWSA-N 1 0 313.423 0.303 20 10 DCCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C[NH2+]CCO1 ZINC000841831952 671958229 /nfs/dbraw/zinc/95/82/29/671958229.db2.gz IIVGDDJGVDVSNM-MRXNPFEDSA-N 1 0 316.405 0.850 20 10 DCCDRO Nc1ccc(CCNC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000841910971 671965092 /nfs/dbraw/zinc/96/50/92/671965092.db2.gz WCFRPCNOLMLEFZ-UHFFFAOYSA-N 1 0 306.410 0.833 20 10 DCCDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035998 671978242 /nfs/dbraw/zinc/97/82/42/671978242.db2.gz NLTZBDNWGDKTNS-UHFFFAOYSA-N 1 0 306.410 0.437 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000842074135 671980809 /nfs/dbraw/zinc/98/08/09/671980809.db2.gz ZDKRMSXASDSCIW-STQMWFEESA-N 1 0 320.437 0.572 20 10 DCCDRO C[NH2+]CCNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000842069796 671980886 /nfs/dbraw/zinc/98/08/86/671980886.db2.gz CPQSRODJIAWYOY-CYBMUJFWSA-N 1 0 320.437 0.444 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842201806 671993531 /nfs/dbraw/zinc/99/35/31/671993531.db2.gz CPHYZMWNFTXMSP-VXGBXAGGSA-N 1 0 306.410 0.641 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202906 671993916 /nfs/dbraw/zinc/99/39/16/671993916.db2.gz MGWJRPJTUZYBDI-STQMWFEESA-N 1 0 318.421 0.737 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000842202710 671994127 /nfs/dbraw/zinc/99/41/27/671994127.db2.gz KRUNGGXAZMTJCP-ABAIWWIYSA-N 1 0 318.421 0.783 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000842208545 671994680 /nfs/dbraw/zinc/99/46/80/671994680.db2.gz WVYNSCNQJGJDTH-UHFFFAOYSA-N 1 0 320.437 0.875 20 10 DCCDRO CN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842211927 671995626 /nfs/dbraw/zinc/99/56/26/671995626.db2.gz BJVPPVKJLKOUER-UHFFFAOYSA-N 1 0 304.394 0.320 20 10 DCCDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842219886 671995784 /nfs/dbraw/zinc/99/57/84/671995784.db2.gz UYMRYFLHWFHPPK-CYBMUJFWSA-N 1 0 320.437 0.774 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[NH3+] ZINC000842222857 671996276 /nfs/dbraw/zinc/99/62/76/671996276.db2.gz TZNZRPLNDSKHLG-UHFFFAOYSA-N 1 0 306.410 0.565 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000842226475 671997228 /nfs/dbraw/zinc/99/72/28/671997228.db2.gz QXZAUZRYXGHPMH-CQSZACIVSA-N 1 0 318.421 0.579 20 10 DCCDRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842235242 671998611 /nfs/dbraw/zinc/99/86/11/671998611.db2.gz FZAZUNWPSJJYNY-UHFFFAOYSA-N 1 0 320.437 0.726 20 10 DCCDRO C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842254680 672000766 /nfs/dbraw/zinc/00/07/66/672000766.db2.gz MOUGEEHVEVDTHF-LBPRGKRZSA-N 1 0 318.421 0.707 20 10 DCCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000843258458 672075593 /nfs/dbraw/zinc/07/55/93/672075593.db2.gz APAVCGDDDBMEFN-RYUDHWBXSA-N 1 0 306.410 0.611 20 10 DCCDRO CC(=O)NC(C)(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297801 672079853 /nfs/dbraw/zinc/07/98/53/672079853.db2.gz KCIHZYSZEAQOGS-AWEZNQCLSA-N 1 0 306.410 0.783 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN(C)C(=O)C2CC2)cc1 ZINC000843299106 672080356 /nfs/dbraw/zinc/08/03/56/672080356.db2.gz ROQIKMKAZDSCNO-OAHLLOKOSA-N 1 0 318.421 0.737 20 10 DCCDRO COc1cccc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1O ZINC000843428955 672094558 /nfs/dbraw/zinc/09/45/58/672094558.db2.gz PFVQGPUALWMXJE-LBPRGKRZSA-N 1 0 307.394 0.953 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)cc1 ZINC000846674048 672335916 /nfs/dbraw/zinc/33/59/16/672335916.db2.gz ZKHXRVCVBKKWNA-MRXNPFEDSA-N 1 0 320.437 0.623 20 10 DCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015102802 692192332 /nfs/dbraw/zinc/19/23/32/692192332.db2.gz LJAWXOBUIMDMAJ-GFCCVEGCSA-N 1 0 309.366 0.549 20 10 DCCDRO CNC(=O)C[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567083773 1160235282 /nfs/dbraw/zinc/23/52/82/1160235282.db2.gz SMEABAWPKFNDJF-VIFPVBQESA-N 1 0 320.353 0.303 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC001576051832 1164224321 /nfs/dbraw/zinc/22/43/21/1164224321.db2.gz DXQNMGICWXGCAW-ZBEGNZNMSA-N 1 0 308.378 0.901 20 10 DCCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001621432927 1166511433 /nfs/dbraw/zinc/51/14/33/1166511433.db2.gz DMINPPPHOZRURI-PWSUYJOCSA-N 1 0 305.783 0.947 20 10 DCCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C(N)=O)cc1C ZINC001725404866 1184807277 /nfs/dbraw/zinc/80/72/77/1184807277.db2.gz YCIORGSAVUAUAR-LBPRGKRZSA-N 1 0 307.394 0.863 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCNC2=O)cc1C ZINC001754237690 1188795766 /nfs/dbraw/zinc/79/57/66/1188795766.db2.gz QBGMBJGUEOSOHS-TZMCWYRMSA-N 1 0 319.405 0.734 20 10 DCCDRO COc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000697271681 749521899 /nfs/dbraw/zinc/52/18/99/749521899.db2.gz YHEYVDSDMQHIER-WCQYABFASA-N 1 0 301.364 0.302 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCO)C2)cc(OC)n1 ZINC001071646263 762018856 /nfs/dbraw/zinc/01/88/56/762018856.db2.gz VCMNRGLZTXPYAS-AAEUAGOBSA-N 1 0 323.393 0.674 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cc1C ZINC001048366894 754728802 /nfs/dbraw/zinc/72/88/02/754728802.db2.gz RPRQQPVNMCHSCX-GXTWGEPZSA-N 1 0 319.405 0.673 20 10 DCCDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)c1cc(O)c(O)c(O)c1 ZINC001148584031 768020105 /nfs/dbraw/zinc/02/01/05/768020105.db2.gz LGFNCLYTLIFXKY-VIFPVBQESA-N 1 0 316.317 0.592 20 10 DCCDRO Oc1ccc(CNc2nccc(N3CC[NH2+]CC3)n2)cc1O ZINC001169992775 761358876 /nfs/dbraw/zinc/35/88/76/761358876.db2.gz FHPINBYXFLSCDQ-UHFFFAOYSA-N 1 0 301.350 0.910 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@]2(C)CNC(=O)C2)cc1C ZINC001131690112 763940429 /nfs/dbraw/zinc/94/04/29/763940429.db2.gz QRLZNUADJLJWTL-QGZVFWFLSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2nnn(C)n2)cc1C ZINC001132527265 764498410 /nfs/dbraw/zinc/49/84/10/764498410.db2.gz SQAKYSADGGJVBN-UHFFFAOYSA-N 1 0 304.354 0.047 20 10 DCCDRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001119423325 766674539 /nfs/dbraw/zinc/67/45/39/766674539.db2.gz MCHCCIQBWWAQQJ-UHFFFAOYSA-N 1 0 315.373 0.660 20 10 DCCDRO CCOC(=O)[C@H]1CN(Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144503868 766960150 /nfs/dbraw/zinc/96/01/50/766960150.db2.gz GLDXDBZRKHHBGJ-NSHDSACASA-N 1 0 309.318 0.758 20 10 DCCDRO Oc1cc(O)c(C[NH+]2CCN(c3ncncn3)CC2)c(O)c1 ZINC001144516102 766966156 /nfs/dbraw/zinc/96/61/56/766966156.db2.gz PKMMOBRLKWXQOG-UHFFFAOYSA-N 1 0 303.322 0.311 20 10 DCCDRO CN(C1CC[NH+](Cc2cc(O)ccc2O)CC1)S(C)(=O)=O ZINC001141159985 768570357 /nfs/dbraw/zinc/57/03/57/768570357.db2.gz OEFSHSFFNMXVKM-UHFFFAOYSA-N 1 0 314.407 0.954 20 10 DCCDRO CN(C)C(=O)CN1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232838616 769336114 /nfs/dbraw/zinc/33/61/14/769336114.db2.gz HPSFGEJMXITORE-UHFFFAOYSA-N 1 0 320.437 0.664 20 10 DCCDRO COC(=O)Cc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234995588 769739312 /nfs/dbraw/zinc/73/93/12/769739312.db2.gz XERVVUFMLYNLON-KRWDZBQOSA-N 1 0 319.405 0.245 20 10 DCCDRO C[NH+](C)CCn1nccc1C(=O)NCc1cc(O)ccc1O ZINC001153884984 769982650 /nfs/dbraw/zinc/98/26/50/769982650.db2.gz IJPGYECBAIOJLG-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO COC(=O)Cc1ccc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)OC)c(O)c1 ZINC001236202337 769984299 /nfs/dbraw/zinc/98/42/99/769984299.db2.gz QWLUSBPKBPBYRL-STQMWFEESA-N 1 0 322.361 0.182 20 10 DCCDRO C[NH+]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237201720 770035127 /nfs/dbraw/zinc/03/51/27/770035127.db2.gz ALNITJHPOWENJH-UHFFFAOYSA-N 1 0 323.462 0.669 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC[NH3+] ZINC001239084688 770176778 /nfs/dbraw/zinc/17/67/78/770176778.db2.gz VNAPBARQUNPUEZ-UHFFFAOYSA-N 1 0 313.423 0.244 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 ZINC001181591827 771312880 /nfs/dbraw/zinc/31/28/80/771312880.db2.gz VQQPZIZJFCTZJV-MEDUHNTESA-N 1 0 319.361 0.869 20 10 DCCDRO CN1CCN(C)C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001203877137 772928235 /nfs/dbraw/zinc/92/82/35/772928235.db2.gz NCVCYWGFZIREOP-UHFFFAOYSA-N 1 0 319.405 0.836 20 10 DCCDRO CCOC(=O)c1c(CN2C[C@@H]([NH3+])[C@H](O)C2)c2ccccc2n1C ZINC001205363792 772989394 /nfs/dbraw/zinc/98/93/94/772989394.db2.gz SECSYZDFLTXEPT-UKRRQHHQSA-N 1 0 317.389 0.859 20 10 DCCDRO COc1cc(O)c(CN2C[C@@H]([NH3+])[C@H](O)C2)cc1Br ZINC001205363767 772989453 /nfs/dbraw/zinc/98/94/53/772989453.db2.gz RFMXKAUEMNSNLE-MWLCHTKSSA-N 1 0 317.183 0.667 20 10 DCCDRO C[NH+]1CCC(CO)(NC(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193255313 773033182 /nfs/dbraw/zinc/03/31/82/773033182.db2.gz UMACUVIKETWELA-UHFFFAOYSA-N 1 0 314.769 0.938 20 10 DCCDRO Nc1ccc(CN[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)cc1 ZINC001246172461 945356042 /nfs/dbraw/zinc/35/60/42/945356042.db2.gz RURWFXSCRVNOQH-KGLIPLIRSA-N 1 0 306.435 0.622 20 10 DCCDRO C[NH+](C)CCN1C(=O)COCC12CN(Cc1ccccc1O)C2 ZINC001272619248 942871660 /nfs/dbraw/zinc/87/16/60/942871660.db2.gz SSFNBVUDMGTZGI-UHFFFAOYSA-N 1 0 319.405 0.367 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c(Cl)c1 ZINC001462255137 1013056026 /nfs/dbraw/zinc/05/60/26/1013056026.db2.gz RCPSIXZHTVYGNH-CYBMUJFWSA-N 1 0 319.810 0.993 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c(Cl)c1 ZINC001462255156 1013057205 /nfs/dbraw/zinc/05/72/05/1013057205.db2.gz RCPSIXZHTVYGNH-ZDUSSCGKSA-N 1 0 319.810 0.993 20 10 DCCDRO Cn1nnnc1NC(=O)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277440787 944819576 /nfs/dbraw/zinc/81/95/76/944819576.db2.gz FGSSZPQTGLIJKC-LLVKDONJSA-N 1 0 314.349 0.376 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1 ZINC001249178430 945625293 /nfs/dbraw/zinc/62/52/93/945625293.db2.gz RDJHHRYALANKRL-MRXNPFEDSA-N 1 0 309.362 0.691 20 10 DCCDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001299734241 947232270 /nfs/dbraw/zinc/23/22/70/947232270.db2.gz AEFHTTBTMRFONC-CYBMUJFWSA-N 1 0 308.378 0.867 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC001326875940 948314795 /nfs/dbraw/zinc/31/47/95/948314795.db2.gz UXBFAYGDKBAOOD-UHFFFAOYSA-N 1 0 319.405 0.938 20 10 DCCDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001330080832 950109550 /nfs/dbraw/zinc/10/95/50/950109550.db2.gz DFBJMKCNKRNDLH-YVEFUNNKSA-N 1 0 315.373 0.302 20 10 DCCDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001330368415 950316667 /nfs/dbraw/zinc/31/66/67/950316667.db2.gz FWEHJPCYNOJBLE-CYBMUJFWSA-N 1 0 317.389 0.835 20 10 DCCDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c(F)ccc(O)c1O ZINC001330626714 950555865 /nfs/dbraw/zinc/55/58/65/950555865.db2.gz CFPAVXGIFPJMER-JTQLQIEISA-N 1 0 312.341 0.814 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332238914 951538240 /nfs/dbraw/zinc/53/82/40/951538240.db2.gz QJZCMGKNFPZEIF-HEHGZKQESA-N 1 0 319.380 0.886 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1[NH3+] ZINC001335710659 952586557 /nfs/dbraw/zinc/58/65/57/952586557.db2.gz BYSNHCFIWDHIIS-MFKMUULPSA-N 1 0 303.362 0.430 20 10 DCCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1C(=O)OC ZINC001343333032 953338576 /nfs/dbraw/zinc/33/85/76/953338576.db2.gz LSWQXDFFWDOMKE-BETUJISGSA-N 1 0 323.345 0.795 20 10 DCCDRO C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC001346768834 953957533 /nfs/dbraw/zinc/95/75/33/953957533.db2.gz ZWAUOALATXAJBM-RISCZKNCSA-N 1 0 324.400 0.965 20 10 DCCDRO [NH3+]C1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC001350045426 954973948 /nfs/dbraw/zinc/97/39/48/954973948.db2.gz IRXJHEPVQXAYHY-UHFFFAOYSA-N 1 0 303.362 0.622 20 10 DCCDRO [NH3+]C1CCN(CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001353467606 956071134 /nfs/dbraw/zinc/07/11/34/956071134.db2.gz OQNUXDHEGMKNCR-UHFFFAOYSA-N 1 0 304.394 0.841 20 10 DCCDRO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H](C)[N@H+]1CCO ZINC001353538833 956097609 /nfs/dbraw/zinc/09/76/09/956097609.db2.gz DNIHWPHFYUAUKV-BETUJISGSA-N 1 0 306.410 0.865 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001292514458 956993085 /nfs/dbraw/zinc/99/30/85/956993085.db2.gz HHRXONQWHFLBAE-UONOGXRCSA-N 1 0 320.389 0.698 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001296246103 957937322 /nfs/dbraw/zinc/93/73/22/957937322.db2.gz KYZMHVNDTRQOAM-IACUBPJLSA-N 1 0 322.405 0.990 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC(N)=O)cc1C ZINC001507055248 1015929624 /nfs/dbraw/zinc/92/96/24/1015929624.db2.gz KBVWOKAWYQAFME-LBPRGKRZSA-N 1 0 307.394 0.816 20 10 DCCDRO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(O)c1O ZINC001558159365 1012327702 /nfs/dbraw/zinc/32/77/02/1012327702.db2.gz ZPLXWVIFQYFKAV-NWDGAFQWSA-N 1 0 306.362 0.687 20 10 DCCDRO S=C1NCCN1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001461837425 1013044103 /nfs/dbraw/zinc/04/41/03/1013044103.db2.gz JVZRMCICPQNHJX-UHFFFAOYSA-N 1 0 320.462 0.803 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@@]3(C)C[C@H](O)C[NH2+]3)ccc21 ZINC001521465198 1017379509 /nfs/dbraw/zinc/37/95/09/1017379509.db2.gz ZPFMPZGNFQHIOM-WMLDXEAASA-N 1 0 303.406 0.798 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000367045891 529782019 /nfs/dbraw/zinc/78/20/19/529782019.db2.gz QJATVNJUNBNXHZ-MRXNPFEDSA-N 1 0 320.412 0.898 20 10 DCCDRO CO[C@H](C[NH3+])CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000278355298 533148403 /nfs/dbraw/zinc/14/84/03/533148403.db2.gz ZWSQGMAOIZDKSL-INIZCTEOSA-N 1 0 321.421 0.845 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC)cc2F)CC1 ZINC000285279879 131153883 /nfs/dbraw/zinc/15/38/83/131153883.db2.gz QDIJAGSGVWGDFU-UHFFFAOYSA-N 1 0 322.384 0.330 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc1F ZINC000269275807 396403081 /nfs/dbraw/zinc/40/30/81/396403081.db2.gz WWTWFGXOARTZEF-GXTWGEPZSA-N 1 0 323.368 0.206 20 10 DCCDRO COc1cccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000289559888 278010306 /nfs/dbraw/zinc/01/03/06/278010306.db2.gz YKWLGIGDSZUCSB-UHFFFAOYSA-N 1 0 319.361 0.917 20 10 DCCDRO COCCOCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608049 660951355 /nfs/dbraw/zinc/95/13/55/660951355.db2.gz ODFNLNOUWPBSAO-UHFFFAOYSA-N 1 0 321.421 0.718 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2COCCO2)[NH+](C)C)cc1 ZINC000891251629 658090233 /nfs/dbraw/zinc/09/02/33/658090233.db2.gz CMSKSLHTPMMLAD-HZPDHXFCSA-N 1 0 321.421 0.887 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCN2CCN(C(C)=O)CC2)c1O ZINC000894175044 661642554 /nfs/dbraw/zinc/64/25/54/661642554.db2.gz CAPQZAVRYROARI-UHFFFAOYSA-N 1 0 321.421 0.963 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)C(F)(F)F)cc1 ZINC000841846797 661659455 /nfs/dbraw/zinc/65/94/55/661659455.db2.gz VLIAAKQHMNIIKZ-MNOVXSKESA-N 1 0 304.316 0.758 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000895314950 662166008 /nfs/dbraw/zinc/16/60/08/662166008.db2.gz UKQOYKVNFDGEPD-ZIAGYGMSSA-N 1 0 304.394 0.080 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1 ZINC000895812641 662219452 /nfs/dbraw/zinc/21/94/52/662219452.db2.gz UUPPZNYHNSAFDZ-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO Cc1cccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1O ZINC000896312271 662259585 /nfs/dbraw/zinc/25/95/85/662259585.db2.gz FLFGXBBVIDCKCM-UHFFFAOYSA-N 1 0 320.436 0.848 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H](N)C(F)F)cc1 ZINC000911667977 664097156 /nfs/dbraw/zinc/09/71/56/664097156.db2.gz VVGQBJGABZENNF-RYUDHWBXSA-N 1 0 300.353 0.851 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)ccc2=O)cc1 ZINC000911667893 664097339 /nfs/dbraw/zinc/09/73/39/664097339.db2.gz SYYQZZJJXFRAPA-HNNXBMFYSA-N 1 0 314.389 0.881 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)C2)cc(OC)n1 ZINC001015105386 664689655 /nfs/dbraw/zinc/68/96/55/664689655.db2.gz VZYFJFWSLHWXSM-PWSUYJOCSA-N 1 0 309.366 0.284 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)C2)cc(OC)n1 ZINC001015105385 664689673 /nfs/dbraw/zinc/68/96/73/664689673.db2.gz VZYFJFWSLHWXSM-JQWIXIFHSA-N 1 0 309.366 0.284 20 10 DCCDRO COc1cccc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)c1O ZINC000922616862 666495794 /nfs/dbraw/zinc/49/57/94/666495794.db2.gz VGMROTXFCQGHIP-AWEZNQCLSA-N 1 0 315.391 0.694 20 10 DCCDRO C[C@H](O)C[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032219297 666521555 /nfs/dbraw/zinc/52/15/55/666521555.db2.gz SZBGEGJYPGCBGT-JTQLQIEISA-N 1 0 319.365 0.891 20 10 DCCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1COCC[NH2+]1 ZINC000861589637 666947704 /nfs/dbraw/zinc/94/77/04/666947704.db2.gz CQBXAWAGMIGLJU-OAHLLOKOSA-N 1 0 316.405 0.850 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)cc(OC)n1 ZINC001034289071 666978916 /nfs/dbraw/zinc/97/89/16/666978916.db2.gz RGCUCDQGRQHZJZ-CYBMUJFWSA-N 1 0 323.393 0.675 20 10 DCCDRO COc1cccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1O ZINC000865798579 667348410 /nfs/dbraw/zinc/34/84/10/667348410.db2.gz VSNDYABUMQRQGF-MRXNPFEDSA-N 1 0 322.361 0.118 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C[NH3+])OC)C2)cc1 ZINC000884368666 667532498 /nfs/dbraw/zinc/53/24/98/667532498.db2.gz FEMJGFNVTVPNMN-DOMZBBRYSA-N 1 0 307.394 0.611 20 10 DCCDRO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000868235678 667546299 /nfs/dbraw/zinc/54/62/99/667546299.db2.gz DSFWWPXMQSBFQQ-OLZOCXBDSA-N 1 0 306.410 0.998 20 10 DCCDRO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839199197 667736554 /nfs/dbraw/zinc/73/65/54/667736554.db2.gz MAFMFPXMQCDPIW-LSDHHAIUSA-N 1 0 307.394 0.372 20 10 DCCDRO COc1cccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000761215928 668313983 /nfs/dbraw/zinc/31/39/83/668313983.db2.gz KNEGSRVMHPBYRB-UHFFFAOYSA-N 1 0 305.334 0.575 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000764157715 668436144 /nfs/dbraw/zinc/43/61/44/668436144.db2.gz SEKFOAOAYQUXTR-WFASDCNBSA-N 1 0 319.405 0.968 20 10 DCCDRO O=C(CN1CC[NH2+]CC1)NCCCSc1nccs1 ZINC000876662378 668484109 /nfs/dbraw/zinc/48/41/09/668484109.db2.gz NXAAPPUXOSNJJT-UHFFFAOYSA-N 1 0 300.453 0.647 20 10 DCCDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(O)c1 ZINC000769467994 668649265 /nfs/dbraw/zinc/64/92/65/668649265.db2.gz CXDZAVNDUZEGQA-OAHLLOKOSA-N 1 0 324.421 0.916 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1 ZINC000775370784 668861507 /nfs/dbraw/zinc/86/15/07/668861507.db2.gz IIAKPKNFWUYEAK-MNOVXSKESA-N 1 0 323.393 0.644 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC000789770146 669507800 /nfs/dbraw/zinc/50/78/00/669507800.db2.gz RPJSTMSCNBBGTL-MRXNPFEDSA-N 1 0 319.361 0.965 20 10 DCCDRO COCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000041981195 669825640 /nfs/dbraw/zinc/82/56/40/669825640.db2.gz JGHAHFCVTJLJEL-UHFFFAOYSA-N 1 0 321.421 0.970 20 10 DCCDRO C[NH2+][C@@H](C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000848414660 670679886 /nfs/dbraw/zinc/67/98/86/670679886.db2.gz AZKGDZVFBAVVIV-AWEZNQCLSA-N 1 0 320.437 0.541 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCN(c3nncn3C)CC2)c1 ZINC000848925302 670741300 /nfs/dbraw/zinc/74/13/00/670741300.db2.gz SCGXGEZEZWRDTA-UHFFFAOYSA-N 1 0 303.366 0.852 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000817949584 670955993 /nfs/dbraw/zinc/95/59/93/670955993.db2.gz KPHBWSNPHYIDSS-TZMCWYRMSA-N 1 0 319.405 0.936 20 10 DCCDRO CC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000109773486 670969894 /nfs/dbraw/zinc/96/98/94/670969894.db2.gz KEJFGNZYKLHTEC-UHFFFAOYSA-N 1 0 319.405 0.951 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCC[NH3+] ZINC000852916650 671194181 /nfs/dbraw/zinc/19/41/81/671194181.db2.gz ORQCPOTVJXZKHI-UHFFFAOYSA-N 1 0 307.394 0.938 20 10 DCCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c(O)cccc1OC ZINC000824678722 671436800 /nfs/dbraw/zinc/43/68/00/671436800.db2.gz VGGHPLOUUZNLAL-JTQLQIEISA-N 1 0 302.396 0.818 20 10 DCCDRO COc1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)c(O)c1 ZINC000832178082 671707256 /nfs/dbraw/zinc/70/72/56/671707256.db2.gz NAXCLSIEXUKXMC-UHFFFAOYSA-N 1 0 305.338 0.271 20 10 DCCDRO CNC(=O)C1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC000832274593 671713010 /nfs/dbraw/zinc/71/30/10/671713010.db2.gz WDIAVIBSCLGOCY-CQSZACIVSA-N 1 0 318.421 0.785 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCCNC(N)=O)cc1 ZINC000832280201 671713114 /nfs/dbraw/zinc/71/31/14/671713114.db2.gz NUFLNEDRYBOOOR-AWEZNQCLSA-N 1 0 321.425 0.707 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CSCC2=O)cc1 ZINC000832285793 671713477 /nfs/dbraw/zinc/71/34/77/671713477.db2.gz UKMCDDOXVLPXAZ-CYBMUJFWSA-N 1 0 322.434 0.402 20 10 DCCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000835046064 671786982 /nfs/dbraw/zinc/78/69/82/671786982.db2.gz RERNNYWMOQBRRF-VQTKUKTRSA-N 1 0 302.378 0.986 20 10 DCCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711386 671951541 /nfs/dbraw/zinc/95/15/41/671951541.db2.gz BAENXIAWNQOSML-NSHDSACASA-N 1 0 310.373 0.809 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC000841729118 671951871 /nfs/dbraw/zinc/95/18/71/671951871.db2.gz BKMODBXCNNZJND-UHFFFAOYSA-N 1 0 304.394 0.638 20 10 DCCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841959108 671968927 /nfs/dbraw/zinc/96/89/27/671968927.db2.gz KVNIZVKWEKFDGA-UONOGXRCSA-N 1 0 320.437 0.908 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000842011171 671973501 /nfs/dbraw/zinc/97/35/01/671973501.db2.gz LZIVFMIAIHJJGI-JQWIXIFHSA-N 1 0 309.366 0.749 20 10 DCCDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035020 671977600 /nfs/dbraw/zinc/97/76/00/671977600.db2.gz BGXKUTOQOFBISC-QWHCGFSZSA-N 1 0 318.421 0.578 20 10 DCCDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036171 671977911 /nfs/dbraw/zinc/97/79/11/671977911.db2.gz KUTOPGVKPSFXHF-OCCSQVGLSA-N 1 0 318.421 0.565 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1F ZINC000842147215 671985767 /nfs/dbraw/zinc/98/57/67/671985767.db2.gz CSFVPWJKWYVMKE-GFCCVEGCSA-N 1 0 322.384 0.458 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000842153239 671986596 /nfs/dbraw/zinc/98/65/96/671986596.db2.gz MQUPPSHJFQJAOV-OAHLLOKOSA-N 1 0 318.421 0.531 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842202150 671994232 /nfs/dbraw/zinc/99/42/32/671994232.db2.gz DSWFGFWYYQASCN-TZMCWYRMSA-N 1 0 318.421 0.798 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842202145 671994247 /nfs/dbraw/zinc/99/42/47/671994247.db2.gz DSWFGFWYYQASCN-GXTWGEPZSA-N 1 0 318.421 0.798 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000842267421 672001939 /nfs/dbraw/zinc/00/19/39/672001939.db2.gz XNYBFZJTBSCDKG-UHFFFAOYSA-N 1 0 318.421 0.709 20 10 DCCDRO O=C1N[C@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]2CO1 ZINC000842644921 672024939 /nfs/dbraw/zinc/02/49/39/672024939.db2.gz TUSXPYFLYQMKNJ-LQJRIPTKSA-N 1 0 320.345 0.748 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)N(C)C2CC2)cc1 ZINC000842783701 672036972 /nfs/dbraw/zinc/03/69/72/672036972.db2.gz BMCJEIUEPJDGIH-AWEZNQCLSA-N 1 0 312.439 0.681 20 10 DCCDRO COc1cccc(O)c1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846011088 672289402 /nfs/dbraw/zinc/28/94/02/672289402.db2.gz KGAWHMLYAHUJIQ-UHFFFAOYSA-N 1 0 307.394 0.607 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000846678030 672336234 /nfs/dbraw/zinc/33/62/34/672336234.db2.gz VJRGGYLWOCPBGP-GDLVEWKHSA-N 1 0 306.362 0.814 20 10 DCCDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000902618068 685457398 /nfs/dbraw/zinc/45/73/98/685457398.db2.gz ZLBAXYVCLRZGKS-KHIZAZIESA-N 1 0 318.373 0.905 20 10 DCCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)C(N)=O)C2)cc1C ZINC000962250193 688861081 /nfs/dbraw/zinc/86/10/81/688861081.db2.gz UFDQEPHHNBTMKN-UHFFFAOYSA-N 1 0 305.378 0.473 20 10 DCCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015102803 692192287 /nfs/dbraw/zinc/19/22/87/692192287.db2.gz LJAWXOBUIMDMAJ-LBPRGKRZSA-N 1 0 309.366 0.549 20 10 DCCDRO COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001578873724 1165145984 /nfs/dbraw/zinc/14/59/84/1165145984.db2.gz HFNOPSANEQHFOB-LLVKDONJSA-N 1 0 315.329 0.806 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O ZINC001597574865 1168009674 /nfs/dbraw/zinc/00/96/74/1168009674.db2.gz UUGXSDRWALQOQX-NSHDSACASA-N 1 0 321.377 0.124 20 10 DCCDRO C[NH+]1CCN(CCCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001628760371 1171535073 /nfs/dbraw/zinc/53/50/73/1171535073.db2.gz KOYKJTCNHARWIE-UHFFFAOYSA-N 1 0 307.394 0.394 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cocn2)cc1C ZINC001667796038 1174713644 /nfs/dbraw/zinc/71/36/44/1174713644.db2.gz PYWREQQIIWCCLG-ZDUSSCGKSA-N 1 0 319.361 0.872 20 10 DCCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)[NH2+]CCO ZINC001700433138 1178615246 /nfs/dbraw/zinc/61/52/46/1178615246.db2.gz YSVCUXOSSBJRJS-NXEZZACHSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001717097064 1182675586 /nfs/dbraw/zinc/67/55/86/1182675586.db2.gz LYJHEEDSDAAFIO-CYBMUJFWSA-N 1 0 319.405 0.817 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C(N)=O)cc1C ZINC001717736282 1182973290 /nfs/dbraw/zinc/97/32/90/1182973290.db2.gz OHDOMKYTHKKOMK-CQSZACIVSA-N 1 0 319.405 0.816 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCNC(=O)C2)cc1C ZINC001125630827 747434504 /nfs/dbraw/zinc/43/45/04/747434504.db2.gz NVEWCCZDUQCMOS-CQSZACIVSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C)cc1C ZINC001125944403 748129736 /nfs/dbraw/zinc/12/97/36/748129736.db2.gz BHOCJTLOESOYAY-HNNXBMFYSA-N 1 0 321.421 0.540 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001118511228 766340566 /nfs/dbraw/zinc/34/05/66/766340566.db2.gz RUQUCOVHFARZJG-VXGBXAGGSA-N 1 0 309.341 0.248 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CSCN3)cc2)CC1 ZINC001119316570 766632987 /nfs/dbraw/zinc/63/29/87/766632987.db2.gz OUNYBTRYXWBPHP-HNNXBMFYSA-N 1 0 320.462 0.717 20 10 DCCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N)cc2)[C@H](C)C1 ZINC001120591586 767089467 /nfs/dbraw/zinc/08/94/67/767089467.db2.gz BNEIEKCGRUUQCD-OLZOCXBDSA-N 1 0 306.410 0.865 20 10 DCCDRO Nc1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC001120676900 767133819 /nfs/dbraw/zinc/13/38/19/767133819.db2.gz FZVIIFOHQNPQAM-HNNXBMFYSA-N 1 0 306.410 0.915 20 10 DCCDRO CCNC(=O)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047733 769704620 /nfs/dbraw/zinc/70/46/20/769704620.db2.gz KKYOJBFBSMUAKJ-UHFFFAOYSA-N 1 0 320.353 0.305 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(N(C)C)cc1OC ZINC001236200833 769984449 /nfs/dbraw/zinc/98/44/49/769984449.db2.gz KOWNABSKNDCCPX-OCCSQVGLSA-N 1 0 307.394 0.836 20 10 DCCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC(=O)N1 ZINC001236933665 770024148 /nfs/dbraw/zinc/02/41/48/770024148.db2.gz ZGOYSWISYSKLKH-CYBMUJFWSA-N 1 0 320.412 0.898 20 10 DCCDRO O=S(=O)(CC1CC[NH2+]CC1)NCc1cccc(O)c1O ZINC001238680451 770125904 /nfs/dbraw/zinc/12/59/04/770125904.db2.gz IZWJHOUERXJPLY-UHFFFAOYSA-N 1 0 300.380 0.517 20 10 DCCDRO [NH3+]CCS(=O)(=O)NCc1cc(Br)ccc1O ZINC001238677258 770126001 /nfs/dbraw/zinc/12/60/01/770126001.db2.gz CZHXFWOFJFKPRL-UHFFFAOYSA-N 1 0 309.185 0.533 20 10 DCCDRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC001178730716 770848197 /nfs/dbraw/zinc/84/81/97/770848197.db2.gz GNYSAGRXZPAYBU-GFCCVEGCSA-N 1 0 305.783 0.685 20 10 DCCDRO NC(=O)C1CC[NH+](CCC(=O)NCc2ccccc2O)CC1 ZINC001180612512 771149424 /nfs/dbraw/zinc/14/94/24/771149424.db2.gz QAUBMMKSDPFQTB-UHFFFAOYSA-N 1 0 305.378 0.596 20 10 DCCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)C(N)=O)CC2)cc1C ZINC001166929500 772883026 /nfs/dbraw/zinc/88/30/26/772883026.db2.gz ZJRYNIKPECJBOR-UHFFFAOYSA-N 1 0 319.405 0.865 20 10 DCCDRO Oc1cc(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc(O)c1O ZINC001222684532 775414295 /nfs/dbraw/zinc/41/42/95/775414295.db2.gz HZOXELFHZCQSFN-INIZCTEOSA-N 1 0 307.394 0.721 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2(C(N)=O)CC2)cc1C ZINC001266967515 939293202 /nfs/dbraw/zinc/29/32/02/939293202.db2.gz MKGAYIRKGJZQKD-GFCCVEGCSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ncc[nH]2)cc1C ZINC001272406801 942737833 /nfs/dbraw/zinc/73/78/33/942737833.db2.gz QCKZAFVCBYBMJD-ZDUSSCGKSA-N 1 0 318.377 0.607 20 10 DCCDRO O=C(NCC1COC1)[C@@H]1CC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001277192356 944699094 /nfs/dbraw/zinc/69/90/94/944699094.db2.gz MURFSQJVLIMZHT-AWEZNQCLSA-N 1 0 318.373 0.682 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC001249208631 945623547 /nfs/dbraw/zinc/62/35/47/945623547.db2.gz ZMOZGEJIYXLRCQ-CYBMUJFWSA-N 1 0 320.345 0.744 20 10 DCCDRO COC(=O)Cc1ccc(CN2CCOC[C@H]2C[NH+](C)C)c(O)c1 ZINC001249214944 945623814 /nfs/dbraw/zinc/62/38/14/945623814.db2.gz SSMISVUQBAKSKE-OAHLLOKOSA-N 1 0 322.405 0.870 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001249178014 945624911 /nfs/dbraw/zinc/62/49/11/945624911.db2.gz NKLRIHPCXUGDLZ-WBVHZDCISA-N 1 0 323.389 0.673 20 10 DCCDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001261379235 947264429 /nfs/dbraw/zinc/26/44/29/947264429.db2.gz WWMQOVUSGBEEQK-LBPRGKRZSA-N 1 0 306.410 0.341 20 10 DCCDRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331184022 951000523 /nfs/dbraw/zinc/00/05/23/951000523.db2.gz DJQFAFPMCPDIRI-LBPRGKRZSA-N 1 0 303.362 0.493 20 10 DCCDRO CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CC[NH2+]C1 ZINC001331235643 951036408 /nfs/dbraw/zinc/03/64/08/951036408.db2.gz ZNOTZKYROGWXTA-LBPRGKRZSA-N 1 0 303.362 0.445 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cnn(C)c2)c(O)c1OC ZINC001333740725 952143341 /nfs/dbraw/zinc/14/33/41/952143341.db2.gz OIBHXJOQLCWOMB-GFCCVEGCSA-N 1 0 307.350 0.966 20 10 DCCDRO CC[NH+]1CCC(NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001336081559 952641300 /nfs/dbraw/zinc/64/13/00/952641300.db2.gz YDICHPHWNHNYJY-UHFFFAOYSA-N 1 0 317.389 0.835 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC[NH3+] ZINC001345190087 953612803 /nfs/dbraw/zinc/61/28/03/953612803.db2.gz JYVOYBZVAZLXIW-UHFFFAOYSA-N 1 0 320.437 0.956 20 10 DCCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347782850 954164253 /nfs/dbraw/zinc/16/42/53/954164253.db2.gz UBIJLYPKMAHWDA-LBPRGKRZSA-N 1 0 308.401 0.931 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001357362048 957255668 /nfs/dbraw/zinc/25/56/68/957255668.db2.gz MUKFKSGRMRROCC-XJKSGUPXSA-N 1 0 321.421 0.356 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c(O)c1 ZINC001560873481 1012455016 /nfs/dbraw/zinc/45/50/16/1012455016.db2.gz QYFHJIMGOVZYER-UKRRQHHQSA-N 1 0 306.362 0.799 20 10 DCCDRO COc1cc(C)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c(O)c1 ZINC001560925190 1012459253 /nfs/dbraw/zinc/45/92/53/1012459253.db2.gz DXBSDHRKPJKLCA-TZMCWYRMSA-N 1 0 315.391 0.611 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]CCn3cncn3)cc2F)CC1 ZINC001461188046 1013011761 /nfs/dbraw/zinc/01/17/61/1013011761.db2.gz GZQCKTFEEFCRRC-UHFFFAOYSA-N 1 0 318.400 0.959 20 10 DCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001521932384 1017419657 /nfs/dbraw/zinc/41/96/57/1017419657.db2.gz VJPZNMMZUVBEJJ-XEZPLFJOSA-N 1 0 321.421 0.607 20 10 DCCDRO CC(C)[C@](C)([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(N)=O ZINC000298478686 132064683 /nfs/dbraw/zinc/06/46/83/132064683.db2.gz IZMPFYVUBFELBJ-KRWDZBQOSA-N 1 0 320.437 0.858 20 10 DCCDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)N1 ZINC000279339543 396166598 /nfs/dbraw/zinc/16/65/98/396166598.db2.gz DZHHOWYKOSCORD-HNNXBMFYSA-N 1 0 319.317 0.295 20 10 DCCDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000193040528 396442297 /nfs/dbraw/zinc/44/22/97/396442297.db2.gz GZNRTYFZLMWYEL-CYBMUJFWSA-N 1 0 319.405 0.950 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H](C)[NH3+])CC2)cc1 ZINC000272505276 334035866 /nfs/dbraw/zinc/03/58/66/334035866.db2.gz WOEUNDJPUUPBDM-CYBMUJFWSA-N 1 0 306.410 0.281 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237221694 523265336 /nfs/dbraw/zinc/26/53/36/523265336.db2.gz CZQAWTFXYSVSGJ-INIZCTEOSA-N 1 0 319.405 0.470 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000230666890 664623120 /nfs/dbraw/zinc/62/31/20/664623120.db2.gz UHUBOVFYLXWDBP-SNVBAGLBSA-N 1 0 302.396 0.991 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCC(N)=O)[NH+](C)C)cc1 ZINC000891782737 657746305 /nfs/dbraw/zinc/74/63/05/657746305.db2.gz XGFDMJOZEQBKSW-CQSZACIVSA-N 1 0 321.425 0.530 20 10 DCCDRO COc1ccc(CN2CC[NH+](C[C@H](C)O)CC2)c(O)c1OC ZINC000891923531 657919905 /nfs/dbraw/zinc/91/99/05/657919905.db2.gz GGQMSADLEXPCOU-LBPRGKRZSA-N 1 0 310.394 0.908 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2COC(=O)N2)[NH+](C)C)cc1 ZINC000891246471 658078390 /nfs/dbraw/zinc/07/83/90/658078390.db2.gz OEPOXQJQAXNRML-KGLIPLIRSA-N 1 0 320.393 0.580 20 10 DCCDRO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000842091116 661656128 /nfs/dbraw/zinc/65/61/28/661656128.db2.gz ANOGBGFFBZLOKG-SECBINFHSA-N 1 0 314.436 0.301 20 10 DCCDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC000895314284 662166154 /nfs/dbraw/zinc/16/61/54/662166154.db2.gz KWILDSPLTQMFJW-JQBDECOXSA-N 1 0 316.405 0.284 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cc1C ZINC000989400313 662910530 /nfs/dbraw/zinc/91/05/30/662910530.db2.gz XCMOTDSATQIULU-YPMHNXCESA-N 1 0 305.378 0.568 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1 ZINC000903969420 663499575 /nfs/dbraw/zinc/49/95/75/663499575.db2.gz YFLNNPKZPQQNKS-HNNXBMFYSA-N 1 0 311.451 0.619 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911504914 664066503 /nfs/dbraw/zinc/06/65/03/664066503.db2.gz PGXBYTQSLNXOLR-UHFFFAOYSA-N 1 0 305.378 0.738 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3n(n2)CCO3)cc1 ZINC000911667283 664096675 /nfs/dbraw/zinc/09/66/75/664096675.db2.gz PPAMDEWMWFZQCD-ZDUSSCGKSA-N 1 0 315.377 0.771 20 10 DCCDRO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153129873 664794001 /nfs/dbraw/zinc/79/40/01/664794001.db2.gz NPJVKGZNYWEWIW-GFCCVEGCSA-N 1 0 320.393 0.538 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1F ZINC000922823184 666535339 /nfs/dbraw/zinc/53/53/39/666535339.db2.gz PXANRWMIKUAHLA-LLVKDONJSA-N 1 0 304.387 0.387 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000861680816 666957764 /nfs/dbraw/zinc/95/77/64/666957764.db2.gz KVMZIFIFTQQVQS-CQSZACIVSA-N 1 0 306.410 0.882 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713163 666963286 /nfs/dbraw/zinc/96/32/86/666963286.db2.gz AFTFPPRDPKUQST-OHSUWHJDSA-N 1 0 318.373 0.779 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(C(N)=O)CCCC2)cc1 ZINC000839521355 667750337 /nfs/dbraw/zinc/75/03/37/667750337.db2.gz VLKUCVDXDVCLRI-UHFFFAOYSA-N 1 0 318.421 0.757 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000763066783 668395441 /nfs/dbraw/zinc/39/54/41/668395441.db2.gz HUKBIUCHITVIHX-KRWDZBQOSA-N 1 0 320.437 0.927 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)CCNC2=O)cc1 ZINC000876505938 668457323 /nfs/dbraw/zinc/45/73/23/668457323.db2.gz CXFBPOMEPUTPHZ-BBRMVZONSA-N 1 0 304.394 0.395 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)CCC(=O)N2)cc1 ZINC000876507110 668457848 /nfs/dbraw/zinc/45/78/48/668457848.db2.gz VSCYNPZCVPDVKB-BBRMVZONSA-N 1 0 304.394 0.537 20 10 DCCDRO COc1cncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000876506244 668457997 /nfs/dbraw/zinc/45/79/97/668457997.db2.gz HPUJHKDBBVBTMF-ZDUSSCGKSA-N 1 0 315.377 0.981 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(=O)n(C)cn2)cc1 ZINC000876506153 668458056 /nfs/dbraw/zinc/45/80/56/668458056.db2.gz GCBYBEAQZKBCFF-ZDUSSCGKSA-N 1 0 315.377 0.276 20 10 DCCDRO C[NH+](C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000876727018 668497231 /nfs/dbraw/zinc/49/72/31/668497231.db2.gz UHGMWSAIFIBNNI-HNNXBMFYSA-N 1 0 306.410 0.028 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)C[NH2+]CCO3)C2)cc1 ZINC000876960073 668543258 /nfs/dbraw/zinc/54/32/58/668543258.db2.gz SWIIRPLIHHUOID-CXAGYDPISA-N 1 0 319.405 0.769 20 10 DCCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775011417 668854063 /nfs/dbraw/zinc/85/40/63/668854063.db2.gz JMVFLHGWFONSOQ-ZDUSSCGKSA-N 1 0 300.311 0.796 20 10 DCCDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccccc1O ZINC000879651519 669082448 /nfs/dbraw/zinc/08/24/48/669082448.db2.gz ZHAAOMMIRZZQMC-NSHDSACASA-N 1 0 324.406 0.755 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@H](O)[C@H](C)O)CC2)c(OC)c1 ZINC000931531751 669218054 /nfs/dbraw/zinc/21/80/54/669218054.db2.gz HZIBSZQEDCOJAH-WFASDCNBSA-N 1 0 310.394 0.568 20 10 DCCDRO CC(=O)N[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881848738 669398182 /nfs/dbraw/zinc/39/81/82/669398182.db2.gz AEDLIWPBNLHMNG-CYBMUJFWSA-N 1 0 318.421 0.579 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCNC3=O)cc2)CC1 ZINC000881853329 669399037 /nfs/dbraw/zinc/39/90/37/669399037.db2.gz RGPSJOLXJNFFAV-OAHLLOKOSA-N 1 0 316.405 0.191 20 10 DCCDRO CCOc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c(O)c1 ZINC000800891328 670104172 /nfs/dbraw/zinc/10/41/72/670104172.db2.gz JUKRFZBBPARJFU-UHFFFAOYSA-N 1 0 314.407 0.961 20 10 DCCDRO C[C@H]1C[NH+]=C(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N1 ZINC000848995339 670746815 /nfs/dbraw/zinc/74/68/15/670746815.db2.gz GZUOSSQCWZYKFF-JSGCOSHPSA-N 1 0 315.421 0.826 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000817919425 670953012 /nfs/dbraw/zinc/95/30/12/670953012.db2.gz SJOFXKPZJOMEEB-UHFFFAOYSA-N 1 0 304.394 0.143 20 10 DCCDRO CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944368 670956052 /nfs/dbraw/zinc/95/60/52/670956052.db2.gz ZXBWKEQRXFIZLM-OWCLPIDISA-N 1 0 320.437 0.636 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000817975501 670958241 /nfs/dbraw/zinc/95/82/41/670958241.db2.gz VSRRPZXIXJFYCV-UHFFFAOYSA-N 1 0 319.405 0.953 20 10 DCCDRO COc1ccc(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)cc1 ZINC000858311842 670991772 /nfs/dbraw/zinc/99/17/72/670991772.db2.gz OUCGEWBHWHHYGY-UHFFFAOYSA-N 1 0 301.354 0.371 20 10 DCCDRO C[C@H](NC(=O)COCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827725723 671536607 /nfs/dbraw/zinc/53/66/07/671536607.db2.gz NBKIGALEJLOZGG-ZDUSSCGKSA-N 1 0 307.394 0.676 20 10 DCCDRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000830085231 671611862 /nfs/dbraw/zinc/61/18/62/671611862.db2.gz FVFRMNJVNJIXFW-HZPDHXFCSA-N 1 0 321.421 0.714 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)C[NH3+])cc2)CC1 ZINC000832171927 671706674 /nfs/dbraw/zinc/70/66/74/671706674.db2.gz ARVOLOULOWBOIU-CYBMUJFWSA-N 1 0 318.421 0.566 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)[NH3+])cc2)CC1 ZINC000832173848 671706733 /nfs/dbraw/zinc/70/67/33/671706733.db2.gz VRTPOYCJIRUZBN-LBPRGKRZSA-N 1 0 304.394 0.319 20 10 DCCDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035749 671977531 /nfs/dbraw/zinc/97/75/31/671977531.db2.gz IINMONDHCNHCGI-IUODEOHRSA-N 1 0 318.421 0.483 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000842035272 671977688 /nfs/dbraw/zinc/97/76/88/671977688.db2.gz DUDHAJSPECDZQY-IUODEOHRSA-N 1 0 318.421 0.565 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000842073443 671980985 /nfs/dbraw/zinc/98/09/85/671980985.db2.gz UQJLBVHNXIBIOQ-CHWSQXEVSA-N 1 0 320.437 0.572 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000842070877 671981013 /nfs/dbraw/zinc/98/10/13/671981013.db2.gz UGRANZVAAJZCTE-CYBMUJFWSA-N 1 0 320.437 0.573 20 10 DCCDRO CN(CC[NH3+])C(=O)C(=O)NCCCSc1nccs1 ZINC000842095175 671982002 /nfs/dbraw/zinc/98/20/02/671982002.db2.gz ZEWMEUIDNYJXBN-UHFFFAOYSA-N 1 0 302.425 0.159 20 10 DCCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCSc1nccs1 ZINC000842091522 671982090 /nfs/dbraw/zinc/98/20/90/671982090.db2.gz FAZZTPTXAPNJHT-VIFPVBQESA-N 1 0 316.452 0.453 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1F ZINC000842148380 671985618 /nfs/dbraw/zinc/98/56/18/671985618.db2.gz NAGITMQEEGYFNH-LBPRGKRZSA-N 1 0 322.384 0.376 20 10 DCCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149358 671985869 /nfs/dbraw/zinc/98/58/69/671985869.db2.gz WUCNTVWWAHMOJY-LLVKDONJSA-N 1 0 324.400 0.622 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000842152024 671986528 /nfs/dbraw/zinc/98/65/28/671986528.db2.gz DRFCIHULEKUSKI-LBPRGKRZSA-N 1 0 306.410 0.531 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000842154915 671986781 /nfs/dbraw/zinc/98/67/81/671986781.db2.gz YFXGXDRKMVYPTB-ZDUSSCGKSA-N 1 0 318.421 0.484 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842154559 671987028 /nfs/dbraw/zinc/98/70/28/671987028.db2.gz UTOPKZUCXQZOTI-UHFFFAOYSA-N 1 0 306.410 0.403 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202823 671994117 /nfs/dbraw/zinc/99/41/17/671994117.db2.gz LWBBMOURIHRBIE-YPMHNXCESA-N 1 0 304.394 0.489 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH3+] ZINC000842222908 671996330 /nfs/dbraw/zinc/99/63/30/671996330.db2.gz WIQKTHJYOSTXBC-UHFFFAOYSA-N 1 0 306.410 0.566 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000842252658 672000358 /nfs/dbraw/zinc/00/03/58/672000358.db2.gz CIJIKVPJPRTTHA-CYBMUJFWSA-N 1 0 320.437 0.955 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2c[nH]cn2)cc1 ZINC000842784675 672036870 /nfs/dbraw/zinc/03/68/70/672036870.db2.gz KQLIDFRTGSWPFH-GFCCVEGCSA-N 1 0 309.395 0.454 20 10 DCCDRO CCOCCS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784184 672036931 /nfs/dbraw/zinc/03/69/31/672036931.db2.gz HJVCYYJLHVWYFD-CQSZACIVSA-N 1 0 315.439 0.708 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000843065039 672057637 /nfs/dbraw/zinc/05/76/37/672057637.db2.gz IIOILGQEQHFPTM-CYBMUJFWSA-N 1 0 319.405 0.797 20 10 DCCDRO COc1ccc(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c(O)c1 ZINC000843500176 672107193 /nfs/dbraw/zinc/10/71/93/672107193.db2.gz QFEFAUASZKGTMQ-AWEZNQCLSA-N 1 0 309.366 0.117 20 10 DCCDRO CN(C)c1ccc(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000844381475 672178849 /nfs/dbraw/zinc/17/88/49/672178849.db2.gz MWRPIAJQWVLMDU-UHFFFAOYSA-N 1 0 304.438 0.958 20 10 DCCDRO COC(=O)[C@](C)(O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401114 672179641 /nfs/dbraw/zinc/17/96/41/672179641.db2.gz HVJWJDXHJBDMFD-MRXNPFEDSA-N 1 0 310.394 0.987 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000846033689 672290630 /nfs/dbraw/zinc/29/06/30/672290630.db2.gz LUCBJUITMBOLPD-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1F ZINC000846673039 672335741 /nfs/dbraw/zinc/33/57/41/672335741.db2.gz MOKNIRKYLLXHAK-LRDDRELGSA-N 1 0 307.369 0.744 20 10 DCCDRO O=C(C[C@H]1COCC[NH2+]1)NCc1ccc(N2CCOCC2)cc1 ZINC000285712672 685202964 /nfs/dbraw/zinc/20/29/64/685202964.db2.gz DFQCZCBCUMBBRI-HNNXBMFYSA-N 1 0 319.405 0.518 20 10 DCCDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007784208 690749268 /nfs/dbraw/zinc/74/92/68/690749268.db2.gz AMGQFLBRUMNHOG-CYBMUJFWSA-N 1 0 323.393 0.939 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CNC(C)=O)cc1C ZINC001566994237 1160203575 /nfs/dbraw/zinc/20/35/75/1160203575.db2.gz AAURVEXVRBRUCN-GFCCVEGCSA-N 1 0 307.394 0.734 20 10 DCCDRO C[C@@H](CNC(=O)NCc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC001576021156 1164213056 /nfs/dbraw/zinc/21/30/56/1164213056.db2.gz AWLBGUGMSXAOHN-ZDUSSCGKSA-N 1 0 305.426 0.704 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CCS(=O)(=O)NC2CC2)c1 ZINC001621560926 1171411416 /nfs/dbraw/zinc/41/14/16/1171411416.db2.gz ASYRNSBGKOWAMW-UHFFFAOYSA-N 1 0 300.380 0.572 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001647773163 1173055859 /nfs/dbraw/zinc/05/58/59/1173055859.db2.gz ONOWFOQXTMYYDM-DTRQGZQOSA-N 1 0 304.346 0.700 20 10 DCCDRO CNC(=O)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001657189600 1173909901 /nfs/dbraw/zinc/90/99/01/1173909901.db2.gz JETCLTFKORTRSG-UHFFFAOYSA-N 1 0 308.401 0.803 20 10 DCCDRO COc1cc(C)c(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c(O)c1 ZINC001659226962 1173931135 /nfs/dbraw/zinc/93/11/35/1173931135.db2.gz HAWRNUQTBMZPHA-AWEZNQCLSA-N 1 0 315.391 0.348 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CNC(C)=O)C2)cc1C ZINC001713185634 1180709492 /nfs/dbraw/zinc/70/94/92/1180709492.db2.gz PLNLEYOXPDISBL-GASCZTMLSA-N 1 0 319.405 0.877 20 10 DCCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C(N)=O)cc1C ZINC001725404804 1184806789 /nfs/dbraw/zinc/80/67/89/1184806789.db2.gz YCIORGSAVUAUAR-GFCCVEGCSA-N 1 0 307.394 0.863 20 10 DCCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)CC(N)=O ZINC001754037922 1188718398 /nfs/dbraw/zinc/71/83/98/1188718398.db2.gz PIAIZPLCMXCLQL-UHFFFAOYSA-N 1 0 307.394 0.817 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1C ZINC001754219269 1188790206 /nfs/dbraw/zinc/79/02/06/1188790206.db2.gz GBTFOCGHCVEKDX-TZMCWYRMSA-N 1 0 319.405 0.877 20 10 DCCDRO Oc1cc(O)c(CCNc2ncc3c(n2)C[NH2+]CC3)cc1O ZINC001168009410 748933885 /nfs/dbraw/zinc/93/38/85/748933885.db2.gz IBFRODCMOSFQEO-UHFFFAOYSA-N 1 0 302.334 0.894 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]2)cc1C ZINC001133338886 764933020 /nfs/dbraw/zinc/93/30/20/764933020.db2.gz NGTCDFIZEHBKLF-UHFFFAOYSA-N 1 0 318.377 0.962 20 10 DCCDRO COC[C@@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001133509770 764992787 /nfs/dbraw/zinc/99/27/87/764992787.db2.gz QBSVIVABEFQVIQ-OAHLLOKOSA-N 1 0 310.394 0.871 20 10 DCCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001117985743 766187371 /nfs/dbraw/zinc/18/73/71/766187371.db2.gz VSRLHLUAZFRGGD-CYBMUJFWSA-N 1 0 307.394 0.984 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1cc2c(c(C(=O)OC)c1)OCO2 ZINC001170995927 766388524 /nfs/dbraw/zinc/38/85/24/766388524.db2.gz ZHYUWNGGRDHXOD-UHFFFAOYSA-N 1 0 324.333 0.530 20 10 DCCDRO CN(CCC[NH+](C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001118936291 766477338 /nfs/dbraw/zinc/47/73/38/766477338.db2.gz ITKXBQPVGCRXGH-UHFFFAOYSA-N 1 0 305.378 0.645 20 10 DCCDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509372 766964628 /nfs/dbraw/zinc/96/46/28/766964628.db2.gz ABUPKWJUBOLZAZ-GDBMZVCRSA-N 1 0 322.361 0.530 20 10 DCCDRO CC(C)[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)C1 ZINC001144850555 767065527 /nfs/dbraw/zinc/06/55/27/767065527.db2.gz XFSWPPMLEGQPTF-JTQLQIEISA-N 1 0 315.464 0.788 20 10 DCCDRO O=C1COCC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)N1 ZINC001233483169 769368665 /nfs/dbraw/zinc/36/86/65/769368665.db2.gz PRHNWYILIWBZRO-UHFFFAOYSA-N 1 0 308.334 0.284 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(N(C)C)cc1OC ZINC001236200832 769984285 /nfs/dbraw/zinc/98/42/85/769984285.db2.gz KOWNABSKNDCCPX-JSGCOSHPSA-N 1 0 307.394 0.836 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC001236340839 769998197 /nfs/dbraw/zinc/99/81/97/769998197.db2.gz GETMDBVJBQYHIQ-HOTGVXAUSA-N 1 0 319.405 0.455 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCNC(=O)C3)c(F)c2)CC1 ZINC001236931911 770023458 /nfs/dbraw/zinc/02/34/58/770023458.db2.gz MSFZGTFAVWJPFW-UHFFFAOYSA-N 1 0 306.385 0.509 20 10 DCCDRO C[NH+](C)CC(=O)N[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203881699 772928126 /nfs/dbraw/zinc/92/81/26/772928126.db2.gz SUKVZRIAGDYLPJ-CYBMUJFWSA-N 1 0 307.394 0.740 20 10 DCCDRO COc1cccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000400209965 774023533 /nfs/dbraw/zinc/02/35/33/774023533.db2.gz SHJHKAFNIVLQBN-NSHDSACASA-N 1 0 300.380 0.524 20 10 DCCDRO O=C(CN1C(=O)CSC1=S)NC1CC2(C1)CC[NH2+]CC2 ZINC001219772818 774602802 /nfs/dbraw/zinc/60/28/02/774602802.db2.gz AUJSQCDDFHRSGD-UHFFFAOYSA-N 1 0 313.448 0.495 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C(F)F)cc1C ZINC001278035354 945110262 /nfs/dbraw/zinc/11/02/62/945110262.db2.gz SENIVZKAABJTOT-LLVKDONJSA-N 1 0 302.321 0.835 20 10 DCCDRO CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001272987375 945173233 /nfs/dbraw/zinc/17/32/33/945173233.db2.gz ADLWGTFNQNFPCE-MRXNPFEDSA-N 1 0 306.362 0.779 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)cc1C ZINC001268313075 940052080 /nfs/dbraw/zinc/05/20/80/940052080.db2.gz BSOWNENUWMPXLY-GFCCVEGCSA-N 1 0 319.365 0.002 20 10 DCCDRO C[NH+](C)CCN1CCC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001270067611 940828143 /nfs/dbraw/zinc/82/81/43/940828143.db2.gz LQHVYQQGXJNIOH-UHFFFAOYSA-N 1 0 321.377 0.265 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCNC2=O)cc1C ZINC001483255359 942212642 /nfs/dbraw/zinc/21/26/42/942212642.db2.gz QBGMBJGUEOSOHS-GXTWGEPZSA-N 1 0 319.405 0.734 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c1 ZINC001272637570 942877788 /nfs/dbraw/zinc/87/77/88/942877788.db2.gz LRWIKHRSOACKFA-MRXNPFEDSA-N 1 0 306.362 0.834 20 10 DCCDRO CN(C)CC[N@@H+]1CCC2(CN(Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001276833147 944320716 /nfs/dbraw/zinc/32/07/16/944320716.db2.gz JICLEZODQJTTKO-UHFFFAOYSA-N 1 0 321.421 0.873 20 10 DCCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)Cc2ccnn21 ZINC001277192809 944699643 /nfs/dbraw/zinc/69/96/43/944699643.db2.gz UOFKNNPOOYZKDN-ZDUSSCGKSA-N 1 0 302.334 0.727 20 10 DCCDRO COC(=O)[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001252422421 945917416 /nfs/dbraw/zinc/91/74/16/945917416.db2.gz XALXGLZEQSAMBW-OAHLLOKOSA-N 1 0 308.378 0.489 20 10 DCCDRO CC(C)(C)OC(=O)[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253702354 946166313 /nfs/dbraw/zinc/16/63/13/946166313.db2.gz VXIFYUUMFSPRAK-CYBMUJFWSA-N 1 0 313.350 0.638 20 10 DCCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001262061461 947545651 /nfs/dbraw/zinc/54/56/51/947545651.db2.gz AIFCPUAUXZITOW-WCQYABFASA-N 1 0 304.394 0.317 20 10 DCCDRO COC(=O)[C@]1(N2CC[NH+](Cc3ccccc3O)CC2)CCOC1 ZINC001331794909 951324973 /nfs/dbraw/zinc/32/49/73/951324973.db2.gz OEFJZWWQYCIDDW-KRWDZBQOSA-N 1 0 320.389 0.842 20 10 DCCDRO CN1C[C@@]2(CC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)OCC1=O ZINC001274836067 951851033 /nfs/dbraw/zinc/85/10/33/951851033.db2.gz DIRXOPZDESJRQQ-OAHLLOKOSA-N 1 0 308.334 0.237 20 10 DCCDRO CC(C)[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC001335714472 952587929 /nfs/dbraw/zinc/58/79/29/952587929.db2.gz NUKDIKOVDHMQFO-CQSZACIVSA-N 1 0 317.389 0.691 20 10 DCCDRO [NH3+]CCC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001335716849 952587965 /nfs/dbraw/zinc/58/79/65/952587965.db2.gz RYKIHYMCRMLXHA-UHFFFAOYSA-N 1 0 317.389 0.822 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(OC)c1 ZINC001276194544 952990812 /nfs/dbraw/zinc/99/08/12/952990812.db2.gz YDJVFHUBNOXGRI-BBRMVZONSA-N 1 0 308.378 0.924 20 10 DCCDRO C[C@H](NC(=O)CNCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001340839995 953198425 /nfs/dbraw/zinc/19/84/25/953198425.db2.gz UZAHQNHLKOZQQX-ZDUSSCGKSA-N 1 0 306.410 0.249 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@@]3(C)CCNC3=O)cc2F)CC1 ZINC001343319363 953337552 /nfs/dbraw/zinc/33/75/52/953337552.db2.gz MZUBBVHSNYOVEH-KRWDZBQOSA-N 1 0 320.412 0.946 20 10 DCCDRO COC(=O)[C@H]1C[NH+](Cc2cc(OC)ccc2O)C[C@@H]1C(=O)OC ZINC001343333034 953338590 /nfs/dbraw/zinc/33/85/90/953338590.db2.gz LSWQXDFFWDOMKE-STQMWFEESA-N 1 0 323.345 0.795 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2COC(=O)C2)cc1 ZINC001345810677 953737882 /nfs/dbraw/zinc/73/78/82/953737882.db2.gz FBKNERAJEBHBHV-SMDDNHRTSA-N 1 0 305.378 0.822 20 10 DCCDRO C[C@@H](CNC(=O)NCc1ccccc1O)N1CC[NH+](C)CC1 ZINC001528247230 1014236172 /nfs/dbraw/zinc/23/61/72/1014236172.db2.gz ZNCLCEBVOCXHEN-ZDUSSCGKSA-N 1 0 306.410 0.827 20 10 DCCDRO CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001507569283 1016459477 /nfs/dbraw/zinc/45/94/77/1016459477.db2.gz SXHNGBWWTKACRX-GFCCVEGCSA-N 1 0 307.354 0.891 20 10 DCCDRO C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001544139604 1012532722 /nfs/dbraw/zinc/53/27/22/1012532722.db2.gz SMZSYZBQRLQSIM-AAEUAGOBSA-N 1 0 307.394 0.391 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)C[C@H](O)C[NH3+])CC2)cc1 ZINC001521469326 1017383342 /nfs/dbraw/zinc/38/33/42/1017383342.db2.gz GSIFLQAZXODKBQ-AWEZNQCLSA-N 1 0 307.394 0.490 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001480574794 1018674463 /nfs/dbraw/zinc/67/44/63/1018674463.db2.gz YROZBSJPKQUXQZ-JSGCOSHPSA-N 1 0 319.405 0.877 20 10 DCCDRO COc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c(O)c1 ZINC000373703207 239202345 /nfs/dbraw/zinc/20/23/45/239202345.db2.gz TVYHNORTRDNSSE-AWEZNQCLSA-N 1 0 305.378 0.407 20 10 DCCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272386743 130025377 /nfs/dbraw/zinc/02/53/77/130025377.db2.gz GGVQTSQBYIGDMZ-DIECRNLCSA-N 1 0 305.378 0.473 20 10 DCCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278559991 396132032 /nfs/dbraw/zinc/13/20/32/396132032.db2.gz BDKADUIXAYWYEX-SECBINFHSA-N 1 0 310.310 0.552 20 10 DCCDRO Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)c(O)c1O ZINC000179394719 396226524 /nfs/dbraw/zinc/22/65/24/396226524.db2.gz XLTFZPOETFGWJM-UHFFFAOYSA-N 1 0 307.394 0.774 20 10 DCCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298448214 416009011 /nfs/dbraw/zinc/00/90/11/416009011.db2.gz HFPGMQAMPCAURS-MLGOLLRUSA-N 1 0 318.421 0.483 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(CC[NH3+])nn1 ZINC000573699762 341736420 /nfs/dbraw/zinc/73/64/20/341736420.db2.gz QPRPPGPHZQLJCR-UHFFFAOYSA-N 1 0 316.365 0.342 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+]CCn2cc(C(=O)OC)nn2)c1 ZINC000283819282 535752502 /nfs/dbraw/zinc/75/25/02/535752502.db2.gz COQCTPUJGHZTAG-UHFFFAOYSA-N 1 0 320.349 0.959 20 10 DCCDRO COC[C@@](C)(O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250501 658085923 /nfs/dbraw/zinc/08/59/23/658085923.db2.gz AOTUZAFUQNZDKY-NVXWUHKLSA-N 1 0 323.437 0.869 20 10 DCCDRO COc1ccc(C[NH2+]CCNS(C)(=O)=O)c(O)c1OC ZINC000892402432 658261040 /nfs/dbraw/zinc/26/10/40/658261040.db2.gz OZTHSTUGBWGPRL-UHFFFAOYSA-N 1 0 304.368 0.048 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCOCC3)cc2)CC1 ZINC000049740672 658605508 /nfs/dbraw/zinc/60/55/08/658605508.db2.gz GTZVWLMTZJEWPB-UHFFFAOYSA-N 1 0 318.421 0.980 20 10 DCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895439914 662185015 /nfs/dbraw/zinc/18/50/15/662185015.db2.gz MNIZJPVMGCXXPF-QWRGUYRKSA-N 1 0 324.377 0.865 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=S)NCC(N)=O)[NH+](C)C)cc1 ZINC000899725007 663182096 /nfs/dbraw/zinc/18/20/96/663182096.db2.gz RCZJJKGCWCCXMK-ZDUSSCGKSA-N 1 0 323.466 0.305 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000907272737 663679861 /nfs/dbraw/zinc/67/98/61/663679861.db2.gz ITZPQIDKGMFGNA-BXUZGUMPSA-N 1 0 320.389 0.866 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000225247852 664471158 /nfs/dbraw/zinc/47/11/58/664471158.db2.gz YTUGZROTTKVYGS-UHFFFAOYSA-N 1 0 302.352 0.150 20 10 DCCDRO COC[C@](C)(O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918860911 665186981 /nfs/dbraw/zinc/18/69/81/665186981.db2.gz GWTJHRJSOHRYML-KRWDZBQOSA-N 1 0 321.421 0.452 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC(=O)N3)cc2)CC1 ZINC000918865178 665187181 /nfs/dbraw/zinc/18/71/81/665187181.db2.gz IPWAMEKGCMDVRL-OAHLLOKOSA-N 1 0 316.405 0.333 20 10 DCCDRO COC(=O)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918884667 665188144 /nfs/dbraw/zinc/18/81/44/665188144.db2.gz XRSHJVBTVIMRSA-UHFFFAOYSA-N 1 0 305.378 0.618 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CS(C)(=O)=O)c(Cl)c1 ZINC000922822477 666535333 /nfs/dbraw/zinc/53/53/33/666535333.db2.gz GUMZZDPYJOUJRB-SECBINFHSA-N 1 0 307.799 0.849 20 10 DCCDRO COc1c(O)c(C[N@H+](C)[C@@]2(CO)CCOC2)ccc1[N+](=O)[O-] ZINC000862428485 667043490 /nfs/dbraw/zinc/04/34/90/667043490.db2.gz ROXIRQCISDTKFY-CQSZACIVSA-N 1 0 312.322 0.892 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1 ZINC000865801342 667349173 /nfs/dbraw/zinc/34/91/73/667349173.db2.gz VSWCZBGFSAWRIS-KRWDZBQOSA-N 1 0 319.405 0.470 20 10 DCCDRO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccccc1O ZINC000866556014 667381589 /nfs/dbraw/zinc/38/15/89/667381589.db2.gz PITOGDKYYQOPEB-MLGOLLRUSA-N 1 0 306.362 0.671 20 10 DCCDRO C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000866814206 667401747 /nfs/dbraw/zinc/40/17/47/667401747.db2.gz MXGKGHFBIMPELT-WDEREUQCSA-N 1 0 300.380 0.361 20 10 DCCDRO CC(=O)NC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839100818 667731161 /nfs/dbraw/zinc/73/11/61/667731161.db2.gz BNRYRCUPMHRZRU-UHFFFAOYSA-N 1 0 302.422 0.759 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000758559938 668183817 /nfs/dbraw/zinc/18/38/17/668183817.db2.gz UDMOXPCRGUOGTL-UHFFFAOYSA-N 1 0 317.411 0.323 20 10 DCCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876523492 668460789 /nfs/dbraw/zinc/46/07/89/668460789.db2.gz YBOYFNSGMPDDIB-CQSZACIVSA-N 1 0 303.406 0.955 20 10 DCCDRO C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000876739565 668499409 /nfs/dbraw/zinc/49/94/09/668499409.db2.gz CSXWYIXTFDMTBF-BBRMVZONSA-N 1 0 320.437 0.589 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCOC3)cc2)CC1 ZINC000765981527 668517301 /nfs/dbraw/zinc/51/73/01/668517301.db2.gz WGHRUFAMVFMSGG-CQSZACIVSA-N 1 0 310.419 0.800 20 10 DCCDRO OC1CCN(c2ccc(C[NH2+]C[C@]3(O)CCOC3)cc2)CC1 ZINC000877118106 668564066 /nfs/dbraw/zinc/56/40/66/668564066.db2.gz MSNWJJQLVWDNAY-QGZVFWFLSA-N 1 0 306.406 0.889 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccccc2O)CC1=O ZINC000769359031 668644629 /nfs/dbraw/zinc/64/46/29/668644629.db2.gz FVWHFKPNAGFWQM-ZDUSSCGKSA-N 1 0 305.378 0.419 20 10 DCCDRO COc1cc(O)c(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1OC ZINC000776253595 668874212 /nfs/dbraw/zinc/87/42/12/668874212.db2.gz YSSSOQGBJAQWPH-SECBINFHSA-N 1 0 303.380 0.932 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CCCN2CCNC(=O)C2)cc1F ZINC000848557897 670696657 /nfs/dbraw/zinc/69/66/57/670696657.db2.gz MXHJXTXNBTXVNE-UHFFFAOYSA-N 1 0 308.401 0.803 20 10 DCCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000848566491 670696868 /nfs/dbraw/zinc/69/68/68/670696868.db2.gz YYTONWBOBBXCOO-SNVBAGLBSA-N 1 0 302.334 0.897 20 10 DCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000817945124 670955611 /nfs/dbraw/zinc/95/56/11/670955611.db2.gz UQDWWQJAQACDPG-LBPRGKRZSA-N 1 0 307.394 0.735 20 10 DCCDRO O[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000858299548 670990587 /nfs/dbraw/zinc/99/05/87/670990587.db2.gz YOGUCQYJDVLZTB-QGZVFWFLSA-N 1 0 305.422 0.679 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000851685131 671013048 /nfs/dbraw/zinc/01/30/48/671013048.db2.gz PTMOCVTYRUXBJJ-LBPRGKRZSA-N 1 0 306.410 0.401 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C[NH3+])OC)C2)cc1 ZINC000852843977 671172487 /nfs/dbraw/zinc/17/24/87/671172487.db2.gz LNFMTUKVJRZGMZ-WFASDCNBSA-N 1 0 307.394 0.754 20 10 DCCDRO CN1CC[C@H](N2CCC(NC(=O)C3=CC(=O)CS3)CC2)C1=O ZINC000820622865 671214669 /nfs/dbraw/zinc/21/46/69/671214669.db2.gz XSGYZRBPAAGBSG-LBPRGKRZSA-N 1 0 323.418 0.879 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)C[NH3+])cc1 ZINC000826019677 671477088 /nfs/dbraw/zinc/47/70/88/671477088.db2.gz JHEVNSDZDRVUGC-UHFFFAOYSA-N 1 0 306.410 0.566 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000827906200 671539573 /nfs/dbraw/zinc/53/95/73/671539573.db2.gz IRRKGUIMTHYQCW-ZDUSSCGKSA-N 1 0 322.384 0.376 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000828666935 671558043 /nfs/dbraw/zinc/55/80/43/671558043.db2.gz KCOSJIAPWSQGFX-MFKMUULPSA-N 1 0 321.377 0.446 20 10 DCCDRO [NH3+]CCOCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003921 671565565 /nfs/dbraw/zinc/56/55/65/671565565.db2.gz VBKJYXMEXLLHLV-AWEZNQCLSA-N 1 0 308.378 0.875 20 10 DCCDRO CNC(=O)C1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832280551 671713291 /nfs/dbraw/zinc/71/32/91/671713291.db2.gz PLPVMLYLRHQUPA-ZDUSSCGKSA-N 1 0 304.394 0.395 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc[n+]([O-])cc2)cc1 ZINC000832293309 671713636 /nfs/dbraw/zinc/71/36/36/671713636.db2.gz UOIQTSHKXAMBRP-OAHLLOKOSA-N 1 0 300.362 0.816 20 10 DCCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3C[NH2+]CCO3)ccc21 ZINC000841759476 671952851 /nfs/dbraw/zinc/95/28/51/671952851.db2.gz OGFCORGIOBPSJQ-OAHLLOKOSA-N 1 0 318.421 0.857 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000841823640 671957872 /nfs/dbraw/zinc/95/78/72/671957872.db2.gz FELQUWBFAUJDCC-UHFFFAOYSA-N 1 0 318.421 0.945 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000842035770 671978268 /nfs/dbraw/zinc/97/82/68/671978268.db2.gz ISHWBAHSJTXJAB-CQSZACIVSA-N 1 0 304.394 0.222 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1F ZINC000842148716 671985701 /nfs/dbraw/zinc/98/57/01/671985701.db2.gz NTBLRLRBUDIWJC-GFCCVEGCSA-N 1 0 322.384 0.315 20 10 DCCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000842148319 671985780 /nfs/dbraw/zinc/98/57/80/671985780.db2.gz MDVXHWZLWAAMBW-GFCCVEGCSA-N 1 0 322.384 0.328 20 10 DCCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147513 671986041 /nfs/dbraw/zinc/98/60/41/671986041.db2.gz FVSWPFBJLWVXGL-NSHDSACASA-N 1 0 322.384 0.328 20 10 DCCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000842153929 671987001 /nfs/dbraw/zinc/98/70/01/671987001.db2.gz QRJIDPODZMVOKK-CQSZACIVSA-N 1 0 318.421 0.498 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000842154213 671987019 /nfs/dbraw/zinc/98/70/19/671987019.db2.gz RVVHYEIRXQAQIH-OAHLLOKOSA-N 1 0 320.437 0.777 20 10 DCCDRO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842203479 671993988 /nfs/dbraw/zinc/99/39/88/671993988.db2.gz SAHONMXEEGPAAK-RYUDHWBXSA-N 1 0 306.410 0.735 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202904 671994017 /nfs/dbraw/zinc/99/40/17/671994017.db2.gz MGWJRPJTUZYBDI-QWHCGFSZSA-N 1 0 318.421 0.737 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000842203505 671994193 /nfs/dbraw/zinc/99/41/93/671994193.db2.gz TZHSASGEPNZYTI-CHWSQXEVSA-N 1 0 318.421 0.750 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[NH3+] ZINC000842222727 671996418 /nfs/dbraw/zinc/99/64/18/671996418.db2.gz RUWKUPQZVHVEJQ-UHFFFAOYSA-N 1 0 307.394 0.986 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000842223251 671996676 /nfs/dbraw/zinc/99/66/76/671996676.db2.gz GGFNCEMLGFEZFU-CQSZACIVSA-N 1 0 319.405 0.999 20 10 DCCDRO CN(C)c1ccc(CN(C(=O)C(=O)NC2C[NH2+]C2)C2CC2)cc1 ZINC000842234094 671998265 /nfs/dbraw/zinc/99/82/65/671998265.db2.gz AHPLIPMGLMGGLJ-UHFFFAOYSA-N 1 0 316.405 0.332 20 10 DCCDRO CCCNS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785377 672036805 /nfs/dbraw/zinc/03/68/05/672036805.db2.gz LSLWMMNQISILFW-CYBMUJFWSA-N 1 0 300.428 0.586 20 10 DCCDRO CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000843120234 672064217 /nfs/dbraw/zinc/06/42/17/672064217.db2.gz ANSIEKLWZAHIAQ-HNNXBMFYSA-N 1 0 322.428 0.737 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](O)C2CCOCC2)cc1 ZINC000843298138 672080072 /nfs/dbraw/zinc/08/00/72/672080072.db2.gz MPXSTHAITPXKCZ-JKSUJKDBSA-N 1 0 321.421 0.656 20 10 DCCDRO COc1cccc(O)c1CN1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000843428622 672094474 /nfs/dbraw/zinc/09/44/74/672094474.db2.gz LEMDUYSLJGQKJZ-LBPRGKRZSA-N 1 0 307.394 0.953 20 10 DCCDRO COc1cccc(O)c1CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000843428620 672094913 /nfs/dbraw/zinc/09/49/13/672094913.db2.gz LEMDUYSLJGQKJZ-GFCCVEGCSA-N 1 0 307.394 0.953 20 10 DCCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[NH3+] ZINC000843489749 672103642 /nfs/dbraw/zinc/10/36/42/672103642.db2.gz TWDXQWQVWZNHRZ-MRVPVSSYSA-N 1 0 300.742 0.894 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000846345548 672309079 /nfs/dbraw/zinc/30/90/79/672309079.db2.gz YLBYTMZFCMNSTF-LBPRGKRZSA-N 1 0 322.409 0.053 20 10 DCCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001570632694 1162567576 /nfs/dbraw/zinc/56/75/76/1162567576.db2.gz VXQOMSLRZPCNJF-NSHDSACASA-N 1 0 321.377 0.219 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCC([NH3+])CC1 ZINC001576053445 1164224759 /nfs/dbraw/zinc/22/47/59/1164224759.db2.gz XVJUWBKBSHHQNY-LLVKDONJSA-N 1 0 307.394 0.568 20 10 DCCDRO CN(C)c1cc(F)c(CNCC(=O)N2CC[NH2+]CC2)cc1F ZINC001578423202 1165010776 /nfs/dbraw/zinc/01/07/76/1165010776.db2.gz RPKHBPOBPMCLDJ-UHFFFAOYSA-N 1 0 312.364 0.552 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001578426888 1165012168 /nfs/dbraw/zinc/01/21/68/1165012168.db2.gz IPRAENZNHMHFPC-LRDDRELGSA-N 1 0 305.378 0.591 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC001578427358 1165012634 /nfs/dbraw/zinc/01/26/34/1165012634.db2.gz SESBLMBJVLKHEB-WFASDCNBSA-N 1 0 305.378 0.842 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1(O)C[NH2+]C1 ZINC001579616879 1165360222 /nfs/dbraw/zinc/36/02/22/1165360222.db2.gz HRCCTFCUVILWNB-CYBMUJFWSA-N 1 0 320.437 0.626 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001620519043 1171404004 /nfs/dbraw/zinc/40/40/04/1171404004.db2.gz ROHPBWBHFNVIHP-CQSZACIVSA-N 1 0 320.389 0.821 20 10 DCCDRO Cn1cnc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001655931717 1173830860 /nfs/dbraw/zinc/83/08/60/1173830860.db2.gz RTKRPEZQMDZONP-UHFFFAOYSA-N 1 0 300.410 0.857 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC(=O)N2)cc1C ZINC001690560972 1177269600 /nfs/dbraw/zinc/26/96/00/1177269600.db2.gz YROZBSJPKQUXQZ-TZMCWYRMSA-N 1 0 319.405 0.877 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cn2cncn2)cc1C ZINC001699389354 1178114489 /nfs/dbraw/zinc/11/44/89/1178114489.db2.gz ODICXGWBBFAYQS-CYBMUJFWSA-N 1 0 317.393 0.890 20 10 DCCDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CCO ZINC001700433139 1178614773 /nfs/dbraw/zinc/61/47/73/1178614773.db2.gz YSVCUXOSSBJRJS-UWVGGRQHSA-N 1 0 307.354 0.938 20 10 DCCDRO CN(CC[N@H+](C)CCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716024303 1182152077 /nfs/dbraw/zinc/15/20/77/1182152077.db2.gz KXMZNTAJDGNBSV-UHFFFAOYSA-N 1 0 307.354 0.845 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)cc1C ZINC001054505200 756518955 /nfs/dbraw/zinc/51/89/55/756518955.db2.gz FPYQEJFILSDORM-TZMCWYRMSA-N 1 0 319.405 0.816 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CN2CCCC2=O)cc1C ZINC001123341354 767966081 /nfs/dbraw/zinc/96/60/81/767966081.db2.gz GVTSUIJPXMAPPE-UHFFFAOYSA-N 1 0 319.405 0.832 20 10 DCCDRO C[N@@H+]1CCCN(CCNC(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148590219 768021570 /nfs/dbraw/zinc/02/15/70/768021570.db2.gz ZPSXMTAHTFURCV-UHFFFAOYSA-N 1 0 309.366 0.171 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCNC2=O)cc1C ZINC001132376804 764427603 /nfs/dbraw/zinc/42/76/03/764427603.db2.gz RGQCFWWSOJPBBF-ZDUSSCGKSA-N 1 0 305.378 0.346 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001119003276 766498427 /nfs/dbraw/zinc/49/84/27/766498427.db2.gz KUQNGEZDNPWNET-SUMWQHHRSA-N 1 0 317.389 0.419 20 10 DCCDRO C[NH+]1CCN(C2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)CC1 ZINC001119630400 766754645 /nfs/dbraw/zinc/75/46/45/766754645.db2.gz PXMQFXFLDMAIFB-HYXAFXHYSA-N 1 0 317.389 0.569 20 10 DCCDRO CCC[NH+]1CCC(NC(=O)CN2C(=O)CSC2=S)CC1 ZINC001144848579 767064515 /nfs/dbraw/zinc/06/45/15/767064515.db2.gz RNJOEHWJDQYQQW-UHFFFAOYSA-N 1 0 315.464 0.837 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NCC2CC([NH2+]CCO)C2)cc1 ZINC001091385222 767254915 /nfs/dbraw/zinc/25/49/15/767254915.db2.gz BHTYXTXHXORWHP-UHFFFAOYSA-N 1 0 319.365 0.939 20 10 DCCDRO COc1ccc(CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)c(O)c1 ZINC001121984727 767688664 /nfs/dbraw/zinc/68/86/64/767688664.db2.gz HBHVSOBEHCFTLA-UHFFFAOYSA-N 1 0 319.361 0.916 20 10 DCCDRO CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@H]21 ZINC001140949736 768558082 /nfs/dbraw/zinc/55/80/82/768558082.db2.gz HGBODFCVLPEBLR-ZBFHGGJFSA-N 1 0 319.405 0.332 20 10 DCCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]2C1 ZINC001233011177 769342243 /nfs/dbraw/zinc/34/22/43/769342243.db2.gz AHUZFLBJQCKKOF-SWLSCSKDSA-N 1 0 308.378 0.956 20 10 DCCDRO COC(=O)Cc1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062307 769755909 /nfs/dbraw/zinc/75/59/09/769755909.db2.gz MATSUKTUBLPSBV-QGZVFWFLSA-N 1 0 319.405 0.245 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2c(O)cc(OC)cc2OC)C[C@@H]1[NH3+] ZINC001236347258 770001430 /nfs/dbraw/zinc/00/14/30/770001430.db2.gz KTIOCKSXOUBJLY-PWSUYJOCSA-N 1 0 310.350 0.342 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1[NH3+] ZINC001236348831 770002648 /nfs/dbraw/zinc/00/26/48/770002648.db2.gz FFMOEIKTLVVHTE-MNOVXSKESA-N 1 0 310.350 0.342 20 10 DCCDRO C[C@]1(O)CC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209050 770034864 /nfs/dbraw/zinc/03/48/64/770034864.db2.gz UDMSSMMYVDKNBZ-INIZCTEOSA-N 1 0 324.446 0.878 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1c(C)cccc1O)C2 ZINC001237488800 770048538 /nfs/dbraw/zinc/04/85/38/770048538.db2.gz QLHRKXRBZCUYIU-QGZVFWFLSA-N 1 0 317.389 0.623 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)Cn2cnnn2)cc1C ZINC001154505940 770201016 /nfs/dbraw/zinc/20/10/16/770201016.db2.gz AMAPOLBHUKSGMF-UHFFFAOYSA-N 1 0 318.381 0.286 20 10 DCCDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O ZINC001177237839 770385753 /nfs/dbraw/zinc/38/57/53/770385753.db2.gz NANCZSNKOBMDBZ-SECBINFHSA-N 1 0 320.353 0.432 20 10 DCCDRO C[NH+](C)C1(C)CN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)C1 ZINC001155226920 770439256 /nfs/dbraw/zinc/43/92/56/770439256.db2.gz ZKHQVARMCKTVGF-UHFFFAOYSA-N 1 0 318.329 0.980 20 10 DCCDRO O=C(C[C@H]1COCC[NH2+]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924481 772138769 /nfs/dbraw/zinc/13/87/69/772138769.db2.gz KIKOISVTICTXKD-ZDUSSCGKSA-N 1 0 306.362 0.751 20 10 DCCDRO COC(=O)COc1c(C)cc(N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001164287716 772637362 /nfs/dbraw/zinc/63/73/62/772637362.db2.gz KBDBKAVLKWSWNP-SNVBAGLBSA-N 1 0 309.322 0.992 20 10 DCCDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2O)O1 ZINC001204272642 772943650 /nfs/dbraw/zinc/94/36/50/772943650.db2.gz FHUUHDONORVWMI-BPLDGKMQSA-N 1 0 306.362 0.918 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])C(=O)c1cc(O)c(O)c(OC)c1 ZINC001193120333 773009004 /nfs/dbraw/zinc/00/90/04/773009004.db2.gz UESQNPYARJVTTH-UHFFFAOYSA-N 1 0 312.322 0.070 20 10 DCCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206519427 773083822 /nfs/dbraw/zinc/08/38/22/773083822.db2.gz LAPNRDLYLPOPDR-HZMBPMFUSA-N 1 0 304.346 0.558 20 10 DCCDRO COc1cc(CN2CC[C@]3(C2)CN(C)C(=O)CO3)cc(O)c1O ZINC001272988684 945174640 /nfs/dbraw/zinc/17/46/40/945174640.db2.gz UUELHMPUVFSXNU-MRXNPFEDSA-N 1 0 322.361 0.540 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)[C@@H]2C1 ZINC001270038029 940821576 /nfs/dbraw/zinc/82/15/76/940821576.db2.gz RELZRGNDRCONHK-UONOGXRCSA-N 1 0 319.405 0.806 20 10 DCCDRO CN1CCO[C@]2(CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 ZINC001270574307 940928194 /nfs/dbraw/zinc/92/81/94/940928194.db2.gz AEZXQVPSWRZEMA-QGZVFWFLSA-N 1 0 320.389 0.964 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)C(=O)[O-])cc2)CC1 ZINC001610956345 970807232 /nfs/dbraw/zinc/80/72/32/970807232.db2.gz WBENCBAHIWBMBJ-INIZCTEOSA-N 1 0 307.394 0.364 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnn(C)n2)cc1C ZINC001493732972 943069495 /nfs/dbraw/zinc/06/94/95/943069495.db2.gz RLYIMSSIBXNMHE-UHFFFAOYSA-N 1 0 317.393 0.994 20 10 DCCDRO COc1cc(/C=C/C(=O)N2CC3(C2)C[NH+](C)C3)cc(O)c1O ZINC001272908193 944314952 /nfs/dbraw/zinc/31/49/52/944314952.db2.gz QRYJQUGZWLIORI-ONEGZZNKSA-N 1 0 304.346 0.894 20 10 DCCDRO O=C(NCC1COC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001276915127 944592626 /nfs/dbraw/zinc/59/26/26/944592626.db2.gz YPEFGKKEHPFXDK-CXAGYDPISA-N 1 0 318.373 0.682 20 10 DCCDRO C[C@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1cc(O)ccc1O ZINC001277658033 944931001 /nfs/dbraw/zinc/93/10/01/944931001.db2.gz WPKSUBYCGBHWOO-VIFPVBQESA-N 1 0 317.349 0.235 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001249178013 945625352 /nfs/dbraw/zinc/62/53/52/945625352.db2.gz NKLRIHPCXUGDLZ-RDJZCZTQSA-N 1 0 323.389 0.673 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cn2cnnn2)cc1C ZINC001321455981 946337094 /nfs/dbraw/zinc/33/70/94/946337094.db2.gz YUPWSQXMEDKIFS-GFCCVEGCSA-N 1 0 318.381 0.285 20 10 DCCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329566478 949688725 /nfs/dbraw/zinc/68/87/25/949688725.db2.gz PMJQYDDURQGFAM-CYBMUJFWSA-N 1 0 317.389 0.835 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+][C@H](C)CCNC(C)=O)cc1 ZINC001266122461 950393955 /nfs/dbraw/zinc/39/39/55/950393955.db2.gz QYFOVLYGCIPECL-LLVKDONJSA-N 1 0 318.381 0.675 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331165458 950982327 /nfs/dbraw/zinc/98/23/27/950982327.db2.gz HKEXZXPRBOQEAC-XBXGTLAGSA-N 1 0 318.421 0.531 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)OC)cc1C ZINC001331680344 951241316 /nfs/dbraw/zinc/24/13/16/951241316.db2.gz BQESOMSQHKQUOO-OCCSQVGLSA-N 1 0 310.394 0.605 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1C[NH3+] ZINC001332891383 951838645 /nfs/dbraw/zinc/83/86/45/951838645.db2.gz BPTVICPBVXCMKX-RYUDHWBXSA-N 1 0 317.389 0.678 20 10 DCCDRO COCCOCN1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H](C1)O2 ZINC001275266712 952037310 /nfs/dbraw/zinc/03/73/10/952037310.db2.gz COFJYMZZWGIUIB-IYBDPMFKSA-N 1 0 322.405 0.898 20 10 DCCDRO CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001275833247 952485158 /nfs/dbraw/zinc/48/51/58/952485158.db2.gz DUEVVQWKCYRYQS-UHFFFAOYSA-N 1 0 316.449 0.958 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001335253382 952502129 /nfs/dbraw/zinc/50/21/29/952502129.db2.gz FUGPMZTYWDZADC-AWEZNQCLSA-N 1 0 317.389 0.751 20 10 DCCDRO Cc1ccc(C[NH+]2CC3(CN(CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169558 952964883 /nfs/dbraw/zinc/96/48/83/952964883.db2.gz RUCYIUUPVXEZSN-UHFFFAOYSA-N 1 0 303.406 0.906 20 10 DCCDRO CC(C)(O)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001340787350 953195655 /nfs/dbraw/zinc/19/56/55/953195655.db2.gz WHMFHRTYBQBCNT-OAHLLOKOSA-N 1 0 321.421 0.362 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@H](O)C[NH2+]3)CC2)cc1 ZINC001341514468 953235025 /nfs/dbraw/zinc/23/50/25/953235025.db2.gz HQMMZTLLNWSJSF-YOEHRIQHSA-N 1 0 319.405 0.457 20 10 DCCDRO Nc1ccc(CC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC001344932426 953561591 /nfs/dbraw/zinc/56/15/91/953561591.db2.gz UKBOVIIQQUXBAA-AWEZNQCLSA-N 1 0 317.389 0.613 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2COC(=O)C2)cc1 ZINC001345810671 953738781 /nfs/dbraw/zinc/73/87/81/953738781.db2.gz FBKNERAJEBHBHV-BXUZGUMPSA-N 1 0 305.378 0.822 20 10 DCCDRO COC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001353255219 955994336 /nfs/dbraw/zinc/99/43/36/955994336.db2.gz SDIBQPGXUBFMMV-OAHLLOKOSA-N 1 0 306.410 0.882 20 10 DCCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](O)C[NH3+])ccc21 ZINC001357865107 957393384 /nfs/dbraw/zinc/39/33/84/957393384.db2.gz NLLMYZCHUNDXHJ-CQSZACIVSA-N 1 0 319.405 0.954 20 10 DCCDRO C[C@H](O)C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001498204080 1018751246 /nfs/dbraw/zinc/75/12/46/1018751246.db2.gz TYNHGCVFXCHUSJ-UWVGGRQHSA-N 1 0 307.354 0.938 20 10 DCCDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(O)c1O ZINC000272764982 130061126 /nfs/dbraw/zinc/06/11/26/130061126.db2.gz QWSCJFGVXPRMHK-GFCCVEGCSA-N 1 0 308.378 0.983 20 10 DCCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)NC(C)C)cc1C ZINC000277001148 396042697 /nfs/dbraw/zinc/04/26/97/396042697.db2.gz JYUSLKONMWVODS-UHFFFAOYSA-N 1 0 315.439 0.931 20 10 DCCDRO CCN(CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278549168 396131283 /nfs/dbraw/zinc/13/12/83/396131283.db2.gz YVXQMEHFWHYLFB-UHFFFAOYSA-N 1 0 313.354 0.713 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CCNS(=O)(=O)NC(C)C)c1 ZINC000277716731 396083444 /nfs/dbraw/zinc/08/34/44/396083444.db2.gz SEUPJTQJNXVYKJ-UHFFFAOYSA-N 1 0 317.411 0.323 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[NH2+]CCO1 ZINC000237689689 416328592 /nfs/dbraw/zinc/32/85/92/416328592.db2.gz PZLXDSKCNZQHDR-HNNXBMFYSA-N 1 0 323.368 0.267 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cc1C ZINC000980690911 660986404 /nfs/dbraw/zinc/98/64/04/660986404.db2.gz YAVFRAHSJWSXQA-JSGCOSHPSA-N 1 0 319.405 0.816 20 10 DCCDRO NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023149772 657557727 /nfs/dbraw/zinc/55/77/27/657557727.db2.gz IOQZWGGVXOIQDJ-PHIMTYICSA-N 1 0 318.337 0.185 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2cncn2)[NH+](C)C)cc1 ZINC000891251585 658088913 /nfs/dbraw/zinc/08/89/13/658088913.db2.gz BXQUJFYGCOXFLC-OAHLLOKOSA-N 1 0 316.409 0.763 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1OC ZINC000893242306 659145014 /nfs/dbraw/zinc/14/50/14/659145014.db2.gz WMOWMFZFJJESSF-VIFPVBQESA-N 1 0 303.380 0.932 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000320803389 662109556 /nfs/dbraw/zinc/10/95/56/662109556.db2.gz PUUWUYIVLQZWKV-INIZCTEOSA-N 1 0 319.405 0.722 20 10 DCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895403854 662183222 /nfs/dbraw/zinc/18/32/22/662183222.db2.gz BQWVNGHJZYCESK-UHFFFAOYSA-N 1 0 324.377 0.868 20 10 DCCDRO COc1cccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c1O ZINC000895773845 662215381 /nfs/dbraw/zinc/21/53/81/662215381.db2.gz UYEAZMPKRRUQDE-CQSZACIVSA-N 1 0 306.362 0.786 20 10 DCCDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000901121444 663321391 /nfs/dbraw/zinc/32/13/91/663321391.db2.gz DSFAEWDFVSVTFN-INIZCTEOSA-N 1 0 308.378 0.603 20 10 DCCDRO COc1ccc(O)c(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000901131750 663323563 /nfs/dbraw/zinc/32/35/63/663323563.db2.gz OMDBHTGUADJORP-MRXNPFEDSA-N 1 0 308.378 0.864 20 10 DCCDRO COc1ccc(O)c(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000901131517 663323581 /nfs/dbraw/zinc/32/35/81/663323581.db2.gz OMDBHTGUADJORP-INIZCTEOSA-N 1 0 308.378 0.864 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)cc1F ZINC000905077018 663530853 /nfs/dbraw/zinc/53/08/53/663530853.db2.gz UXOYZPMOEKSYPL-CZUORRHYSA-N 1 0 312.385 0.884 20 10 DCCDRO CCNS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908458139 663757194 /nfs/dbraw/zinc/75/71/94/663757194.db2.gz QMCUKIPVDXYNMK-AWEZNQCLSA-N 1 0 314.455 0.799 20 10 DCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000861749765 666971845 /nfs/dbraw/zinc/97/18/45/666971845.db2.gz JEUJJWJQADRZFI-LBPRGKRZSA-N 1 0 318.421 0.491 20 10 DCCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861766527 666975948 /nfs/dbraw/zinc/97/59/48/666975948.db2.gz PIJNNKJQDAZOGZ-CQSZACIVSA-N 1 0 316.405 0.381 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CCCC[N@H+](CCO)C2)cc(OC)n1 ZINC001034289072 666978882 /nfs/dbraw/zinc/97/88/82/666978882.db2.gz RGCUCDQGRQHZJZ-ZDUSSCGKSA-N 1 0 323.393 0.675 20 10 DCCDRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(F)ccc1O ZINC000866551688 667380332 /nfs/dbraw/zinc/38/03/32/667380332.db2.gz BYAYXLCDPNMXEM-MEDUHNTESA-N 1 0 324.352 0.810 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884531852 667561890 /nfs/dbraw/zinc/56/18/90/667561890.db2.gz WUIZJSJDPSQKLQ-GXTWGEPZSA-N 1 0 318.421 0.625 20 10 DCCDRO NS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000740877829 667753909 /nfs/dbraw/zinc/75/39/09/667753909.db2.gz LWANZSIHTQWOQK-CYBMUJFWSA-N 1 0 314.407 0.662 20 10 DCCDRO O=C1NCCN1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000886324319 667757014 /nfs/dbraw/zinc/75/70/14/667757014.db2.gz IWEWIKWJJHQVFG-UHFFFAOYSA-N 1 0 322.384 0.777 20 10 DCCDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000872255101 667882883 /nfs/dbraw/zinc/88/28/83/667882883.db2.gz JPHXFWVUYPQOCT-YUTCNCBUSA-N 1 0 321.352 0.898 20 10 DCCDRO CN(C)c1ccc(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc1F ZINC000924542651 668216674 /nfs/dbraw/zinc/21/66/74/668216674.db2.gz NCXXKDNCWUJFQI-LBPRGKRZSA-N 1 0 308.357 0.874 20 10 DCCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876522707 668460772 /nfs/dbraw/zinc/46/07/72/668460772.db2.gz ZYTNTVJMWRCPOL-CQSZACIVSA-N 1 0 324.446 0.924 20 10 DCCDRO COCCNC(=O)CN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876551314 668463919 /nfs/dbraw/zinc/46/39/19/668463919.db2.gz TZQZJMTUYKEZBV-UHFFFAOYSA-N 1 0 321.421 0.581 20 10 DCCDRO COC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2C)C[NH2+]CCO1 ZINC000876768104 668506153 /nfs/dbraw/zinc/50/61/53/668506153.db2.gz RTJFENMKQIPNSQ-QGZVFWFLSA-N 1 0 321.421 0.682 20 10 DCCDRO OC[C@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877336703 668603800 /nfs/dbraw/zinc/60/38/00/668603800.db2.gz SJFXULXFSBJXQI-QGZVFWFLSA-N 1 0 306.406 0.889 20 10 DCCDRO O=C(NCCO)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000768316029 668605532 /nfs/dbraw/zinc/60/55/32/668605532.db2.gz AMECKYZEQUKDFQ-UHFFFAOYSA-N 1 0 322.361 0.441 20 10 DCCDRO CN1CC[C@](O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877364329 668609604 /nfs/dbraw/zinc/60/96/04/668609604.db2.gz LTVFQYZBIZNBEF-SFHVURJKSA-N 1 0 319.449 0.804 20 10 DCCDRO Cc1cccc(O)c1C[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000877732022 668643977 /nfs/dbraw/zinc/64/39/77/668643977.db2.gz FMDJHHLBALDJIO-INIZCTEOSA-N 1 0 306.362 0.418 20 10 DCCDRO CCc1cccc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c1O ZINC000877732977 668644039 /nfs/dbraw/zinc/64/40/39/668644039.db2.gz QFJUHLBVTVLQFH-KRWDZBQOSA-N 1 0 320.389 0.672 20 10 DCCDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccccc1O ZINC000879648688 669081253 /nfs/dbraw/zinc/08/12/53/669081253.db2.gz ZHAAOMMIRZZQMC-LLVKDONJSA-N 1 0 324.406 0.755 20 10 DCCDRO C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1ccccc1O ZINC000879651543 669082401 /nfs/dbraw/zinc/08/24/01/669082401.db2.gz AGJUDMPNLYPJNX-LBPRGKRZSA-N 1 0 305.378 0.781 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1COC[C@H]1C)cc2=O ZINC000932488538 669375118 /nfs/dbraw/zinc/37/51/18/669375118.db2.gz NRFKHVHLVZXXIE-SKDRFNHKSA-N 1 0 320.349 0.736 20 10 DCCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000788376605 669435377 /nfs/dbraw/zinc/43/53/77/669435377.db2.gz ABQRLRBKPLICEW-BLLLJJGKSA-N 1 0 322.405 0.971 20 10 DCCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)CN1 ZINC000788382911 669437232 /nfs/dbraw/zinc/43/72/32/669437232.db2.gz HUGABQHMUAGCQG-XJKSGUPXSA-N 1 0 304.346 0.530 20 10 DCCDRO CC[N@H+](CCC(=O)NC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000933864432 669543302 /nfs/dbraw/zinc/54/33/02/669543302.db2.gz BUDPARGVCFQPJQ-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO C[NH+](C)CCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000791778314 669628943 /nfs/dbraw/zinc/62/89/43/669628943.db2.gz VMJXCXRNGCMKKM-UHFFFAOYSA-N 1 0 316.379 0.872 20 10 DCCDRO CN1CC[NH+]=C1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000848995502 670746653 /nfs/dbraw/zinc/74/66/53/670746653.db2.gz NDVABQLTEZPTKF-AWEZNQCLSA-N 1 0 315.421 0.779 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000817917742 670952620 /nfs/dbraw/zinc/95/26/20/670952620.db2.gz FBGKDMIJTMJKIJ-AWEZNQCLSA-N 1 0 318.421 0.661 20 10 DCCDRO O[C@H]1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858338870 670994131 /nfs/dbraw/zinc/99/41/31/670994131.db2.gz MOWANCIJJAHLRD-HNNXBMFYSA-N 1 0 323.412 0.819 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000851664496 671007554 /nfs/dbraw/zinc/00/75/54/671007554.db2.gz CBIXZMCEQRWHGT-STQMWFEESA-N 1 0 304.394 0.935 20 10 DCCDRO COC(=O)CCN1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000851841371 671043567 /nfs/dbraw/zinc/04/35/67/671043567.db2.gz PUUZWVRPALLAKA-CYBMUJFWSA-N 1 0 306.362 0.988 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000852854565 671175115 /nfs/dbraw/zinc/17/51/15/671175115.db2.gz KFFYOTWDFLHXAD-HZPDHXFCSA-N 1 0 319.405 0.708 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000825973618 671476150 /nfs/dbraw/zinc/47/61/50/671476150.db2.gz LVQABHJLCKTLEQ-CQSZACIVSA-N 1 0 304.394 0.237 20 10 DCCDRO COc1ccc(N2CCN(C(=O)COCC[NH3+])CC2)cc1F ZINC000831143325 671655888 /nfs/dbraw/zinc/65/58/88/671655888.db2.gz OLZNNQMWPBWZTJ-UHFFFAOYSA-N 1 0 311.357 0.458 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)[NH3+])cc2)CC1 ZINC000832172834 671706797 /nfs/dbraw/zinc/70/67/97/671706797.db2.gz LKCRHRGLSADNTM-ZDUSSCGKSA-N 1 0 318.421 0.709 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCNC(=O)C2)cc1 ZINC000832266379 671712710 /nfs/dbraw/zinc/71/27/10/671712710.db2.gz DYYFJBSMPNTGEV-JSGCOSHPSA-N 1 0 304.394 0.395 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(=O)n(C)n2)cc1 ZINC000832293161 671713449 /nfs/dbraw/zinc/71/34/49/671713449.db2.gz QLWIGMDHTNWECS-ZDUSSCGKSA-N 1 0 315.377 0.276 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000842035407 671977540 /nfs/dbraw/zinc/97/75/40/671977540.db2.gz GOTDTTPPXTZONA-CYBMUJFWSA-N 1 0 304.394 0.237 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000842153220 671986575 /nfs/dbraw/zinc/98/65/75/671986575.db2.gz MLFOVNGELPKYNI-CYBMUJFWSA-N 1 0 304.394 0.237 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842203366 671994177 /nfs/dbraw/zinc/99/41/77/671994177.db2.gz RYAHBTITAIUVFH-LBPRGKRZSA-N 1 0 306.410 0.656 20 10 DCCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842213023 671995789 /nfs/dbraw/zinc/99/57/89/671995789.db2.gz JJVIKIGJJQZUKL-ZDUSSCGKSA-N 1 0 318.421 0.757 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000842225254 671996903 /nfs/dbraw/zinc/99/69/03/671996903.db2.gz HLVWQZIDSCWLKM-OAHLLOKOSA-N 1 0 318.421 0.565 20 10 DCCDRO COc1c(O)c(CN2CCO[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843056428 672057065 /nfs/dbraw/zinc/05/70/65/672057065.db2.gz JQOMJYCENIKITH-CABZTGNLSA-N 1 0 311.338 0.857 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000843258200 672075526 /nfs/dbraw/zinc/07/55/26/672075526.db2.gz AFPZKOCNUYNIJF-STQMWFEESA-N 1 0 320.437 0.919 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000843490018 672103712 /nfs/dbraw/zinc/10/37/12/672103712.db2.gz VHUFTUVOFUFDQJ-BMIGLBTASA-N 1 0 323.393 0.678 20 10 DCCDRO COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846845247 672348270 /nfs/dbraw/zinc/34/82/70/672348270.db2.gz WFOIHCIEGZVHHV-QWHCGFSZSA-N 1 0 312.410 0.991 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2nnc[nH]2)cc1C ZINC001571443314 1162759756 /nfs/dbraw/zinc/75/97/56/1162759756.db2.gz NGHCEUAKVLRIHJ-LBPRGKRZSA-N 1 0 319.365 0.002 20 10 DCCDRO CO[C@H]1C[NH2+]C[C@@H]1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC001573966641 1163610015 /nfs/dbraw/zinc/61/00/15/1163610015.db2.gz LNNJRDOJJUASFH-KBPBESRZSA-N 1 0 313.423 0.159 20 10 DCCDRO CCOC(=O)C[C@@H](O)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577944616 1164855636 /nfs/dbraw/zinc/85/56/36/1164855636.db2.gz YTPRMNBTRGTAHH-ZIAGYGMSSA-N 1 0 323.393 0.183 20 10 DCCDRO COc1cc(C)c(C[NH2+]CCS(=O)(=O)N(C)C)c(O)c1 ZINC001647045128 1172648524 /nfs/dbraw/zinc/64/85/24/1172648524.db2.gz UWWIYISRYCDVPC-UHFFFAOYSA-N 1 0 302.396 0.690 20 10 DCCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cn2ccnn2)c1O ZINC001652631020 1173774011 /nfs/dbraw/zinc/77/40/11/1173774011.db2.gz ADLHQLKSBJKGFG-LLVKDONJSA-N 1 0 312.757 0.796 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnco2)cc1C ZINC001725540697 1184871161 /nfs/dbraw/zinc/87/11/61/1184871161.db2.gz IFVWCHJGSXTKLG-ZDUSSCGKSA-N 1 0 319.361 0.872 20 10 DCCDRO COc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c1O ZINC000697271704 749522092 /nfs/dbraw/zinc/52/20/92/749522092.db2.gz YVASWVFPMBXRQM-ZYHUDNBSSA-N 1 0 301.364 0.302 20 10 DCCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@H]1CC2CC[NH+]1CC2 ZINC001142635394 750101151 /nfs/dbraw/zinc/10/11/51/750101151.db2.gz LJGHOVBTPGHVRM-GFCCVEGCSA-N 1 0 306.362 0.946 20 10 DCCDRO COCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001051383166 758606863 /nfs/dbraw/zinc/60/68/63/758606863.db2.gz JSYIPGDOKALQNG-OAHLLOKOSA-N 1 0 322.405 0.967 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)Cc2nc[nH]n2)cc1C ZINC001170726937 765339327 /nfs/dbraw/zinc/33/93/27/765339327.db2.gz RXFYWTPDQXKZNI-UHFFFAOYSA-N 1 0 317.393 0.960 20 10 DCCDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCO)cc(OC)n1 ZINC001134870913 765718956 /nfs/dbraw/zinc/71/89/56/765718956.db2.gz BQMWKLQDWPCRTR-GHMZBOCLSA-N 1 0 311.382 0.578 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O)cc1C ZINC001135344471 765891623 /nfs/dbraw/zinc/89/16/23/765891623.db2.gz KXLUEEIDZSQQJG-RYUDHWBXSA-N 1 0 307.394 0.862 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)cc1C(=O)OC ZINC001170995463 766382570 /nfs/dbraw/zinc/38/25/70/766382570.db2.gz MWTVVZXJTNFIQU-UHFFFAOYSA-N 1 0 310.350 0.810 20 10 DCCDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119421233 766672160 /nfs/dbraw/zinc/67/21/60/766672160.db2.gz RUBZIUBSPLDFRI-BXUZGUMPSA-N 1 0 317.389 0.868 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC001144246757 766841685 /nfs/dbraw/zinc/84/16/85/766841685.db2.gz QRRYLCHHLAVDCU-QWHCGFSZSA-N 1 0 317.349 0.740 20 10 DCCDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001122154079 767727168 /nfs/dbraw/zinc/72/71/68/767727168.db2.gz JAYCPYIKGUKZFX-BBRMVZONSA-N 1 0 303.406 0.859 20 10 DCCDRO O=C1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCN1 ZINC001140661996 768538295 /nfs/dbraw/zinc/53/82/95/768538295.db2.gz APOCGIMBQRTIDF-UHFFFAOYSA-N 1 0 307.369 0.984 20 10 DCCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c1O ZINC001140747521 768544630 /nfs/dbraw/zinc/54/46/30/768544630.db2.gz DBOJLKXEOUTFGB-UHFFFAOYSA-N 1 0 306.362 0.887 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)c(O)c1 ZINC001232838750 769338420 /nfs/dbraw/zinc/33/84/20/769338420.db2.gz DBTGDLLHDJYNBF-UHFFFAOYSA-N 1 0 320.437 0.840 20 10 DCCDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2cc(O)c(O)c(O)c2)O1 ZINC001233011000 769342085 /nfs/dbraw/zinc/34/20/85/769342085.db2.gz BFRZVQYSGNLSAM-LERXQTSPSA-N 1 0 322.361 0.623 20 10 DCCDRO COCCN1C[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1=O ZINC001233484274 769369561 /nfs/dbraw/zinc/36/95/61/769369561.db2.gz FFXKYSLEIMAADB-RYUDHWBXSA-N 1 0 322.361 0.340 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)Cn2cncn2)cc1C ZINC001150243613 769701142 /nfs/dbraw/zinc/70/11/42/769701142.db2.gz GSFJQBQOLVGSPB-UHFFFAOYSA-N 1 0 303.366 0.501 20 10 DCCDRO O=S1(=O)CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236295142 769988911 /nfs/dbraw/zinc/98/89/11/769988911.db2.gz PSUCSDFVPQJVFX-HOCLYGCPSA-N 1 0 321.446 0.325 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](CO)C3)c(F)c2)CC1 ZINC001236930914 770024620 /nfs/dbraw/zinc/02/46/20/770024620.db2.gz GWZYFLFLWIHSER-MRXNPFEDSA-N 1 0 323.412 0.771 20 10 DCCDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204272422 771130032 /nfs/dbraw/zinc/13/00/32/771130032.db2.gz AFVCYZYYAPIDOR-GDBMZVCRSA-N 1 0 306.362 0.825 20 10 DCCDRO O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001161883451 772294776 /nfs/dbraw/zinc/29/47/76/772294776.db2.gz BXIZJYNIUBIYKB-VXGBXAGGSA-N 1 0 324.352 0.908 20 10 DCCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206468838 773079436 /nfs/dbraw/zinc/07/94/36/773079436.db2.gz LAPNRDLYLPOPDR-IINYFYTJSA-N 1 0 304.346 0.558 20 10 DCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000400226219 774024367 /nfs/dbraw/zinc/02/43/67/774024367.db2.gz YKGMONPNELQPBL-LLVKDONJSA-N 1 0 300.380 0.524 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CCCC(N)=O)cc1C ZINC001153462436 774780466 /nfs/dbraw/zinc/78/04/66/774780466.db2.gz WJQQDWRFMRDIAN-UHFFFAOYSA-N 1 0 307.394 0.865 20 10 DCCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272970808 945160770 /nfs/dbraw/zinc/16/07/70/945160770.db2.gz BEVUDFXXRJTJSK-XUJVJEKNSA-N 1 0 306.362 0.164 20 10 DCCDRO C[NH+]1CC2(C1)CCN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)CC2 ZINC001272971731 945162338 /nfs/dbraw/zinc/16/23/38/945162338.db2.gz LQCMPKKQDDXJJE-OAHLLOKOSA-N 1 0 320.389 0.555 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ccon2)cc1C ZINC001268298914 940033821 /nfs/dbraw/zinc/03/38/21/940033821.db2.gz LQLWFANZZLBSJR-CYBMUJFWSA-N 1 0 319.361 0.872 20 10 DCCDRO CN(CCC[NH2+]CCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268964531 940419796 /nfs/dbraw/zinc/41/97/96/940419796.db2.gz RTJNFBSNRRXMNG-UHFFFAOYSA-N 1 0 307.354 0.893 20 10 DCCDRO CN(C)c1ccc([C@H](O)C(=O)N2C[C@@H]3C[C@H]2C[N@H+](C)C3)cc1 ZINC001272782959 944225485 /nfs/dbraw/zinc/22/54/85/944225485.db2.gz PLWVEXHGRJGMEE-KCXAZCMYSA-N 1 0 303.406 0.949 20 10 DCCDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)c(O)c1 ZINC001277453897 944825120 /nfs/dbraw/zinc/82/51/20/944825120.db2.gz JVQMBXKDDDZPCX-ZLDLUXBVSA-N 1 0 306.362 0.866 20 10 DCCDRO COc1ccc(O)c(C[N@H+]2C[C@@H]3C(C(=O)N(C)C)=NO[C@@H]3C2)c1 ZINC001277462598 944826951 /nfs/dbraw/zinc/82/69/51/944826951.db2.gz VUDLPSBTSZZFGT-GXTWGEPZSA-N 1 0 319.361 0.676 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001249179072 945624625 /nfs/dbraw/zinc/62/46/25/945624625.db2.gz ZVQFPWJGYHVRPZ-DZGCQCFKSA-N 1 0 309.362 0.283 20 10 DCCDRO CN1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001319947777 945701865 /nfs/dbraw/zinc/70/18/65/945701865.db2.gz DEWDFWOUWDQDEC-IYBDPMFKSA-N 1 0 309.385 0.115 20 10 DCCDRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCc1ccc(N(C)C)cc1 ZINC001263092770 947804923 /nfs/dbraw/zinc/80/49/23/947804923.db2.gz DWUVFOUWMGUKJH-MRXNPFEDSA-N 1 0 320.437 0.858 20 10 DCCDRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@H]1C[NH3+] ZINC001326472113 948175043 /nfs/dbraw/zinc/17/50/43/948175043.db2.gz JIOZIQYPTDWRJZ-OCCSQVGLSA-N 1 0 319.405 0.936 20 10 DCCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@@H]2C1 ZINC001332149885 951500600 /nfs/dbraw/zinc/50/06/00/951500600.db2.gz FMCUVWQGISWARN-DVOMOZLQSA-N 1 0 318.373 0.728 20 10 DCCDRO CCOc1ccc(N2CC[NH+](CCc3nnnn3C)CC2)cc1 ZINC001333024160 951885241 /nfs/dbraw/zinc/88/52/41/951885241.db2.gz VLWSVDQLHSMYPV-UHFFFAOYSA-N 1 0 316.409 0.974 20 10 DCCDRO CN1CC[N@H+](Cc2ccc(O)cc2O)C[C@@]2(CCCC(=O)N2)C1 ZINC001275949584 952553464 /nfs/dbraw/zinc/55/34/64/952553464.db2.gz HQLUQYCDMMUPQU-QGZVFWFLSA-N 1 0 319.405 0.884 20 10 DCCDRO O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC001340100219 953143902 /nfs/dbraw/zinc/14/39/02/953143902.db2.gz QEYKHPOANDRFMC-WCQYABFASA-N 1 0 315.373 0.302 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1 ZINC001340151372 953149260 /nfs/dbraw/zinc/14/92/60/953149260.db2.gz NLCSEOUQICJMML-PBHICJAKSA-N 1 0 303.406 0.995 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001341321736 953223570 /nfs/dbraw/zinc/22/35/70/953223570.db2.gz WBKVBZMLFCVNPJ-CZUORRHYSA-N 1 0 323.437 0.806 20 10 DCCDRO CC[NH+](CC)CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001344783456 953530594 /nfs/dbraw/zinc/53/05/94/953530594.db2.gz DQBLMMMJBCMGFP-UHFFFAOYSA-N 1 0 307.394 0.809 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC001346163469 953810053 /nfs/dbraw/zinc/81/00/53/953810053.db2.gz SKSYBBAXRRNUFK-UHFFFAOYSA-N 1 0 319.453 0.975 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001350086896 954988947 /nfs/dbraw/zinc/98/89/47/954988947.db2.gz WGLIWANQXNJOPN-AYGBPOKTSA-N 1 0 323.412 0.551 20 10 DCCDRO C[NH2+]CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001353171192 955955535 /nfs/dbraw/zinc/95/55/35/955955535.db2.gz MIXPFPWZDKPNTF-UHFFFAOYSA-N 1 0 304.394 0.224 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001472257948 1016775962 /nfs/dbraw/zinc/77/59/62/1016775962.db2.gz AWZZCUGKEXRAMY-KGLIPLIRSA-N 1 0 320.389 0.698 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)c1O ZINC000092067923 395728955 /nfs/dbraw/zinc/72/89/55/395728955.db2.gz WVPCGBCFGAFELP-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO C[C@H](CNC(=O)c1cccc(O)c1O)C[NH+]1CCN(C)CC1 ZINC000187144395 396364347 /nfs/dbraw/zinc/36/43/47/396364347.db2.gz JOEKCJZKSGCUBS-GFCCVEGCSA-N 1 0 307.394 0.711 20 10 DCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000289784689 415717853 /nfs/dbraw/zinc/71/78/53/415717853.db2.gz JGHFNALPGCEBPG-CQSZACIVSA-N 1 0 319.405 0.966 20 10 DCCDRO C[C@@H](CC(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247077 658079653 /nfs/dbraw/zinc/07/96/53/658079653.db2.gz HEMPFNIBSLFUBU-SWLSCSKDSA-N 1 0 320.437 0.983 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2)[NH+](C)C)cc1 ZINC000891247832 658081780 /nfs/dbraw/zinc/08/17/80/658081780.db2.gz VOICWKQJPRGLRN-GJZGRUSLSA-N 1 0 318.421 0.750 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)CC1 ZINC000892123595 658203035 /nfs/dbraw/zinc/20/30/35/658203035.db2.gz ATEBKTODGOBXGG-NSCUHMNNSA-N 1 0 317.437 0.753 20 10 DCCDRO CN(CCC[NH2+]Cc1cc2c(cc1O)OCO2)S(C)(=O)=O ZINC000725847202 658781309 /nfs/dbraw/zinc/78/13/09/658781309.db2.gz GJQUOJINHJMQSH-UHFFFAOYSA-N 1 0 316.379 0.492 20 10 DCCDRO OCCOCC[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000930705753 659253606 /nfs/dbraw/zinc/25/36/06/659253606.db2.gz SCLNEXCOPHNUIF-UHFFFAOYSA-N 1 0 324.421 0.326 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC000930737418 659277724 /nfs/dbraw/zinc/27/77/24/659277724.db2.gz MOLNREKZEJVFMS-DOTOQJQBSA-N 1 0 306.406 0.698 20 10 DCCDRO CNC(=O)[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893491411 659601404 /nfs/dbraw/zinc/60/14/04/659601404.db2.gz STVMULQTOOJOFX-GFCCVEGCSA-N 1 0 310.350 0.356 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]3CO)cc2)CC1 ZINC000896443734 662271788 /nfs/dbraw/zinc/27/17/88/662271788.db2.gz AXGMGACZFZCODB-INIZCTEOSA-N 1 0 318.421 0.715 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897057411 662386909 /nfs/dbraw/zinc/38/69/09/662386909.db2.gz BFOYRPUICKLAHI-LLVKDONJSA-N 1 0 314.407 0.901 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1 ZINC000897061132 662388156 /nfs/dbraw/zinc/38/81/56/662388156.db2.gz KFAFHSAKXLLSSY-JTQLQIEISA-N 1 0 300.380 0.511 20 10 DCCDRO CCc1cccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1O ZINC000897276761 662423101 /nfs/dbraw/zinc/42/31/01/662423101.db2.gz AXUKHXDIXMOXJE-ZDUSSCGKSA-N 1 0 311.407 0.289 20 10 DCCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1CS(N)(=O)=O ZINC000897610997 662912460 /nfs/dbraw/zinc/91/24/60/662912460.db2.gz YTLRYRVUEKBQSL-KOLCDFICSA-N 1 0 302.371 0.888 20 10 DCCDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000898359307 662948839 /nfs/dbraw/zinc/94/88/39/662948839.db2.gz OVGPAHIQBDXHPX-QWHCGFSZSA-N 1 0 324.377 0.940 20 10 DCCDRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000902522642 663418061 /nfs/dbraw/zinc/41/80/61/663418061.db2.gz GEMHMBHQBOLXGF-NSHDSACASA-N 1 0 310.419 0.991 20 10 DCCDRO COc1ccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1C ZINC000903968815 663499351 /nfs/dbraw/zinc/49/93/51/663499351.db2.gz OPOAPCPZOVIFCL-CQSZACIVSA-N 1 0 312.435 0.870 20 10 DCCDRO COCC[NH2+]CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165187814 664404631 /nfs/dbraw/zinc/40/46/31/664404631.db2.gz WQKJMNJGRDKYLK-UHFFFAOYSA-N 1 0 307.394 0.375 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000230666885 664623205 /nfs/dbraw/zinc/62/32/05/664623205.db2.gz UHUBOVFYLXWDBP-JTQLQIEISA-N 1 0 302.396 0.991 20 10 DCCDRO COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015102014 664688628 /nfs/dbraw/zinc/68/86/28/664688628.db2.gz HSODXSLDDYODAP-AAEUAGOBSA-N 1 0 323.393 0.938 20 10 DCCDRO C/C=C/[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838598 665184921 /nfs/dbraw/zinc/18/49/21/665184921.db2.gz KBMKKCBGAXUMDK-QDLOVBKTSA-N 1 0 303.406 0.992 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861582783 666947105 /nfs/dbraw/zinc/94/71/05/666947105.db2.gz JOKWBMOWKREQJL-CQSZACIVSA-N 1 0 306.410 0.849 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863752369 667175608 /nfs/dbraw/zinc/17/56/08/667175608.db2.gz DIEPIMNVYWBNTR-GFCCVEGCSA-N 1 0 307.394 0.936 20 10 DCCDRO C[NH+]1CCN(CCn2cc(COc3ccc(N)cc3)nn2)CC1 ZINC000864624278 667267281 /nfs/dbraw/zinc/26/72/81/667267281.db2.gz XAJUQWQYWLAELZ-UHFFFAOYSA-N 1 0 316.409 0.687 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C[C@@]23COCCN2C(=O)COC3)cc1C ZINC000865798810 667348195 /nfs/dbraw/zinc/34/81/95/667348195.db2.gz ZAXUBKPFOIXPEQ-KRWDZBQOSA-N 1 0 320.389 0.726 20 10 DCCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000886251741 667746563 /nfs/dbraw/zinc/74/65/63/667746563.db2.gz JZDZWYVFMXNEQK-AYGBPOKTSA-N 1 0 306.406 0.622 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)O[C@H]3CNOC3)cc2)CC1 ZINC000924004829 668185321 /nfs/dbraw/zinc/18/53/21/668185321.db2.gz BRDOMTGZKYZGDM-HNNXBMFYSA-N 1 0 320.393 0.568 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000761215844 668314283 /nfs/dbraw/zinc/31/42/83/668314283.db2.gz JGBHYOMVNCALTI-UHFFFAOYSA-N 1 0 305.334 0.575 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CO)C1CC1)cc2=O ZINC000763087111 668396839 /nfs/dbraw/zinc/39/68/39/668396839.db2.gz TVCXVBZEAYBLLJ-LBPRGKRZSA-N 1 0 320.349 0.472 20 10 DCCDRO CC[C@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507286 668457836 /nfs/dbraw/zinc/45/78/36/668457836.db2.gz ZVZHPLRSAUPFAI-PBHICJAKSA-N 1 0 318.421 0.785 20 10 DCCDRO COC[C@]1(C(=O)NCc2ccc(N(C)C)cc2C)C[NH2+]CCO1 ZINC000876768102 668506147 /nfs/dbraw/zinc/50/61/47/668506147.db2.gz RTJFENMKQIPNSQ-KRWDZBQOSA-N 1 0 321.421 0.682 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C3([NH3+])CC3)CC2)c(OC)c1 ZINC000877227766 668578850 /nfs/dbraw/zinc/57/88/50/668578850.db2.gz OXHVIKYZRJHZLH-UHFFFAOYSA-N 1 0 305.378 0.844 20 10 DCCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1OC ZINC000768464079 668610543 /nfs/dbraw/zinc/61/05/43/668610543.db2.gz NEZRIZGWHCOTSD-WBMJQRKESA-N 1 0 308.378 0.924 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1O ZINC000877592394 668632290 /nfs/dbraw/zinc/63/22/90/668632290.db2.gz OHXNTIZRFDWZRT-QAPCUYQASA-N 1 0 320.433 0.823 20 10 DCCDRO CNS(=O)(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769388635 668644958 /nfs/dbraw/zinc/64/49/58/668644958.db2.gz DOWCZPJRNFOMEA-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO CCN1C(=O)[C@H]2C[N@H+](Cc3c(O)cccc3OC)CCN2C1=O ZINC000770292330 668687526 /nfs/dbraw/zinc/68/75/26/668687526.db2.gz PHNNSRZFLJCVQC-GFCCVEGCSA-N 1 0 319.361 0.869 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000770387885 668690821 /nfs/dbraw/zinc/69/08/21/668690821.db2.gz QLPPHUFECPELJA-SNVBAGLBSA-N 1 0 300.380 0.524 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)c(OC)c1 ZINC000879461340 669038924 /nfs/dbraw/zinc/03/89/24/669038924.db2.gz AUDNKIIUAOMZIX-CYBMUJFWSA-N 1 0 319.405 0.962 20 10 DCCDRO NC(=O)[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000930887641 669101271 /nfs/dbraw/zinc/10/12/71/669101271.db2.gz PBSYJBKCIAYZAV-INIZCTEOSA-N 1 0 305.378 0.257 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352875 670552010 /nfs/dbraw/zinc/55/20/10/670552010.db2.gz MBBPXMGYNKBDPT-KQIUPUNMSA-N 1 0 317.389 0.617 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H](O)C3CC3)cc2)CC1 ZINC000849326301 670777489 /nfs/dbraw/zinc/77/74/89/670777489.db2.gz GOXSYFTUTPTFRO-INIZCTEOSA-N 1 0 324.446 0.782 20 10 DCCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850360433 670909631 /nfs/dbraw/zinc/90/96/31/670909631.db2.gz FMIRJGBVZNPGBC-ZANVPECISA-N 1 0 315.347 0.023 20 10 DCCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCc3nnnn3CC1)OCO2 ZINC000817419896 670920930 /nfs/dbraw/zinc/92/09/30/670920930.db2.gz ZEVUVRKFZSQWLZ-SNVBAGLBSA-N 1 0 303.322 0.602 20 10 DCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817993436 670959982 /nfs/dbraw/zinc/95/99/82/670959982.db2.gz JGHNHQYAAFSMIB-GFCCVEGCSA-N 1 0 306.410 0.517 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000817996036 670960719 /nfs/dbraw/zinc/96/07/19/670960719.db2.gz REDVOUNURQTXRU-AWEZNQCLSA-N 1 0 321.377 0.234 20 10 DCCDRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000851684485 671012616 /nfs/dbraw/zinc/01/26/16/671012616.db2.gz HVVFLOGCHMOENH-UHFFFAOYSA-N 1 0 316.405 0.486 20 10 DCCDRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000851684756 671012983 /nfs/dbraw/zinc/01/29/83/671012983.db2.gz KRTVDAQZQGFHJA-UHFFFAOYSA-N 1 0 318.421 0.492 20 10 DCCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964338 671080629 /nfs/dbraw/zinc/08/06/29/671080629.db2.gz RVZIXYLDPLGOEJ-UHFFFAOYSA-N 1 0 322.434 0.914 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C3=NO[C@H](C[NH3+])C3)ccc21 ZINC000852863896 671178273 /nfs/dbraw/zinc/17/82/73/671178273.db2.gz SWZYCXFALAYSQT-ZDUSSCGKSA-N 1 0 302.378 0.789 20 10 DCCDRO CC1CCN(c2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)CC1 ZINC000852866979 671179678 /nfs/dbraw/zinc/17/96/78/671179678.db2.gz OLUZURZFENGVHB-UHFFFAOYSA-N 1 0 303.406 0.873 20 10 DCCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868744 671179924 /nfs/dbraw/zinc/17/99/24/671179924.db2.gz LYVGXRJBFHGTPY-MRXNPFEDSA-N 1 0 321.421 0.628 20 10 DCCDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(F)ccc(O)c1O ZINC000825643742 671468781 /nfs/dbraw/zinc/46/87/81/671468781.db2.gz KCVGUFDPGMVSOW-VHSXEESVSA-N 1 0 310.325 0.830 20 10 DCCDRO [NH3+]CCOCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003922 671565586 /nfs/dbraw/zinc/56/55/86/671565586.db2.gz VBKJYXMEXLLHLV-CQSZACIVSA-N 1 0 308.378 0.875 20 10 DCCDRO CCN1CCO[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283724 671713095 /nfs/dbraw/zinc/71/30/95/671713095.db2.gz AONKZBPNIXEFQD-HOTGVXAUSA-N 1 0 320.437 0.589 20 10 DCCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)N(C)C)c(Cl)c1 ZINC000840946611 671906975 /nfs/dbraw/zinc/90/69/75/671906975.db2.gz BPBCLEFBNGURMG-UHFFFAOYSA-N 1 0 321.830 0.840 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000842035177 671977378 /nfs/dbraw/zinc/97/73/78/671977378.db2.gz DRPXVUMTPQNTLG-KGLIPLIRSA-N 1 0 318.421 0.755 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1F ZINC000842147877 671985662 /nfs/dbraw/zinc/98/56/62/671985662.db2.gz HZGARCUEVJAGLW-CYBMUJFWSA-N 1 0 322.384 0.361 20 10 DCCDRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2ccc(N)cc2)CCC1 ZINC000842154797 671986826 /nfs/dbraw/zinc/98/68/26/671986826.db2.gz XLMMSTKNTJWUSO-UHFFFAOYSA-N 1 0 318.421 0.528 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000842153962 671986860 /nfs/dbraw/zinc/98/68/60/671986860.db2.gz QWSZIFWLHWDEIR-LLVKDONJSA-N 1 0 306.410 0.388 20 10 DCCDRO C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[N@H+](C)C1CC1 ZINC000842194102 671992467 /nfs/dbraw/zinc/99/24/67/671992467.db2.gz SCXJOFUAHKCVHN-GFCCVEGCSA-N 1 0 318.421 0.526 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000842230060 671997512 /nfs/dbraw/zinc/99/75/12/671997512.db2.gz QFABNUNHVIANSF-CYBMUJFWSA-N 1 0 320.437 0.953 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccn(C)n2)cc1 ZINC000842786119 672037362 /nfs/dbraw/zinc/03/73/62/672037362.db2.gz UFXDLNWICBDJJH-CYBMUJFWSA-N 1 0 323.422 0.464 20 10 DCCDRO CC(C)NS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785988 672037509 /nfs/dbraw/zinc/03/75/09/672037509.db2.gz YACRMYCLJBHJLH-CYBMUJFWSA-N 1 0 300.428 0.585 20 10 DCCDRO CN(C)c1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000843046846 672055971 /nfs/dbraw/zinc/05/59/71/672055971.db2.gz FFUOMMOQVYTATF-UHFFFAOYSA-N 1 0 308.401 0.755 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](O)C2CCOCC2)cc1 ZINC000843298137 672080138 /nfs/dbraw/zinc/08/01/38/672080138.db2.gz MPXSTHAITPXKCZ-HZPDHXFCSA-N 1 0 321.421 0.656 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000843490020 672103664 /nfs/dbraw/zinc/10/36/64/672103664.db2.gz VHUFTUVOFUFDQJ-BONVTDFDSA-N 1 0 323.393 0.678 20 10 DCCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000846033669 672290612 /nfs/dbraw/zinc/29/06/12/672290612.db2.gz LFBWRPVLVCULLZ-SNVBAGLBSA-N 1 0 300.380 0.524 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001578426889 1165012638 /nfs/dbraw/zinc/01/26/38/1165012638.db2.gz IPRAENZNHMHFPC-MLGOLLRUSA-N 1 0 305.378 0.591 20 10 DCCDRO CN1CCCc2cc(CNS(=O)(=O)CC3C[NH2+]C3)ccc21 ZINC001578530283 1165047108 /nfs/dbraw/zinc/04/71/08/1165047108.db2.gz DXOQOVSTTQWKIW-UHFFFAOYSA-N 1 0 309.435 0.708 20 10 DCCDRO COC(=O)c1cn(CC[NH2+]Cc2c(C)cc(OC)cc2O)nn1 ZINC001621333069 1170229869 /nfs/dbraw/zinc/22/98/69/1170229869.db2.gz CYTVJRMCAADHDB-UHFFFAOYSA-N 1 0 320.349 0.877 20 10 DCCDRO COc1cc(C)c(C[N@H+](CCO)CCN2CCOCC2)c(O)c1 ZINC001651914059 1173758076 /nfs/dbraw/zinc/75/80/76/1173758076.db2.gz WFEIYWIZRUVGEU-UHFFFAOYSA-N 1 0 324.421 0.836 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cn2cncn2)cc1C ZINC001662410488 1174207271 /nfs/dbraw/zinc/20/72/71/1174207271.db2.gz PEANPSPLWBSYIM-CYBMUJFWSA-N 1 0 317.393 0.890 20 10 DCCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CCO ZINC001700433140 1178615154 /nfs/dbraw/zinc/61/51/54/1178615154.db2.gz YSVCUXOSSBJRJS-VHSXEESVSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CC(C)(C)O)cc1C ZINC001732641987 1185889298 /nfs/dbraw/zinc/88/92/98/1185889298.db2.gz PGKSHIXNKBMOHW-AWEZNQCLSA-N 1 0 324.421 0.731 20 10 DCCDRO CCC(=O)NCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124861036 751726834 /nfs/dbraw/zinc/72/68/34/751726834.db2.gz CBORUSQIDVADBS-UHFFFAOYSA-N 1 0 307.394 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O)cc1C ZINC001127153947 750554664 /nfs/dbraw/zinc/55/46/64/750554664.db2.gz GVBTZMCYWNHXIX-GFCCVEGCSA-N 1 0 322.409 0.656 20 10 DCCDRO C[NH+](C)C1CCN(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001149004644 768065395 /nfs/dbraw/zinc/06/53/95/768065395.db2.gz PIWCEYNINACCSJ-UHFFFAOYSA-N 1 0 321.421 0.783 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2COCCO2)cc1C ZINC001123877753 768069949 /nfs/dbraw/zinc/06/99/49/768069949.db2.gz VWRBURKWJIZSHR-OAHLLOKOSA-N 1 0 308.378 0.625 20 10 DCCDRO CNC(=O)C1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001135253917 765858798 /nfs/dbraw/zinc/85/87/98/765858798.db2.gz OYDREMWBHNYPGB-UHFFFAOYSA-N 1 0 319.405 0.736 20 10 DCCDRO Cn1nnc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001116833271 765917083 /nfs/dbraw/zinc/91/70/83/765917083.db2.gz KCTRSQYROIAAGM-UHFFFAOYSA-N 1 0 301.398 0.252 20 10 DCCDRO C[NH2+][C@H](C)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001117980413 766184420 /nfs/dbraw/zinc/18/44/20/766184420.db2.gz HHPFBUYUNPUDIZ-CYBMUJFWSA-N 1 0 320.437 0.825 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)CC(=O)NC2(C)C ZINC001170996426 766391275 /nfs/dbraw/zinc/39/12/75/766391275.db2.gz RLJOXNPXLUCDCV-UHFFFAOYSA-N 1 0 319.405 0.922 20 10 DCCDRO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144516367 766965493 /nfs/dbraw/zinc/96/54/93/766965493.db2.gz WMAKRGWTXSUNMP-NSHDSACASA-N 1 0 305.334 0.767 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140950457 768557880 /nfs/dbraw/zinc/55/78/80/768557880.db2.gz UOTQNMIYLZZURY-QGZVFWFLSA-N 1 0 317.389 0.623 20 10 DCCDRO COC(=O)C[C@H]1COCCN1Cc1cc(OC)c(O)cc1O ZINC001231638858 769271188 /nfs/dbraw/zinc/27/11/88/769271188.db2.gz HJBNZPULKVAMMX-NSHDSACASA-N 1 0 311.334 0.870 20 10 DCCDRO Oc1cc(O)c(CN2CCOC[C@](O)(C(F)(F)F)C2)cc1O ZINC001233482798 769368321 /nfs/dbraw/zinc/36/83/21/769368321.db2.gz CFGXAXNLWCEOGH-LBPRGKRZSA-N 1 0 323.267 0.929 20 10 DCCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233484342 769368394 /nfs/dbraw/zinc/36/83/94/769368394.db2.gz HMVJICFFSUQFFV-BLLLJJGKSA-N 1 0 308.378 0.956 20 10 DCCDRO O=C1CC[C@H]2C[C@@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)CCN12 ZINC001172144906 769435010 /nfs/dbraw/zinc/43/50/10/769435010.db2.gz BUDFPKYYUNPRKF-HUBLWGQQSA-N 1 0 306.362 0.874 20 10 DCCDRO CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037523 769701126 /nfs/dbraw/zinc/70/11/26/769701126.db2.gz PGPUUWYROCXMII-VIFPVBQESA-N 1 0 320.353 0.303 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(OC)c(OC)cc1O ZINC001236200993 769984217 /nfs/dbraw/zinc/98/42/17/769984217.db2.gz LMYBHSFTSZIIHK-QWRGUYRKSA-N 1 0 310.350 0.484 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC001236340827 769998362 /nfs/dbraw/zinc/99/83/62/769998362.db2.gz GETMDBVJBQYHIQ-CVEARBPZSA-N 1 0 319.405 0.455 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@H]1[NH3+] ZINC001236348829 770002875 /nfs/dbraw/zinc/00/28/75/770002875.db2.gz FFMOEIKTLVVHTE-GHMZBOCLSA-N 1 0 310.350 0.342 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2c(O)cc(OC)cc2Cl)C[C@H]1[NH3+] ZINC001236349811 770003144 /nfs/dbraw/zinc/00/31/44/770003144.db2.gz HOWAMBHBXIRGMH-CMPLNLGQSA-N 1 0 314.769 0.986 20 10 DCCDRO COC(=O)C1=Cc2cc(N(CC[NH3+])CCO)cc(OC)c2OC1 ZINC001163838886 772580738 /nfs/dbraw/zinc/58/07/38/772580738.db2.gz DMQJWTRGROSHFI-UHFFFAOYSA-N 1 0 322.361 0.401 20 10 DCCDRO Nc1ccc(CC(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219838720 774624251 /nfs/dbraw/zinc/62/42/51/774624251.db2.gz UARZMBGEKRWCHL-PBHICJAKSA-N 1 0 319.405 0.323 20 10 DCCDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)Cc2ccc(N)cc2)O1 ZINC001220481304 774822754 /nfs/dbraw/zinc/82/27/54/774822754.db2.gz CTUYNCFXDMTUFM-IIAWOOMASA-N 1 0 307.394 0.652 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCOC2)cc1C ZINC001278054118 945119342 /nfs/dbraw/zinc/11/93/42/945119342.db2.gz OCIMKQJCMNFDEI-LSDHHAIUSA-N 1 0 322.405 0.607 20 10 DCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CN1 ZINC001246075539 945332380 /nfs/dbraw/zinc/33/23/80/945332380.db2.gz VLSSSOQLYDCMGQ-UHIISALHSA-N 1 0 310.350 0.014 20 10 DCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CN1 ZINC001246075536 945332842 /nfs/dbraw/zinc/33/28/42/945332842.db2.gz VLSSSOQLYDCMGQ-COPLHBTASA-N 1 0 310.350 0.014 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CN1 ZINC001246105391 945338391 /nfs/dbraw/zinc/33/83/91/945338391.db2.gz BGJMDKOXHGOJNM-ZBFHGGJFSA-N 1 0 319.405 0.516 20 10 DCCDRO CN(C)c1ccc([C@@H](O)C(=O)N2CC3(C2)CC[N@H+](C)C3)cc1 ZINC001272779876 944223393 /nfs/dbraw/zinc/22/33/93/944223393.db2.gz RETAUNMGUGHFHE-OAHLLOKOSA-N 1 0 303.406 0.950 20 10 DCCDRO O=C(NCC1COC1)[C@H]1CC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277657938 944930605 /nfs/dbraw/zinc/93/06/05/944930605.db2.gz UYOGGFCYDNRJGA-CQSZACIVSA-N 1 0 318.373 0.682 20 10 DCCDRO C[N@H+](CCNS(C)(=O)=O)Cc1c(O)ccc2ccncc21 ZINC001318566438 945404580 /nfs/dbraw/zinc/40/45/80/945404580.db2.gz NGOXUCKJDVTHPE-UHFFFAOYSA-N 1 0 309.391 0.921 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001249179074 945625169 /nfs/dbraw/zinc/62/51/69/945625169.db2.gz ZVQFPWJGYHVRPZ-UKRRQHHQSA-N 1 0 309.362 0.283 20 10 DCCDRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001256011988 946571604 /nfs/dbraw/zinc/57/16/04/946571604.db2.gz VJYJPUDVYQPLPQ-FZMZJTMJSA-N 1 0 310.350 0.952 20 10 DCCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001256314995 946607748 /nfs/dbraw/zinc/60/77/48/946607748.db2.gz BSEAUXKNZXNCER-NHYWBVRUSA-N 1 0 324.377 0.358 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCCOCC[NH+](C)C ZINC001323350121 947046971 /nfs/dbraw/zinc/04/69/71/947046971.db2.gz DEWNWMKAVFKEBF-UHFFFAOYSA-N 1 0 323.393 0.045 20 10 DCCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1=O ZINC001273672037 948016665 /nfs/dbraw/zinc/01/66/65/948016665.db2.gz WQIDACHKNLXGNS-INIZCTEOSA-N 1 0 320.345 0.774 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(N)=O)C2)cc1C ZINC001488949654 949385855 /nfs/dbraw/zinc/38/58/55/949385855.db2.gz YSOCKJNNDNVPQP-UONOGXRCSA-N 1 0 319.405 0.863 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001331178650 950995481 /nfs/dbraw/zinc/99/54/81/950995481.db2.gz DFLDAGCAVPSYNG-MQMHXKEQSA-N 1 0 319.405 0.984 20 10 DCCDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001331957757 951409174 /nfs/dbraw/zinc/40/91/74/951409174.db2.gz BEGFIRJVAKTURY-ZDUSSCGKSA-N 1 0 317.389 0.787 20 10 DCCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836240 951851857 /nfs/dbraw/zinc/85/18/57/951851857.db2.gz GJYKCDMUOKAVIO-INIZCTEOSA-N 1 0 320.345 0.774 20 10 DCCDRO C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001275046453 951940606 /nfs/dbraw/zinc/94/06/06/951940606.db2.gz TYNHGCVFXCHUSJ-NXEZZACHSA-N 1 0 307.354 0.938 20 10 DCCDRO Oc1cc(O)c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c(O)c1 ZINC001275112290 951959965 /nfs/dbraw/zinc/95/99/65/951959965.db2.gz BSYHWJXZXBNWMJ-UHFFFAOYSA-N 1 0 316.361 0.987 20 10 DCCDRO COCCOCN1CCO[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001275267674 952037464 /nfs/dbraw/zinc/03/74/64/952037464.db2.gz VJKZLESXVWXOJT-WBVHZDCISA-N 1 0 322.405 0.898 20 10 DCCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001333426604 952053910 /nfs/dbraw/zinc/05/39/10/952053910.db2.gz SKOHQBJDQKGGGB-JQWIXIFHSA-N 1 0 303.362 0.478 20 10 DCCDRO [NH3+][C@H](CO)Cc1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC001333911789 952196968 /nfs/dbraw/zinc/19/69/68/952196968.db2.gz GMHJRHRAMKYETI-AWEZNQCLSA-N 1 0 317.393 0.025 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2Cc1cc(F)ccc1O ZINC001275912475 952518924 /nfs/dbraw/zinc/51/89/24/952518924.db2.gz ALNMLHMFMZFABD-IYBDPMFKSA-N 1 0 323.412 0.978 20 10 DCCDRO COCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC001336905344 952782866 /nfs/dbraw/zinc/78/28/66/952782866.db2.gz FNDWYFPTQXBELQ-OAHLLOKOSA-N 1 0 306.410 0.831 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2ncc[nH]2)cc1C ZINC001283757726 954585108 /nfs/dbraw/zinc/58/51/08/954585108.db2.gz WBAHETSPHHHAJH-ZDUSSCGKSA-N 1 0 318.377 0.607 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)CC2)cc1 ZINC001352094863 955512061 /nfs/dbraw/zinc/51/20/61/955512061.db2.gz CAKPBNQEQYSJAT-VBNZEHGJSA-N 1 0 301.390 0.952 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001449079284 1014170063 /nfs/dbraw/zinc/17/00/63/1014170063.db2.gz GZKUKSMSSNTVDE-STQMWFEESA-N 1 0 306.362 0.308 20 10 DCCDRO C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C[N@@H+]1CCO ZINC001469150533 1016315948 /nfs/dbraw/zinc/31/59/48/1016315948.db2.gz KWNSGTLAPNVDEU-NEPJUHHUSA-N 1 0 308.378 0.554 20 10 DCCDRO COc1c(O)c(C[NH2+][C@@H]2C(=O)NCC2(C)C)ccc1[N+](=O)[O-] ZINC001474636278 1017026836 /nfs/dbraw/zinc/02/68/36/1017026836.db2.gz JMGLSKUKPYUQNE-GFCCVEGCSA-N 1 0 309.322 0.923 20 10 DCCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]([NH3+])CO)cc1 ZINC001521554984 1017396915 /nfs/dbraw/zinc/39/69/15/1017396915.db2.gz MJZWKDXMAQUHMS-HZPDHXFCSA-N 1 0 321.421 0.580 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C2(C[NH3+])CC(O)C2)cc1 ZINC001521893171 1017415453 /nfs/dbraw/zinc/41/54/53/1017415453.db2.gz PSVLHDLZGSNYOZ-UHFFFAOYSA-N 1 0 321.421 0.690 20 10 DCCDRO CN1C(=O)C(=CNCCC[NH+]2CCCCC2)C(=O)N(C)C1=O ZINC000069900811 190835475 /nfs/dbraw/zinc/83/54/75/190835475.db2.gz KTFAHITWIWJAPT-UHFFFAOYSA-N 1 0 308.382 0.386 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000279495024 130749173 /nfs/dbraw/zinc/74/91/73/130749173.db2.gz VJHSIPLPPHWIJY-INIZCTEOSA-N 1 0 319.361 0.965 20 10 DCCDRO C[NH+](C)[C@@H](CNC=C1C(=O)NC(=S)NC1=O)c1ccccc1 ZINC000028976016 395696566 /nfs/dbraw/zinc/69/65/66/395696566.db2.gz IAXREGJOMSFBCW-LBPRGKRZSA-N 1 0 318.402 0.294 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)C(C)(C)C(N)=O)cc1 ZINC000295315587 396691897 /nfs/dbraw/zinc/69/18/97/396691897.db2.gz GIBRLEZVWQBKAH-UHFFFAOYSA-N 1 0 320.437 0.907 20 10 DCCDRO CCCOc1ccc(C[NH2+]CCS(=O)(=O)NC)c(O)c1 ZINC000190311681 520366834 /nfs/dbraw/zinc/36/68/34/520366834.db2.gz DYJQXHBTQMMNHQ-UHFFFAOYSA-N 1 0 302.396 0.820 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@](C)(O)C1)cc2=O ZINC000267380933 521580774 /nfs/dbraw/zinc/58/07/74/521580774.db2.gz UVWPOOKHHFVUBZ-OAHLLOKOSA-N 1 0 320.349 0.568 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)C(N)=O)C2)cc1C ZINC000980690912 660986488 /nfs/dbraw/zinc/98/64/88/660986488.db2.gz YAVFRAHSJWSXQA-OCCSQVGLSA-N 1 0 319.405 0.816 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2COCCO2)[NH+](C)C)cc1 ZINC000891251627 658089683 /nfs/dbraw/zinc/08/96/83/658089683.db2.gz CMSKSLHTPMMLAD-CVEARBPZSA-N 1 0 321.421 0.887 20 10 DCCDRO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCO)C1 ZINC000970953309 658108957 /nfs/dbraw/zinc/10/89/57/658108957.db2.gz FFVFJGJSLCKEOY-SNVBAGLBSA-N 1 0 319.365 0.891 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C(N)=O)C2)cc1C ZINC001024129254 658455199 /nfs/dbraw/zinc/45/51/99/658455199.db2.gz NZJQRSWILCGIJL-AWEZNQCLSA-N 1 0 319.405 0.817 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCOCCS(C)(=O)=O)c1O ZINC000894268025 661757473 /nfs/dbraw/zinc/75/74/73/661757473.db2.gz FJPAVIUAQLQOPQ-UHFFFAOYSA-N 1 0 317.407 0.860 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000894460187 661971894 /nfs/dbraw/zinc/97/18/94/661971894.db2.gz IFIZXMWWHORLGR-LBPRGKRZSA-N 1 0 314.407 0.962 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCCn2cc(CO)nn2)c1O ZINC000894790988 662003177 /nfs/dbraw/zinc/00/31/77/662003177.db2.gz YPOSMTIQXNIOSY-UHFFFAOYSA-N 1 0 306.366 0.973 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC(O)(COCCO)CC2)c1 ZINC000895830517 662221384 /nfs/dbraw/zinc/22/13/84/662221384.db2.gz WDKVPOUXEIZGDT-UHFFFAOYSA-N 1 0 311.378 0.737 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(N)=O)[C@H]2C)cc1C ZINC000986096094 662553286 /nfs/dbraw/zinc/55/32/86/662553286.db2.gz DNHQVJPISZFQLL-JSGCOSHPSA-N 1 0 319.405 0.958 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)cc1C ZINC000988416327 662771072 /nfs/dbraw/zinc/77/10/72/662771072.db2.gz TYFYCLSVOAOGQO-OCCSQVGLSA-N 1 0 319.405 0.958 20 10 DCCDRO Cn1nnnc1CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000898042056 662936512 /nfs/dbraw/zinc/93/65/12/662936512.db2.gz HPODVAIWGWJZIC-UHFFFAOYSA-N 1 0 316.409 0.769 20 10 DCCDRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1c(O)cccc1Cl ZINC000903969543 663499788 /nfs/dbraw/zinc/49/97/88/663499788.db2.gz ZMVMADBKLBYWCO-SNVBAGLBSA-N 1 0 318.826 0.912 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)cc1 ZINC000905318263 663545896 /nfs/dbraw/zinc/54/58/96/663545896.db2.gz PMNVNYAYIJZYQF-UHFFFAOYSA-N 1 0 304.438 0.862 20 10 DCCDRO CC[NH+]1CCN(CCC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910950944 663957423 /nfs/dbraw/zinc/95/74/23/663957423.db2.gz LUNXVVGFHAQMQD-UHFFFAOYSA-N 1 0 307.394 0.742 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CSCC(=O)N2)cc1 ZINC000911666696 664096878 /nfs/dbraw/zinc/09/68/78/664096878.db2.gz KIXVMWDSSJLBKL-STQMWFEESA-N 1 0 322.434 0.100 20 10 DCCDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1cc(Cl)ccc1O ZINC000922535928 666477725 /nfs/dbraw/zinc/47/77/25/666477725.db2.gz OCKQMKHCNRUFTI-CQSZACIVSA-N 1 0 300.786 0.828 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861767837 666976506 /nfs/dbraw/zinc/97/65/06/666976506.db2.gz SASNLMQRUNUZJE-LBPRGKRZSA-N 1 0 306.410 0.737 20 10 DCCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c(O)c1 ZINC000866554441 667380777 /nfs/dbraw/zinc/38/07/77/667380777.db2.gz RDYGPZRAIDHWFG-CXAGYDPISA-N 1 0 320.389 0.979 20 10 DCCDRO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccccc1O ZINC000866556012 667381522 /nfs/dbraw/zinc/38/15/22/667381522.db2.gz PITOGDKYYQOPEB-BLLLJJGKSA-N 1 0 306.362 0.671 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)cc1C ZINC001036158169 667428867 /nfs/dbraw/zinc/42/88/67/667428867.db2.gz AISPKHJRVQQDKL-OCCSQVGLSA-N 1 0 319.405 0.816 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884202520 667497030 /nfs/dbraw/zinc/49/70/30/667497030.db2.gz AGZRQBHYHSDPMV-WFASDCNBSA-N 1 0 307.394 0.674 20 10 DCCDRO CONC(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000872792331 667939461 /nfs/dbraw/zinc/93/94/61/667939461.db2.gz SMGTYAUJCNONGL-AWEZNQCLSA-N 1 0 322.361 0.708 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC(CO)C3)cc2)CC1 ZINC000889665691 667981957 /nfs/dbraw/zinc/98/19/57/667981957.db2.gz VGYPANVDVMHVFV-UHFFFAOYSA-N 1 0 318.421 0.572 20 10 DCCDRO C[NH+](C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000876732093 668498030 /nfs/dbraw/zinc/49/80/30/668498030.db2.gz WMWNPDWWCIJJEU-AWEZNQCLSA-N 1 0 324.400 0.167 20 10 DCCDRO Cc1nc(=NCc2ccc(N3CC[NH+](C)CC3)cc2)n(C)[nH]1 ZINC000767290564 668567250 /nfs/dbraw/zinc/56/72/50/668567250.db2.gz KDNQGGXYTALEGG-UHFFFAOYSA-N 1 0 300.410 0.909 20 10 DCCDRO COc1cccc(C[NH+]2CCC(C(=O)NCCO)CC2)c1O ZINC000768316185 668605403 /nfs/dbraw/zinc/60/54/03/668605403.db2.gz FGZZIYCFMDVWAD-UHFFFAOYSA-N 1 0 308.378 0.721 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)[C@H](O)C1)cc2=O ZINC000768766967 668620564 /nfs/dbraw/zinc/62/05/64/668620564.db2.gz LKUYIRAELSVCQI-BXKDBHETSA-N 1 0 320.349 0.424 20 10 DCCDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)NC(C)C)c(O)c1 ZINC000877476328 668621766 /nfs/dbraw/zinc/62/17/66/668621766.db2.gz AVIIJOYNEPQFSH-UHFFFAOYSA-N 1 0 301.412 0.623 20 10 DCCDRO C[C@]12C[NH+](Cc3cc4c(cc3O)OCO4)C[C@]1(C)C(=O)NC2=O ZINC000877668445 668637776 /nfs/dbraw/zinc/63/77/76/668637776.db2.gz IPZHMUFCVOLVEN-HZPDHXFCSA-N 1 0 318.329 0.606 20 10 DCCDRO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000879653056 669082299 /nfs/dbraw/zinc/08/22/99/669082299.db2.gz LKVNUSOGXDCLES-LBPRGKRZSA-N 1 0 305.378 0.734 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)cc1 ZINC000931660274 669243119 /nfs/dbraw/zinc/24/31/19/669243119.db2.gz DMXHLFOMXYPTCO-HNNXBMFYSA-N 1 0 318.421 0.483 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3=COCCO3)cc2)CC1 ZINC000881849236 669398428 /nfs/dbraw/zinc/39/84/28/669398428.db2.gz LFFQOSRJOWLXFU-UHFFFAOYSA-N 1 0 317.389 0.943 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C(=O)[O-])CCOC3)cc2)CC1 ZINC000789901573 669517110 /nfs/dbraw/zinc/51/71/10/669517110.db2.gz AIEKBZCTNFIGDY-QGZVFWFLSA-N 1 0 319.405 0.772 20 10 DCCDRO CCOc1ccc(C[NH2+]CCn2cc(C(=O)OC)nn2)c(O)c1 ZINC000790615090 669562034 /nfs/dbraw/zinc/56/20/34/669562034.db2.gz UMAFEHNTVBNECB-UHFFFAOYSA-N 1 0 320.349 0.959 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)cc1C ZINC000840153151 670433475 /nfs/dbraw/zinc/43/34/75/670433475.db2.gz PHDGJDJHJPMNGL-JSGCOSHPSA-N 1 0 306.362 0.799 20 10 DCCDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221571 670536109 /nfs/dbraw/zinc/53/61/09/670536109.db2.gz PKORXHMDNHLZLB-HOTGVXAUSA-N 1 0 323.462 0.891 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CC4(C3)CNC(=O)O4)cc2)CC1 ZINC000817417060 670920889 /nfs/dbraw/zinc/92/08/89/670920889.db2.gz WDVMXEWPUQGEDU-UHFFFAOYSA-N 1 0 316.405 0.733 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000851633119 671001989 /nfs/dbraw/zinc/00/19/89/671001989.db2.gz ZOOYFTWYYYXDFY-UHFFFAOYSA-N 1 0 302.382 0.541 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000851639328 671002601 /nfs/dbraw/zinc/00/26/01/671002601.db2.gz DAOVTYXYFHEPJL-UONOGXRCSA-N 1 0 319.405 0.769 20 10 DCCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851686569 671013532 /nfs/dbraw/zinc/01/35/32/671013532.db2.gz PIJNNKJQDAZOGZ-AWEZNQCLSA-N 1 0 316.405 0.381 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000852900763 671190464 /nfs/dbraw/zinc/19/04/64/671190464.db2.gz RJNFXEWOZJUIJG-FWYOQMDTSA-N 1 0 301.390 0.856 20 10 DCCDRO CN(CC1C[NH+](C)C1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853824782 671271183 /nfs/dbraw/zinc/27/11/83/671271183.db2.gz QMWBAMKLFBYJJH-UHFFFAOYSA-N 1 0 306.322 0.924 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)COCC[NH3+])C2)cc1 ZINC000831748635 671683649 /nfs/dbraw/zinc/68/36/49/671683649.db2.gz IKOLWWPXHCFMFX-ZDUSSCGKSA-N 1 0 307.394 0.613 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CCCC2=O)cc1 ZINC000832279223 671713199 /nfs/dbraw/zinc/71/31/99/671713199.db2.gz HGZXGUXWLBKZBZ-AWEZNQCLSA-N 1 0 304.394 0.491 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCN(C)C(=O)C2)cc1 ZINC000832282004 671713306 /nfs/dbraw/zinc/71/33/06/671713306.db2.gz XERLAPYXQJUWOS-UKRRQHHQSA-N 1 0 318.421 0.737 20 10 DCCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842036532 671978157 /nfs/dbraw/zinc/97/81/57/671978157.db2.gz MVFRHYBHZZNLEK-CYBMUJFWSA-N 1 0 304.394 0.189 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1F ZINC000842149046 671985771 /nfs/dbraw/zinc/98/57/71/671985771.db2.gz ULWMPQUEBXYOOF-GFCCVEGCSA-N 1 0 322.384 0.376 20 10 DCCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000842153926 671987013 /nfs/dbraw/zinc/98/70/13/671987013.db2.gz QRJIDPODZMVOKK-AWEZNQCLSA-N 1 0 318.421 0.498 20 10 DCCDRO C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)c1ccc(N(C)C)cc1 ZINC000842202591 671993842 /nfs/dbraw/zinc/99/38/42/671993842.db2.gz JRUQEUWSEQIMFD-LBPRGKRZSA-N 1 0 318.421 0.798 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842201816 671994160 /nfs/dbraw/zinc/99/41/60/671994160.db2.gz CUOGYYUZRUPBGI-CYBMUJFWSA-N 1 0 318.421 0.752 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202822 671994210 /nfs/dbraw/zinc/99/42/10/671994210.db2.gz LWBBMOURIHRBIE-WCQYABFASA-N 1 0 304.394 0.489 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000842203507 671994234 /nfs/dbraw/zinc/99/42/34/671994234.db2.gz TZHSASGEPNZYTI-QWHCGFSZSA-N 1 0 318.421 0.750 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215834 671995928 /nfs/dbraw/zinc/99/59/28/671995928.db2.gz WVJXPVMUAGOIQW-UHFFFAOYSA-N 1 0 318.421 0.629 20 10 DCCDRO COCCCS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784745 672036743 /nfs/dbraw/zinc/03/67/43/672036743.db2.gz LNGTVVMRLJGCEM-CQSZACIVSA-N 1 0 315.439 0.708 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CSC(=O)N2)cc1 ZINC000843299876 672080551 /nfs/dbraw/zinc/08/05/51/672080551.db2.gz YTKUZJOZLQUJBU-NEPJUHHUSA-N 1 0 308.407 0.694 20 10 DCCDRO CNC(=O)CCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299122 672080574 /nfs/dbraw/zinc/08/05/74/672080574.db2.gz SDWRKCQHPNPURG-CQSZACIVSA-N 1 0 306.410 0.785 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844171799 672156841 /nfs/dbraw/zinc/15/68/41/672156841.db2.gz XLQNVYHEFPMBNU-ZSHCYNCHSA-N 1 0 301.390 0.605 20 10 DCCDRO C[NH2+]C[C@](C)(O)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000846219731 672301052 /nfs/dbraw/zinc/30/10/52/672301052.db2.gz FSCJAYVZPKAXAF-INIZCTEOSA-N 1 0 311.401 0.927 20 10 DCCDRO [NH3+]CCOCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000388945306 685256611 /nfs/dbraw/zinc/25/66/11/685256611.db2.gz YDJSFAVXVUJCPP-UHFFFAOYSA-N 1 0 311.357 0.254 20 10 DCCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)cc(OC)n1 ZINC001020352402 693779960 /nfs/dbraw/zinc/77/99/60/693779960.db2.gz NBQQTPSQANGUTK-DLOVCJGASA-N 1 0 309.366 0.330 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C(N)=O)cc1C ZINC001037067994 693910336 /nfs/dbraw/zinc/91/03/36/693910336.db2.gz HRZSLILKZCKSBF-ZIAGYGMSSA-N 1 0 319.405 0.863 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1O ZINC001138337607 1159060337 /nfs/dbraw/zinc/06/03/37/1159060337.db2.gz BQCJGIUYOGVTFM-GOEBONIOSA-N 1 0 318.417 0.876 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)NC(N)=O)cc1C ZINC001567012282 1160207291 /nfs/dbraw/zinc/20/72/91/1160207291.db2.gz RVJBMZCAURGDNW-NEPJUHHUSA-N 1 0 322.409 0.655 20 10 DCCDRO CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)[NH3+] ZINC001573791949 1163555444 /nfs/dbraw/zinc/55/54/44/1163555444.db2.gz NUFGTCSXGNPNMS-NSHDSACASA-N 1 0 324.377 0.816 20 10 DCCDRO Cc1ccc(O)c(CNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)c1 ZINC001579724325 1165383082 /nfs/dbraw/zinc/38/30/82/1165383082.db2.gz UFFDFNSRQNHRMA-OAHLLOKOSA-N 1 0 307.394 0.806 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC([NH2+]CCO)CC1 ZINC001580493511 1165621375 /nfs/dbraw/zinc/62/13/75/1165621375.db2.gz GNZSUROFSRFQLZ-RQOWECAXSA-N 1 0 306.362 0.684 20 10 DCCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])C(=O)NCCF ZINC001603652138 1169342641 /nfs/dbraw/zinc/34/26/41/1169342641.db2.gz XDHGBXFABDLDSB-DTWKUNHWSA-N 1 0 322.344 0.697 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1 ZINC000040825855 1171498518 /nfs/dbraw/zinc/49/85/18/1171498518.db2.gz ULHCCWAHFBNHBQ-ZDUSSCGKSA-N 1 0 313.423 0.131 20 10 DCCDRO C[N@@H+]1CCCN(CCCNC(=O)c2cccc(O)c2O)CC1 ZINC001632752296 1171623316 /nfs/dbraw/zinc/62/33/16/1171623316.db2.gz DCPIJZHLDOFYAU-UHFFFAOYSA-N 1 0 307.394 0.855 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC001639492055 1171839818 /nfs/dbraw/zinc/83/98/18/1171839818.db2.gz NHJXFXNXRNKJGY-ZDUSSCGKSA-N 1 0 308.378 0.603 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C[NH2+]CCO)C2)cc1 ZINC001662733349 1174236084 /nfs/dbraw/zinc/23/60/84/1174236084.db2.gz NGABAGOZPGTRSP-LLVKDONJSA-N 1 0 319.365 0.893 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+]C[C@H](C)CNC(C)=O)cc1 ZINC001715220655 1181720504 /nfs/dbraw/zinc/72/05/04/1181720504.db2.gz PGQSILFIEGFNIX-NSHDSACASA-N 1 0 318.381 0.533 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]c2)cc1C ZINC001717760312 1182982400 /nfs/dbraw/zinc/98/24/00/1182982400.db2.gz QTVGJELJECBJEP-AWEZNQCLSA-N 1 0 318.377 0.607 20 10 DCCDRO C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCO ZINC001725525436 1184858226 /nfs/dbraw/zinc/85/82/26/1184858226.db2.gz RKEKLLRBAPPPPL-JTQLQIEISA-N 1 0 307.354 0.891 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CC(C)(C)O)cc1C ZINC001732641991 1185889622 /nfs/dbraw/zinc/88/96/22/1185889622.db2.gz PGKSHIXNKBMOHW-CQSZACIVSA-N 1 0 324.421 0.731 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCNC(=O)C2)cc1C ZINC001125630826 747434558 /nfs/dbraw/zinc/43/45/58/747434558.db2.gz NVEWCCZDUQCMOS-AWEZNQCLSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c1O ZINC000697271703 749521975 /nfs/dbraw/zinc/52/19/75/749521975.db2.gz YVASWVFPMBXRQM-PWSUYJOCSA-N 1 0 301.364 0.302 20 10 DCCDRO CC[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001084108907 757679337 /nfs/dbraw/zinc/67/93/37/757679337.db2.gz KWEYWQFRJUWYRP-NEPJUHHUSA-N 1 0 305.338 0.644 20 10 DCCDRO COCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001051383165 758606683 /nfs/dbraw/zinc/60/66/83/758606683.db2.gz JSYIPGDOKALQNG-HNNXBMFYSA-N 1 0 322.405 0.967 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2nccnc2N)cc1C ZINC001125033152 768342236 /nfs/dbraw/zinc/34/22/36/768342236.db2.gz AGQCBOFYIUHVNL-UHFFFAOYSA-N 1 0 315.377 0.895 20 10 DCCDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001117898540 766159561 /nfs/dbraw/zinc/15/95/61/766159561.db2.gz ZEKPKFABEXYBRM-UHFFFAOYSA-N 1 0 319.405 0.905 20 10 DCCDRO COCC[NH+]1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001136411425 766288921 /nfs/dbraw/zinc/28/89/21/766288921.db2.gz MDXFHEZZVREFQG-UHFFFAOYSA-N 1 0 308.378 0.867 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)CNC(=O)N2C ZINC001170996427 766390746 /nfs/dbraw/zinc/39/07/46/766390746.db2.gz RNXVDITUGASQTG-UHFFFAOYSA-N 1 0 306.366 0.674 20 10 DCCDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001119420350 766671093 /nfs/dbraw/zinc/67/10/93/766671093.db2.gz GJFIUSWVRBIKDH-NEPJUHHUSA-N 1 0 303.362 0.621 20 10 DCCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515474 766964843 /nfs/dbraw/zinc/96/48/43/766964843.db2.gz PVMDUIJJIPTDSZ-LBPRGKRZSA-N 1 0 323.345 0.815 20 10 DCCDRO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NCc1ccccc1O ZINC001121952274 767680112 /nfs/dbraw/zinc/68/01/12/767680112.db2.gz UKPVXSFJHGXTRH-YRGRVCCFSA-N 1 0 324.402 0.031 20 10 DCCDRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)NCc1ccccc1O ZINC001121952268 767680278 /nfs/dbraw/zinc/68/02/78/767680278.db2.gz UKPVXSFJHGXTRH-BZPMIXESSA-N 1 0 324.402 0.031 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1O ZINC001140660196 768538322 /nfs/dbraw/zinc/53/83/22/768538322.db2.gz JFOKYPPMBDFEOL-WMLDXEAASA-N 1 0 324.396 0.837 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140749747 768544767 /nfs/dbraw/zinc/54/47/67/768544767.db2.gz LLHSLSWXJMRFFR-LBPRGKRZSA-N 1 0 322.361 0.660 20 10 DCCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(O)c1 ZINC001232840652 769337960 /nfs/dbraw/zinc/33/79/60/769337960.db2.gz FKZJAAKBYGBMNR-UHFFFAOYSA-N 1 0 318.377 0.632 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@H]1[NH3+] ZINC001236356761 770007151 /nfs/dbraw/zinc/00/71/51/770007151.db2.gz RQCZYZHSJUAHBH-GHMZBOCLSA-N 1 0 314.769 0.986 20 10 DCCDRO CC(=O)NC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933865 770023782 /nfs/dbraw/zinc/02/37/82/770023782.db2.gz ARPWBEQKPAIBNW-UHFFFAOYSA-N 1 0 320.412 0.898 20 10 DCCDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)Cc1ccc(N)cc1)CC2 ZINC001161479354 772231010 /nfs/dbraw/zinc/23/10/10/772231010.db2.gz KGZFYVXBTFZBRC-RHSMWYFYSA-N 1 0 317.389 0.565 20 10 DCCDRO COc1cc(OC)c(N(CC[NH3+])CCO)cc1C1OCCO1 ZINC001163836405 772579818 /nfs/dbraw/zinc/57/98/18/772579818.db2.gz BEUWMJPZTYWWAL-UHFFFAOYSA-N 1 0 312.366 0.507 20 10 DCCDRO CON(C)C(=O)[C@@H]1CCc2cc(N(CC[NH3+])CCO)ccc2O1 ZINC001163839563 772581338 /nfs/dbraw/zinc/58/13/38/772581338.db2.gz METYGWWWVCEHQG-HNNXBMFYSA-N 1 0 323.393 0.157 20 10 DCCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209279761 773582562 /nfs/dbraw/zinc/58/25/62/773582562.db2.gz YMNHAARGBYVHSJ-QLFBSQMISA-N 1 0 311.378 0.697 20 10 DCCDRO O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccc(O)c(O)c1Cl ZINC001219626075 774563759 /nfs/dbraw/zinc/56/37/59/774563759.db2.gz MVOIEZHBUOHXCJ-TVQRCGJNSA-N 1 0 318.732 0.544 20 10 DCCDRO COc1cc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c(OC)c1 ZINC001222511143 775373181 /nfs/dbraw/zinc/37/31/81/775373181.db2.gz QABRZUHALBVYBH-GJZGRUSLSA-N 1 0 321.421 0.935 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCOC2)cc1C ZINC001278054115 945119657 /nfs/dbraw/zinc/11/96/57/945119657.db2.gz OCIMKQJCMNFDEI-CABCVRRESA-N 1 0 322.405 0.607 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](O)C(C)C)cc1C ZINC001482725108 941645204 /nfs/dbraw/zinc/64/52/04/941645204.db2.gz RVUCCQUCPHYQQQ-GDBMZVCRSA-N 1 0 324.421 0.587 20 10 DCCDRO CNC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491474204 944022065 /nfs/dbraw/zinc/02/20/65/944022065.db2.gz SEXBYGFBAIHOJI-GFCCVEGCSA-N 1 0 322.409 0.527 20 10 DCCDRO O=S1(=O)CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001256374830 944094144 /nfs/dbraw/zinc/09/41/44/944094144.db2.gz OCORJIXHJIOGFU-ZDUSSCGKSA-N 1 0 301.364 0.298 20 10 DCCDRO C[C@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1ccccc1O ZINC001277442270 944819545 /nfs/dbraw/zinc/81/95/45/944819545.db2.gz VQZQEIMOHMDPKJ-JTQLQIEISA-N 1 0 301.350 0.529 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCOC2)cc1C ZINC001320199278 945763976 /nfs/dbraw/zinc/76/39/76/945763976.db2.gz AXOLTUVRDVSGDO-HUUCEWRRSA-N 1 0 322.405 0.607 20 10 DCCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001256314993 946607943 /nfs/dbraw/zinc/60/79/43/946607943.db2.gz BSEAUXKNZXNCER-ABAIWWIYSA-N 1 0 324.377 0.358 20 10 DCCDRO Fc1cc(CN2CCOC3(C[NH2+]C3)C2)ccc1N1CCOCC1 ZINC001261650099 947386453 /nfs/dbraw/zinc/38/64/53/947386453.db2.gz AOIWEIXAFMVKDM-UHFFFAOYSA-N 1 0 321.396 0.837 20 10 DCCDRO CON(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001262145156 947581313 /nfs/dbraw/zinc/58/13/13/947581313.db2.gz OZXAPALMGDAGDT-UHFFFAOYSA-N 1 0 320.393 0.074 20 10 DCCDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331635569 951209138 /nfs/dbraw/zinc/20/91/38/951209138.db2.gz GVMADHBXPBWDPC-GFCCVEGCSA-N 1 0 305.378 0.868 20 10 DCCDRO COCC[NH2+][C@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001331839811 951351729 /nfs/dbraw/zinc/35/17/29/951351729.db2.gz GAMWLQMOAOVFHJ-LBPRGKRZSA-N 1 0 323.353 0.176 20 10 DCCDRO CN(C)C(=O)CN1CCC2(C[NH+](Cc3cc(O)ccc3O)C2)C1 ZINC001275419362 952133260 /nfs/dbraw/zinc/13/32/60/952133260.db2.gz WMGRFUTZQZOMRI-UHFFFAOYSA-N 1 0 319.405 0.694 20 10 DCCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H]1C(=O)OC ZINC001334355585 952294769 /nfs/dbraw/zinc/29/47/69/952294769.db2.gz GFBCIQMULZRJJB-PHIMTYICSA-N 1 0 323.345 0.795 20 10 DCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001341321729 953223419 /nfs/dbraw/zinc/22/34/19/953223419.db2.gz WBKVBZMLFCVNPJ-BBRMVZONSA-N 1 0 323.437 0.806 20 10 DCCDRO C[C@H](NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)c1ccccc1O ZINC001341539819 953236470 /nfs/dbraw/zinc/23/64/70/953236470.db2.gz AZGAUYAEMDNLRZ-WDEREUQCSA-N 1 0 303.362 0.390 20 10 DCCDRO Nc1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC001343566024 953353599 /nfs/dbraw/zinc/35/35/99/953353599.db2.gz DBOCZRZSYCNWRS-CYBMUJFWSA-N 1 0 300.366 0.715 20 10 DCCDRO CN1CC[NH+](CCCCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001464071507 1013196395 /nfs/dbraw/zinc/19/63/95/1013196395.db2.gz DQLPFKSFDZHAJK-UHFFFAOYSA-N 1 0 321.421 0.784 20 10 DCCDRO C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(C(=O)[O-])ccc1O ZINC001593311610 994785909 /nfs/dbraw/zinc/78/59/09/994785909.db2.gz JKADDTPLPPDPOP-QMMMGPOBSA-N 1 0 318.333 0.896 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c(O)c1OC ZINC001658934592 1173927065 /nfs/dbraw/zinc/92/70/65/1173927065.db2.gz VLTRSBHMYMQXNX-KOLCDFICSA-N 1 0 315.391 0.932 20 10 DCCDRO COc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c(O)c1 ZINC000373703208 239203104 /nfs/dbraw/zinc/20/31/04/239203104.db2.gz TVYHNORTRDNSSE-CQSZACIVSA-N 1 0 305.378 0.407 20 10 DCCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1CCN1CCOCC1 ZINC000172697045 396132935 /nfs/dbraw/zinc/13/29/35/396132935.db2.gz LMXCJKCXZFYPEZ-HNNXBMFYSA-N 1 0 319.405 0.415 20 10 DCCDRO CC[N@H+](CCOCCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000282118192 396264313 /nfs/dbraw/zinc/26/43/13/396264313.db2.gz QKKWRDWXUMKREQ-UHFFFAOYSA-N 1 0 323.437 0.700 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419711153 416405405 /nfs/dbraw/zinc/40/54/05/416405405.db2.gz RQGVFSYPQFYJLB-UHFFFAOYSA-N 1 0 316.405 0.781 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000162150479 521885106 /nfs/dbraw/zinc/88/51/06/521885106.db2.gz CGJIHZRSADICJL-MRXNPFEDSA-N 1 0 308.426 0.864 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)[C@H](C)C[NH3+])CC2)cc1 ZINC000285984670 536698035 /nfs/dbraw/zinc/69/80/35/536698035.db2.gz HXWVPULXRGBQAH-CQSZACIVSA-N 1 0 320.437 0.528 20 10 DCCDRO CC(=O)N(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256281 658093783 /nfs/dbraw/zinc/09/37/83/658093783.db2.gz WXIAQMLGAQZQNB-MRXNPFEDSA-N 1 0 320.437 0.950 20 10 DCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000842094663 661658783 /nfs/dbraw/zinc/65/87/83/661658783.db2.gz ZPNQRVKPOXVAMO-SECBINFHSA-N 1 0 316.452 0.547 20 10 DCCDRO COc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)c(O)c1OC ZINC000894557680 661980954 /nfs/dbraw/zinc/98/09/54/661980954.db2.gz JDIQDCOWXHUYKX-UHFFFAOYSA-N 1 0 318.395 0.390 20 10 DCCDRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000896312222 662259685 /nfs/dbraw/zinc/25/96/85/662259685.db2.gz BJOLYKLVRZPNDJ-UHFFFAOYSA-N 1 0 324.399 0.678 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC(N)=O)C2)cc1C ZINC000988416328 662771112 /nfs/dbraw/zinc/77/11/12/662771112.db2.gz TYFYCLSVOAOGQO-TZMCWYRMSA-N 1 0 319.405 0.958 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1F ZINC000900434832 663243948 /nfs/dbraw/zinc/24/39/48/663243948.db2.gz SPIKEWIBDBGZJG-BLLLJJGKSA-N 1 0 309.385 0.963 20 10 DCCDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900813383 663284505 /nfs/dbraw/zinc/28/45/05/663284505.db2.gz YOPXFMJITVUFMC-LFHSMUGYSA-N 1 0 319.405 0.862 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1O ZINC000903279162 663451834 /nfs/dbraw/zinc/45/18/34/663451834.db2.gz PKNXKXRYTOTSHS-BLLLJJGKSA-N 1 0 310.394 0.745 20 10 DCCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1(O)CCC1 ZINC000905060857 663529358 /nfs/dbraw/zinc/52/93/58/663529358.db2.gz FCZTYRHNUNOLEO-INIZCTEOSA-N 1 0 306.406 0.889 20 10 DCCDRO CNS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460184 663755918 /nfs/dbraw/zinc/75/59/18/663755918.db2.gz OANMFZPRKVHAEQ-ZDUSSCGKSA-N 1 0 300.428 0.409 20 10 DCCDRO [NH3+]C1(CNC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000911054065 663972784 /nfs/dbraw/zinc/97/27/84/663972784.db2.gz CLMCVULPBARKRO-UHFFFAOYSA-N 1 0 314.436 0.349 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2cn[nH]n2)cc1 ZINC000911666210 664096943 /nfs/dbraw/zinc/09/69/43/664096943.db2.gz HSVCNFSULUOUCX-CQSZACIVSA-N 1 0 302.382 0.620 20 10 DCCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861750224 666971701 /nfs/dbraw/zinc/97/17/01/666971701.db2.gz OUBINTYYTCKORC-GXFFZTMASA-N 1 0 322.384 0.375 20 10 DCCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861755844 666973827 /nfs/dbraw/zinc/97/38/27/666973827.db2.gz UVGVUWUROQAFDV-CQSZACIVSA-N 1 0 314.389 0.157 20 10 DCCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000862760515 667080787 /nfs/dbraw/zinc/08/07/87/667080787.db2.gz TXHLSBHBERVRIW-AWEZNQCLSA-N 1 0 319.405 0.727 20 10 DCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000865686884 667338689 /nfs/dbraw/zinc/33/86/89/667338689.db2.gz UVMVVUUTCNUKEX-UWVGGRQHSA-N 1 0 310.350 0.557 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)cc1 ZINC000865801343 667348705 /nfs/dbraw/zinc/34/87/05/667348705.db2.gz VSWCZBGFSAWRIS-QGZVFWFLSA-N 1 0 319.405 0.470 20 10 DCCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)CCO)CC2)cc1 ZINC000754007648 668040036 /nfs/dbraw/zinc/04/00/36/668040036.db2.gz AKRIZQGGLDMPSJ-MRXNPFEDSA-N 1 0 323.437 0.102 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cnnc3)CC2)cc1 ZINC000758184699 668159351 /nfs/dbraw/zinc/15/93/51/668159351.db2.gz GPDTYYZDPSYZAS-OAHLLOKOSA-N 1 0 317.393 0.470 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)C[NH2+]CCO3)C2)cc1 ZINC000876960075 668542872 /nfs/dbraw/zinc/54/28/72/668542872.db2.gz SWIIRPLIHHUOID-GUYCJALGSA-N 1 0 319.405 0.769 20 10 DCCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3O)cc2)CC1 ZINC000877657840 668637034 /nfs/dbraw/zinc/63/70/34/668637034.db2.gz JSJLYPKBQVTFRA-IAGOWNOFSA-N 1 0 306.406 0.887 20 10 DCCDRO COc1cccc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1O ZINC000877669197 668638500 /nfs/dbraw/zinc/63/85/00/668638500.db2.gz XPHQMKXSFHZVCG-IYBDPMFKSA-N 1 0 304.346 0.885 20 10 DCCDRO COC(=O)CNC(=O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000877706218 668640201 /nfs/dbraw/zinc/64/02/01/668640201.db2.gz HYPDFFBLASCOMP-UHFFFAOYSA-N 1 0 316.741 0.433 20 10 DCCDRO CN1CC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000877870846 668654907 /nfs/dbraw/zinc/65/49/07/668654907.db2.gz GWXKQWWMAAJKNP-UHFFFAOYSA-N 1 0 302.378 0.832 20 10 DCCDRO C[C@H]1C(=O)NCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775666509 668866276 /nfs/dbraw/zinc/86/62/76/668866276.db2.gz ZODBRQINMCHDEX-AWEZNQCLSA-N 1 0 302.422 0.759 20 10 DCCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000779609018 668919650 /nfs/dbraw/zinc/91/96/50/668919650.db2.gz OIRIUGBNSTUTHK-NSHDSACASA-N 1 0 314.407 0.914 20 10 DCCDRO CCN(C)c1ccc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC000878973445 668958965 /nfs/dbraw/zinc/95/89/65/668958965.db2.gz POEUWIQEHHKTCG-KBPBESRZSA-N 1 0 304.394 0.161 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000785425779 669256018 /nfs/dbraw/zinc/25/60/18/669256018.db2.gz QEWVUCXXGOFXJZ-UHFFFAOYSA-N 1 0 320.437 0.779 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000785985893 669284026 /nfs/dbraw/zinc/28/40/26/669284026.db2.gz RVRKSPVCSJOLES-LBPRGKRZSA-N 1 0 300.380 0.654 20 10 DCCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)CN1 ZINC000788382904 669436362 /nfs/dbraw/zinc/43/63/62/669436362.db2.gz HUGABQHMUAGCQG-BBRMVZONSA-N 1 0 304.346 0.530 20 10 DCCDRO COc1ccc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c(O)c1 ZINC000793386287 669715773 /nfs/dbraw/zinc/71/57/73/669715773.db2.gz KFHULZOAGKDITB-UHFFFAOYSA-N 1 0 305.334 0.088 20 10 DCCDRO COc1ccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000794390723 669830450 /nfs/dbraw/zinc/83/04/50/669830450.db2.gz PEAFVMKZKFCGMW-GFCCVEGCSA-N 1 0 308.378 0.985 20 10 DCCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(O)c1O ZINC000855694890 670747415 /nfs/dbraw/zinc/74/74/15/670747415.db2.gz BWPYORWIZCOFCO-UHFFFAOYSA-N 1 0 323.393 0.498 20 10 DCCDRO CN(C)S(=O)(=O)N1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000858311892 670992121 /nfs/dbraw/zinc/99/21/21/670992121.db2.gz PAGWVUWMAFHBSJ-UHFFFAOYSA-N 1 0 311.407 0.202 20 10 DCCDRO Nc1nc(NCc2ccc(N3CCOCC3)c(F)c2)nc(N)[nH+]1 ZINC000858353534 670995686 /nfs/dbraw/zinc/99/56/86/670995686.db2.gz BNMGNTSFNLNWEI-UHFFFAOYSA-N 1 0 319.344 0.624 20 10 DCCDRO CO[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000852791528 671160463 /nfs/dbraw/zinc/16/04/63/671160463.db2.gz ITXCKYLMWLLIEP-IMJJTQAJSA-N 1 0 321.421 0.920 20 10 DCCDRO CO[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000852791526 671160742 /nfs/dbraw/zinc/16/07/42/671160742.db2.gz ITXCKYLMWLLIEP-BMFZPTHFSA-N 1 0 321.421 0.920 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1 ZINC000860161085 671186440 /nfs/dbraw/zinc/18/64/40/671186440.db2.gz QRUMPHIVTAFBJI-UKRRQHHQSA-N 1 0 317.389 0.474 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C[NH3+])C2)cc1 ZINC000852900436 671190711 /nfs/dbraw/zinc/19/07/11/671190711.db2.gz LTVSAWXMIVUWHF-MAZHCROVSA-N 1 0 319.405 0.754 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000852917871 671194886 /nfs/dbraw/zinc/19/48/86/671194886.db2.gz SJYIBHUVUALVMQ-UHFFFAOYSA-N 1 0 320.437 0.907 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000825943098 671475595 /nfs/dbraw/zinc/47/55/95/671475595.db2.gz WTPDMXXCNORVPP-OAHLLOKOSA-N 1 0 318.421 0.579 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000825973553 671476268 /nfs/dbraw/zinc/47/62/68/671476268.db2.gz LBCRCXDUKMTOEU-HNNXBMFYSA-N 1 0 318.421 0.627 20 10 DCCDRO CCOC(=O)NCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300259 671713817 /nfs/dbraw/zinc/71/38/17/671713817.db2.gz QGABKDOHVTXVSV-CYBMUJFWSA-N 1 0 308.382 0.615 20 10 DCCDRO CCCN(C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784088 671828164 /nfs/dbraw/zinc/82/81/64/671828164.db2.gz GGVOTAWGAMPHAO-CQSZACIVSA-N 1 0 314.455 0.929 20 10 DCCDRO Nc1ccc(NC(=O)C(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000841023366 671909531 /nfs/dbraw/zinc/90/95/31/671909531.db2.gz WCDWEDKQGMMURU-UHFFFAOYSA-N 1 0 302.378 0.762 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[NH2+]C1 ZINC000841711805 671951571 /nfs/dbraw/zinc/95/15/71/671951571.db2.gz HJDLSOYDIYBGSN-ZDUSSCGKSA-N 1 0 322.384 0.823 20 10 DCCDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000841959106 671969240 /nfs/dbraw/zinc/96/92/40/671969240.db2.gz KVNIZVKWEKFDGA-KGLIPLIRSA-N 1 0 320.437 0.908 20 10 DCCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035449 671977677 /nfs/dbraw/zinc/97/76/77/671977677.db2.gz HCSOCICCTSWFIK-GFCCVEGCSA-N 1 0 306.410 0.483 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000842037152 671977972 /nfs/dbraw/zinc/97/79/72/671977972.db2.gz WBZXOAYCEYKNJR-UHFFFAOYSA-N 1 0 304.394 0.191 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)CC[NH3+] ZINC000842072913 671980753 /nfs/dbraw/zinc/98/07/53/671980753.db2.gz QBUGFBNBIFWTKL-ZDUSSCGKSA-N 1 0 320.437 0.525 20 10 DCCDRO C[N@H+](CCNC(=O)C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000842083007 671981489 /nfs/dbraw/zinc/98/14/89/671981489.db2.gz CJIXRMZRZFJOCZ-UHFFFAOYSA-N 1 0 304.394 0.138 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)NCCCSc1nccs1 ZINC000842091108 671982260 /nfs/dbraw/zinc/98/22/60/671982260.db2.gz AIGKWGZJOGALOX-UHFFFAOYSA-N 1 0 316.452 0.467 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000842149394 671985635 /nfs/dbraw/zinc/98/56/35/671985635.db2.gz XZJISYKIEQQSLQ-LLVKDONJSA-N 1 0 322.384 0.328 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1F ZINC000842148378 671985973 /nfs/dbraw/zinc/98/59/73/671985973.db2.gz NAGITMQEEGYFNH-GFCCVEGCSA-N 1 0 322.384 0.376 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000842202715 671993995 /nfs/dbraw/zinc/99/39/95/671993995.db2.gz KRUNGGXAZMTJCP-XHDPSFHLSA-N 1 0 318.421 0.783 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000842203506 671994197 /nfs/dbraw/zinc/99/41/97/671994197.db2.gz TZHSASGEPNZYTI-OLZOCXBDSA-N 1 0 318.421 0.750 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc1 ZINC000842208960 671994460 /nfs/dbraw/zinc/99/44/60/671994460.db2.gz YSTKCHLTMDXFIC-UHFFFAOYSA-N 1 0 306.410 0.566 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000842227143 671997093 /nfs/dbraw/zinc/99/70/93/671997093.db2.gz ZJLQPLBRHHIZOH-CQSZACIVSA-N 1 0 319.405 0.999 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000842255996 672000828 /nfs/dbraw/zinc/00/08/28/672000828.db2.gz BWISEUVFXNOCLF-UHFFFAOYSA-N 1 0 306.410 0.565 20 10 DCCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842272586 672002169 /nfs/dbraw/zinc/00/21/69/672002169.db2.gz IUIJUHYUVHAFGX-CYBMUJFWSA-N 1 0 320.437 0.825 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2ccon2)cc1 ZINC000842784069 672036983 /nfs/dbraw/zinc/03/69/83/672036983.db2.gz AEZYKZIFUIPEOZ-CQSZACIVSA-N 1 0 324.406 0.860 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCOCC2)cc1 ZINC000843299510 672080303 /nfs/dbraw/zinc/08/03/03/672080303.db2.gz XAIQNPSCYXHXDS-OAHLLOKOSA-N 1 0 306.410 0.201 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC(=O)N(C)C2)cc1 ZINC000843299079 672080430 /nfs/dbraw/zinc/08/04/30/672080430.db2.gz QZDYQTKKRITYLN-GXTWGEPZSA-N 1 0 304.394 0.347 20 10 DCCDRO COc1ccc(O)c(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000843427658 672094133 /nfs/dbraw/zinc/09/41/33/672094133.db2.gz BBRLILDTGHGOMP-LBPRGKRZSA-N 1 0 307.394 0.953 20 10 DCCDRO Cc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(O)c1O ZINC000844037197 672141330 /nfs/dbraw/zinc/14/13/30/672141330.db2.gz SHHPGSOENVPHTN-NSHDSACASA-N 1 0 321.377 0.598 20 10 DCCDRO CC1(OCC(=O)NCc2ccc(N3CCOCC3)cc2)C[NH2+]C1 ZINC000844170970 672156589 /nfs/dbraw/zinc/15/65/89/672156589.db2.gz OXPCWUDVFLOETB-UHFFFAOYSA-N 1 0 319.405 0.518 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1 ZINC000845973349 672285732 /nfs/dbraw/zinc/28/57/32/672285732.db2.gz YDDCEPAPBZDQIB-SNVBAGLBSA-N 1 0 319.361 0.649 20 10 DCCDRO C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000846673034 672335796 /nfs/dbraw/zinc/33/57/96/672335796.db2.gz NWNIWTHRMHWYIR-MRXNPFEDSA-N 1 0 320.437 0.418 20 10 DCCDRO COCC[NH2+]CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697560 672338724 /nfs/dbraw/zinc/33/87/24/672338724.db2.gz RWJOPMZTHQFBAK-UHFFFAOYSA-N 1 0 309.410 0.826 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)OC)C2)cc(OC)n1 ZINC001015105914 692193642 /nfs/dbraw/zinc/19/36/42/692193642.db2.gz ZFWMZDDXKHWNBQ-DGCLKSJQSA-N 1 0 323.393 0.938 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CC(N)=O)C2)cc1C ZINC001691138006 1157591907 /nfs/dbraw/zinc/59/19/07/1157591907.db2.gz CXXJWVRSFIJUMK-HDJSIYSDSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C(N)=O)C2)cc1C ZINC001565850459 1159911089 /nfs/dbraw/zinc/91/10/89/1159911089.db2.gz LSLJPVXZMNIWMO-BETUJISGSA-N 1 0 305.378 0.473 20 10 DCCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001573876611 1163575815 /nfs/dbraw/zinc/57/58/15/1163575815.db2.gz KAFPVYFPSABNBY-CVEARBPZSA-N 1 0 303.406 0.968 20 10 DCCDRO COC(=O)c1c(CNCC2(O)C[NH2+]C2)c2cc(F)ccc2n1C ZINC001578850210 1165140788 /nfs/dbraw/zinc/14/07/88/1165140788.db2.gz BANAWWRLHJMWNH-UHFFFAOYSA-N 1 0 321.352 0.528 20 10 DCCDRO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001596656839 1167994728 /nfs/dbraw/zinc/99/47/28/1167994728.db2.gz VHEPTIYXJLENSH-CYBMUJFWSA-N 1 0 308.378 0.555 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c1OC ZINC001621382845 1171408864 /nfs/dbraw/zinc/40/88/64/1171408864.db2.gz YASQEGTWFOHSFU-LLVKDONJSA-N 1 0 308.338 0.152 20 10 DCCDRO CCOCc1cc(C[NH2+]C[C@H](O)Cn2ccnn2)ccc1OC ZINC001662619213 1174224079 /nfs/dbraw/zinc/22/40/79/1174224079.db2.gz NDNTVEUKIJDTNV-HNNXBMFYSA-N 1 0 320.393 0.974 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cn2ncnn2)cc1C ZINC001731591847 1185402768 /nfs/dbraw/zinc/40/27/68/1185402768.db2.gz JIVKBXHIUYMFGG-LBPRGKRZSA-N 1 0 318.381 0.285 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnnn2C)cc1C ZINC001753186218 1188526831 /nfs/dbraw/zinc/52/68/31/1188526831.db2.gz PAZNBMVEOSBXMK-UHFFFAOYSA-N 1 0 317.393 0.994 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)Cn2ncnn2)cc1C ZINC001753189472 1188528397 /nfs/dbraw/zinc/52/83/97/1188528397.db2.gz MRSHDRHWPYJKJA-UHFFFAOYSA-N 1 0 318.381 0.238 20 10 DCCDRO C[N@@H+](Cc1cc(O)c(Br)cc1O)C[C@@H](O)CO ZINC001236765106 770016528 /nfs/dbraw/zinc/01/65/28/770016528.db2.gz ABPBOMPRMBSRLR-MRVPVSSYSA-N 1 0 306.156 0.645 20 10 DCCDRO COC(=O)NCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124176058 768160707 /nfs/dbraw/zinc/16/07/07/768160707.db2.gz BRDRSISJGVFCIO-UHFFFAOYSA-N 1 0 309.366 0.565 20 10 DCCDRO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119615430 766749445 /nfs/dbraw/zinc/74/94/45/766749445.db2.gz WKYIZWACCXYSMA-OAHLLOKOSA-N 1 0 312.435 0.782 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC001139408220 768472403 /nfs/dbraw/zinc/47/24/03/768472403.db2.gz JQKOOKNVNRQAKN-AEFFLSMTSA-N 1 0 319.449 0.614 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC001139408222 768472615 /nfs/dbraw/zinc/47/26/15/768472615.db2.gz JQKOOKNVNRQAKN-FUHWJXTLSA-N 1 0 319.449 0.614 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC001139408225 768472644 /nfs/dbraw/zinc/47/26/44/768472644.db2.gz JQKOOKNVNRQAKN-WMZOPIPTSA-N 1 0 319.449 0.614 20 10 DCCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(OC)c(O)cc1O)C2 ZINC001231633411 769271627 /nfs/dbraw/zinc/27/16/27/769271627.db2.gz NYIWKIDFBCPSMW-ZBEGNZNMSA-N 1 0 323.345 0.728 20 10 DCCDRO CC[N@H+](Cc1ccccc1O)Cc1cn(C)c(=O)n(C)c1=O ZINC001231770639 769283139 /nfs/dbraw/zinc/28/31/39/769283139.db2.gz PXVCYUPMMZTROD-UHFFFAOYSA-N 1 0 303.362 0.812 20 10 DCCDRO COC(=O)C1(O)CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841297 769337170 /nfs/dbraw/zinc/33/71/70/769337170.db2.gz BIWKGBXSQPNHRL-UHFFFAOYSA-N 1 0 308.378 0.958 20 10 DCCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)cc1O ZINC001173738611 769706593 /nfs/dbraw/zinc/70/65/93/769706593.db2.gz SXJVCGXERVMLHJ-LALPHHSUSA-N 1 0 319.365 0.891 20 10 DCCDRO COc1cc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c(OC)c1 ZINC001237673099 770072553 /nfs/dbraw/zinc/07/25/53/770072553.db2.gz GWVLNMYIUNWUQW-YPMHNXCESA-N 1 0 306.362 0.929 20 10 DCCDRO COc1c(O)c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC001182990402 771586583 /nfs/dbraw/zinc/58/65/83/771586583.db2.gz PWWDCBPLVAVTLX-YGRLFVJLSA-N 1 0 312.322 0.627 20 10 DCCDRO CC(=O)N1CCO[C@@]2(C1)COCC[N@H+](Cc1ccccc1O)C2 ZINC001203555547 772913529 /nfs/dbraw/zinc/91/35/29/772913529.db2.gz CUDONODBVPYFIO-KRWDZBQOSA-N 1 0 320.389 0.842 20 10 DCCDRO COC(=O)c1c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206530387 773084769 /nfs/dbraw/zinc/08/47/69/773084769.db2.gz IEDFVTRKTCYTBU-NHYWBVRUSA-N 1 0 317.389 0.716 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(C(N)=O)CC2)cc1C ZINC001266967516 939292570 /nfs/dbraw/zinc/29/25/70/939292570.db2.gz MKGAYIRKGJZQKD-LBPRGKRZSA-N 1 0 319.405 0.863 20 10 DCCDRO CN(C)CC[N@@H+]1CCC2(CN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276517002 944196633 /nfs/dbraw/zinc/19/66/33/944196633.db2.gz YVYNOGAGLGTRHN-UHFFFAOYSA-N 1 0 321.421 0.873 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC001277420635 944813201 /nfs/dbraw/zinc/81/32/01/944813201.db2.gz CNCBQGWOEGZAGC-HOCLYGCPSA-N 1 0 320.389 0.623 20 10 DCCDRO O=C(NCC1COC1)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277440618 944818882 /nfs/dbraw/zinc/81/88/82/944818882.db2.gz CXBFBMHFAFKUHH-CQSZACIVSA-N 1 0 302.374 0.977 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001249178011 945624776 /nfs/dbraw/zinc/62/47/76/945624776.db2.gz NKLRIHPCXUGDLZ-DOTOQJQBSA-N 1 0 323.389 0.673 20 10 DCCDRO COC(=O)[C@H](O)CNC1CC[NH+](Cc2ccccc2O)CC1 ZINC001252444096 945932875 /nfs/dbraw/zinc/93/28/75/945932875.db2.gz JNXSXKVJGWAPAT-OAHLLOKOSA-N 1 0 308.378 0.480 20 10 DCCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001262061459 947545338 /nfs/dbraw/zinc/54/53/38/947545338.db2.gz AIFCPUAUXZITOW-AAEUAGOBSA-N 1 0 304.394 0.317 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001325151366 947682444 /nfs/dbraw/zinc/68/24/44/947682444.db2.gz PWNBXTYAVKKXFY-AWEZNQCLSA-N 1 0 319.405 0.903 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001325764823 947918023 /nfs/dbraw/zinc/91/80/23/947918023.db2.gz QNRAGLIOZXYVNZ-YPMHNXCESA-N 1 0 303.362 0.171 20 10 DCCDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001330130092 950136646 /nfs/dbraw/zinc/13/66/46/950136646.db2.gz JQVWNGJDYYXBSV-LBPRGKRZSA-N 1 0 315.373 0.587 20 10 DCCDRO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331164865 950981994 /nfs/dbraw/zinc/98/19/94/950981994.db2.gz LDTFHOJWOIGTGR-LBPRGKRZSA-N 1 0 303.362 0.493 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CNOC2)[NH+](C)C)cc1 ZINC001336239708 952664740 /nfs/dbraw/zinc/66/47/40/952664740.db2.gz LFAKATJYUHFOJU-UKRRQHHQSA-N 1 0 321.425 0.558 20 10 DCCDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001337484689 952865009 /nfs/dbraw/zinc/86/50/09/952865009.db2.gz CELGCTLKVMLKPW-CYBMUJFWSA-N 1 0 305.378 0.724 20 10 DCCDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CC23CCOCC3)c(O)c1 ZINC001339771139 953118814 /nfs/dbraw/zinc/11/88/14/953118814.db2.gz FTSBICGBIXTTTG-CQSZACIVSA-N 1 0 306.362 0.786 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)cc1 ZINC001342159261 953274094 /nfs/dbraw/zinc/27/40/94/953274094.db2.gz KADKJDNIAGRHDP-RHSMWYFYSA-N 1 0 321.421 0.703 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)c(OC)c1 ZINC001342298903 953282355 /nfs/dbraw/zinc/28/23/55/953282355.db2.gz FLPJZCFTWLABJP-GFCCVEGCSA-N 1 0 323.393 0.062 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001343353309 953340018 /nfs/dbraw/zinc/34/00/18/953340018.db2.gz CHUYDIOOWNMLAN-CZUORRHYSA-N 1 0 321.421 0.560 20 10 DCCDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001346381438 953875595 /nfs/dbraw/zinc/87/55/95/953875595.db2.gz NASHESCYLGZVKH-BLLLJJGKSA-N 1 0 320.412 0.896 20 10 DCCDRO C[C@H]1CC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C[NH2+]1 ZINC001350050427 954976365 /nfs/dbraw/zinc/97/63/65/954976365.db2.gz KWRNFGCWFBFYFI-JQWIXIFHSA-N 1 0 303.362 0.491 20 10 DCCDRO C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1C[N@H+](C)CCN1C ZINC001351612635 955355891 /nfs/dbraw/zinc/35/58/91/955355891.db2.gz LQPGPTZFTDODSY-TZMCWYRMSA-N 1 0 306.410 0.826 20 10 DCCDRO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001353035658 955884710 /nfs/dbraw/zinc/88/47/10/955884710.db2.gz SPMIEMWGBFIABM-CYBMUJFWSA-N 1 0 317.389 0.835 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001353331289 956024497 /nfs/dbraw/zinc/02/44/97/956024497.db2.gz YUMQFUYLPQYFLX-OKILXGFUSA-N 1 0 318.421 0.565 20 10 DCCDRO Nc1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC001356226743 956801642 /nfs/dbraw/zinc/80/16/42/956801642.db2.gz BVIKKXARUYGOOF-UHFFFAOYSA-N 1 0 300.366 0.715 20 10 DCCDRO COc1ccc(O)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)c1 ZINC001548670235 1012929696 /nfs/dbraw/zinc/92/96/96/1012929696.db2.gz ASHJCZMIBSLMPS-FZMZJTMJSA-N 1 0 305.378 0.405 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000007351589 395683474 /nfs/dbraw/zinc/68/34/74/395683474.db2.gz APVCRXMDYKEBKZ-UHFFFAOYSA-N 1 0 318.421 0.566 20 10 DCCDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(O)c1O ZINC000193167556 396444921 /nfs/dbraw/zinc/44/49/21/396444921.db2.gz WSBSHDKVJXKHHK-GFCCVEGCSA-N 1 0 307.394 0.854 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(O)c1OC ZINC000891436800 658746013 /nfs/dbraw/zinc/74/60/13/658746013.db2.gz PWNLYQBGAUQMNL-JTQLQIEISA-N 1 0 301.364 0.686 20 10 DCCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCN1CCOCC1 ZINC000236704825 659565190 /nfs/dbraw/zinc/56/51/90/659565190.db2.gz ZRPFXQZVPKFSDR-UHFFFAOYSA-N 1 0 305.422 0.945 20 10 DCCDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895327178 662168990 /nfs/dbraw/zinc/16/89/90/662168990.db2.gz AXIFNFBDUFUZJI-PBHICJAKSA-N 1 0 324.396 0.980 20 10 DCCDRO O=C1NCC2(CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)O1 ZINC000902502186 663416218 /nfs/dbraw/zinc/41/62/18/663416218.db2.gz MDRMWEFAELYFHN-ZDUSSCGKSA-N 1 0 320.345 0.892 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)CCNC(=O)C2)cc1 ZINC000911665142 664096279 /nfs/dbraw/zinc/09/62/79/664096279.db2.gz AHRVVZUUKHYQSX-WMLDXEAASA-N 1 0 318.421 0.785 20 10 DCCDRO Cc1nnc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[nH]1 ZINC000911666514 664096901 /nfs/dbraw/zinc/09/69/01/664096901.db2.gz IMOUYFZBMZVLAM-CYBMUJFWSA-N 1 0 302.382 0.538 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCC(=O)N2C)cc1 ZINC000911667928 664097200 /nfs/dbraw/zinc/09/72/00/664097200.db2.gz UJSPQBNILGRXQD-CABCVRRESA-N 1 0 318.421 0.880 20 10 DCCDRO NC(=O)NC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731844521 664885829 /nfs/dbraw/zinc/88/58/29/664885829.db2.gz JJRJBFMQEOZDDL-CYBMUJFWSA-N 1 0 321.377 0.958 20 10 DCCDRO COC[C@@H](C)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000916570991 665072686 /nfs/dbraw/zinc/07/26/86/665072686.db2.gz LYUHZJPPADXOFL-CQSZACIVSA-N 1 0 321.421 0.968 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)CO)CC2)cc1 ZINC000916572536 665072879 /nfs/dbraw/zinc/07/28/79/665072879.db2.gz KNYVFBXLHAUDMO-UHFFFAOYSA-N 1 0 321.421 0.704 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3nc[nH]n3)cc2)CC1 ZINC000918838064 665185017 /nfs/dbraw/zinc/18/50/17/665185017.db2.gz CKWCKTJYYMPPQT-UHFFFAOYSA-N 1 0 314.393 0.415 20 10 DCCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000862474709 667045454 /nfs/dbraw/zinc/04/54/54/667045454.db2.gz YULOSIPNDYEJSU-HNNXBMFYSA-N 1 0 309.318 0.885 20 10 DCCDRO O=C1OC[C@]2(C[NH2+]Cc3cc4c(cc3O)OCO4)COCCN12 ZINC000865768448 667345018 /nfs/dbraw/zinc/34/50/18/667345018.db2.gz JDHIUTPZBLTABB-HNNXBMFYSA-N 1 0 322.317 0.432 20 10 DCCDRO CN(C)c1ccc(CNS(=O)(=O)N2CC[NH2+]CC2)cc1F ZINC000923602925 667619817 /nfs/dbraw/zinc/61/98/17/667619817.db2.gz SVVQPDKPMRKCRH-UHFFFAOYSA-N 1 0 316.402 0.131 20 10 DCCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)CC(N)=O)CC2)cc1 ZINC000749130729 667946688 /nfs/dbraw/zinc/94/66/88/667946688.db2.gz YPEVTIJCYUAUNP-AWEZNQCLSA-N 1 0 320.437 0.671 20 10 DCCDRO C[C@@H](O)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665703 667981818 /nfs/dbraw/zinc/98/18/18/667981818.db2.gz VLTPSAOPWIEJPQ-CYBMUJFWSA-N 1 0 306.410 0.618 20 10 DCCDRO OC1CCN(c2ccc(CN[C@H]3C[NH2+]CCOC3)cc2F)CC1 ZINC000925500371 668164583 /nfs/dbraw/zinc/16/45/83/668164583.db2.gz DVVNETITBXETFW-AWEZNQCLSA-N 1 0 323.412 0.865 20 10 DCCDRO CN(C)c1ccc(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)cc1F ZINC000924542649 668216986 /nfs/dbraw/zinc/21/69/86/668216986.db2.gz NCXXKDNCWUJFQI-GFCCVEGCSA-N 1 0 308.357 0.874 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1 ZINC000876712237 668493063 /nfs/dbraw/zinc/49/30/63/668493063.db2.gz CPUNBKSFGMDUHL-QFIPXVFZSA-N 1 0 323.462 0.870 20 10 DCCDRO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(N)cc1 ZINC000877077486 668559183 /nfs/dbraw/zinc/55/91/83/668559183.db2.gz KJEGXMHRKUFBOJ-GFCCVEGCSA-N 1 0 304.394 0.642 20 10 DCCDRO COc1ccc(N2CCN(C(=O)COCC[NH3+])CC2)c(OC)c1 ZINC000877227876 668578795 /nfs/dbraw/zinc/57/87/95/668578795.db2.gz PGTXBVYNJGJMAX-UHFFFAOYSA-N 1 0 323.393 0.328 20 10 DCCDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000768257043 668604121 /nfs/dbraw/zinc/60/41/21/668604121.db2.gz NGIVUHPTDVIXGK-LBPRGKRZSA-N 1 0 323.418 0.832 20 10 DCCDRO COc1cccc(O)c1C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000877669013 668638606 /nfs/dbraw/zinc/63/86/06/668638606.db2.gz SWJIANHXUYKWLL-HZPDHXFCSA-N 1 0 304.346 0.885 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000769456514 668649633 /nfs/dbraw/zinc/64/96/33/668649633.db2.gz KLTYNSVNBDQMFN-JTQLQIEISA-N 1 0 300.380 0.524 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)c(O)c1 ZINC000770390258 668690897 /nfs/dbraw/zinc/69/08/97/668690897.db2.gz XLLLLPHXRRQECS-CYBMUJFWSA-N 1 0 314.407 0.914 20 10 DCCDRO COC(=O)CCNC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775371959 668861530 /nfs/dbraw/zinc/86/15/30/668861530.db2.gz WCHHWCDMTXSTCP-SNVBAGLBSA-N 1 0 310.350 0.731 20 10 DCCDRO Cn1ncnc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283447 669666417 /nfs/dbraw/zinc/66/64/17/669666417.db2.gz FXTJFZKPQXYFFF-UHFFFAOYSA-N 1 0 300.410 0.857 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847277609 670530545 /nfs/dbraw/zinc/53/05/45/670530545.db2.gz IERZZTYLJWRSIN-JKSUJKDBSA-N 1 0 318.421 0.713 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854352878 670552827 /nfs/dbraw/zinc/55/28/27/670552827.db2.gz MBBPXMGYNKBDPT-PKXJPQMGSA-N 1 0 317.389 0.617 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000817949578 670955533 /nfs/dbraw/zinc/95/55/33/670955533.db2.gz KMCNPQMAYNMDJB-ZDUSSCGKSA-N 1 0 319.405 0.951 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1C ZINC000858311435 670992104 /nfs/dbraw/zinc/99/21/04/670992104.db2.gz GPLMJKSAFFKAIR-UHFFFAOYSA-N 1 0 313.423 0.589 20 10 DCCDRO C[NH2+]CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851665305 671007604 /nfs/dbraw/zinc/00/76/04/671007604.db2.gz VBLCDYUJRJPYGJ-UHFFFAOYSA-N 1 0 306.410 0.666 20 10 DCCDRO [NH3+][C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000851680991 671011601 /nfs/dbraw/zinc/01/16/01/671011601.db2.gz MITIRRGDMYDOGT-CQSZACIVSA-N 1 0 318.421 0.890 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000852868547 671180104 /nfs/dbraw/zinc/18/01/04/671180104.db2.gz ISSSOKCQVBDCCO-QGZVFWFLSA-N 1 0 321.396 0.966 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)C2)cc1 ZINC000852899786 671189772 /nfs/dbraw/zinc/18/97/72/671189772.db2.gz BWFBQKNNQQNWPR-SMDDNHRTSA-N 1 0 318.377 0.494 20 10 DCCDRO COc1cccc(CN(CC[NH+](C)C)CC(=O)N(C)C)c1O ZINC000827157827 671516826 /nfs/dbraw/zinc/51/68/26/671516826.db2.gz IRMFKXAZWFPCIZ-UHFFFAOYSA-N 1 0 309.410 0.853 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC000832266384 671712693 /nfs/dbraw/zinc/71/26/93/671712693.db2.gz DYYFJBSMPNTGEV-TZMCWYRMSA-N 1 0 304.394 0.395 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCn2cncn2)cc1 ZINC000832281059 671713052 /nfs/dbraw/zinc/71/30/52/671713052.db2.gz RVWVQVQCIFPOAC-CQSZACIVSA-N 1 0 302.382 0.550 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCn2cncn2)cc1 ZINC000832281058 671713197 /nfs/dbraw/zinc/71/31/97/671713197.db2.gz RVWVQVQCIFPOAC-AWEZNQCLSA-N 1 0 302.382 0.550 20 10 DCCDRO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@H](C)[N@H+]1CCO ZINC000841955973 671969084 /nfs/dbraw/zinc/96/90/84/671969084.db2.gz SVUNVMFTSNTNPL-OKILXGFUSA-N 1 0 320.437 0.908 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000842069959 671980922 /nfs/dbraw/zinc/98/09/22/671980922.db2.gz IMYBSDJKABMBLZ-LBPRGKRZSA-N 1 0 318.421 0.196 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1F ZINC000842147878 671985678 /nfs/dbraw/zinc/98/56/78/671985678.db2.gz HZGARCUEVJAGLW-ZDUSSCGKSA-N 1 0 322.384 0.361 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000842151789 671986492 /nfs/dbraw/zinc/98/64/92/671986492.db2.gz CTFAKJZTPSAKNS-OAHLLOKOSA-N 1 0 318.421 0.531 20 10 DCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170878 671988709 /nfs/dbraw/zinc/98/87/09/671988709.db2.gz MVFDMSIPSUJKQB-CYBMUJFWSA-N 1 0 316.405 0.485 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170919 671988781 /nfs/dbraw/zinc/98/87/81/671988781.db2.gz NYSHUVKIHDDETD-UHFFFAOYSA-N 1 0 316.405 0.357 20 10 DCCDRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842202734 671994195 /nfs/dbraw/zinc/99/41/95/671994195.db2.gz KYMGRWBRGJBQBE-NEPJUHHUSA-N 1 0 306.410 0.783 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000842227139 671996920 /nfs/dbraw/zinc/99/69/20/671996920.db2.gz ZJAVOQWYGTYNDE-CQSZACIVSA-N 1 0 319.405 0.984 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[NH2+]C ZINC000842232930 671998182 /nfs/dbraw/zinc/99/81/82/671998182.db2.gz WQEQMGXWXSRWOO-UHFFFAOYSA-N 1 0 306.410 0.437 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000843258199 672075251 /nfs/dbraw/zinc/07/52/51/672075251.db2.gz AFPZKOCNUYNIJF-QWHCGFSZSA-N 1 0 320.437 0.919 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC(=O)NC2)cc1 ZINC000843299702 672080427 /nfs/dbraw/zinc/08/04/27/672080427.db2.gz WAXZRGVFVRLDGH-GXTWGEPZSA-N 1 0 304.394 0.395 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C(N)=O)c[nH]2)cc1 ZINC000843299757 672080445 /nfs/dbraw/zinc/08/04/45/672080445.db2.gz ZLNGJNKQYSRIGL-CYBMUJFWSA-N 1 0 315.377 0.609 20 10 DCCDRO CC(=O)c1cc(F)cc(CN(C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000843347098 672085438 /nfs/dbraw/zinc/08/54/38/672085438.db2.gz RCZQREHRWDWTGF-UHFFFAOYSA-N 1 0 323.368 0.598 20 10 DCCDRO C[C@@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)C(=O)N(C)C ZINC000843350995 672085873 /nfs/dbraw/zinc/08/58/73/672085873.db2.gz ZNHFUPUGTMJOFO-GFCCVEGCSA-N 1 0 318.421 0.491 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)CC[NH3+])cc1 ZINC000846361507 672309764 /nfs/dbraw/zinc/30/97/64/672309764.db2.gz FETUTJUDUZJAIN-UHFFFAOYSA-N 1 0 322.409 0.007 20 10 DCCDRO CC[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](O)C1 ZINC000958734274 687886566 /nfs/dbraw/zinc/88/65/66/687886566.db2.gz YZALBBORKMORRW-DGCLKSJQSA-N 1 0 319.365 0.891 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)cc1 ZINC000962976696 688999815 /nfs/dbraw/zinc/99/98/15/688999815.db2.gz RCNKUBXUJRBBHO-ITGUQSILSA-N 1 0 317.349 0.501 20 10 DCCDRO C[C@@H](C[N@H+](C)CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569152915 1160960741 /nfs/dbraw/zinc/96/07/41/1160960741.db2.gz LRJNGWUMYHNKES-JTQLQIEISA-N 1 0 307.354 0.891 20 10 DCCDRO O=C(NCc1c(O)cccc1O)C1C[NH+](C2CCOCC2)C1 ZINC001639292808 1171830453 /nfs/dbraw/zinc/83/04/53/1171830453.db2.gz RKEPKZYKBULVEX-UHFFFAOYSA-N 1 0 306.362 0.825 20 10 DCCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CN1 ZINC001657536166 1173913713 /nfs/dbraw/zinc/91/37/13/1173913713.db2.gz JMUHVMRKYDKRES-CYBMUJFWSA-N 1 0 307.369 0.888 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1O ZINC001664934679 1174470774 /nfs/dbraw/zinc/47/07/74/1174470774.db2.gz SEIVFGGRQBNJSL-CHWSQXEVSA-N 1 0 306.362 0.799 20 10 DCCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC(N)=O)cc1C ZINC001668004282 1174744253 /nfs/dbraw/zinc/74/42/53/1174744253.db2.gz HJHIAHWDJBRJAD-GFCCVEGCSA-N 1 0 307.394 0.863 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC(N)=O)cc1C ZINC001690836215 1177335248 /nfs/dbraw/zinc/33/52/48/1177335248.db2.gz YBLPNWKIUZRADB-LBPRGKRZSA-N 1 0 307.394 0.863 20 10 DCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccc(O)c(O)c1 ZINC001123768890 768054707 /nfs/dbraw/zinc/05/47/07/768054707.db2.gz FLHNGPXNCXNDPM-YPMHNXCESA-N 1 0 305.378 0.145 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O)cc1C ZINC001135344472 765891879 /nfs/dbraw/zinc/89/18/79/765891879.db2.gz KXLUEEIDZSQQJG-VXGBXAGGSA-N 1 0 307.394 0.862 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OCC(=O)OC)cc1 ZINC001170996340 766387290 /nfs/dbraw/zinc/38/72/90/766387290.db2.gz OQSCXJIQTPSEHT-UHFFFAOYSA-N 1 0 310.350 0.567 20 10 DCCDRO C[NH+](C)CCCCCNC(=O)CN1C(=O)CSC1=S ZINC001144846960 767064505 /nfs/dbraw/zinc/06/45/05/767064505.db2.gz BNXVVRTXNXSHPG-UHFFFAOYSA-N 1 0 303.453 0.695 20 10 DCCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC001120661031 767122081 /nfs/dbraw/zinc/12/20/81/767122081.db2.gz ZAXRXMHSGJXAOX-UHFFFAOYSA-N 1 0 304.394 0.814 20 10 DCCDRO O=C(CN1CC[NH2+]CC1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924510 767394272 /nfs/dbraw/zinc/39/42/72/767394272.db2.gz LOZNKTRVABFJQN-UHFFFAOYSA-N 1 0 305.378 0.278 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)C[C@H](O)C[NH2+]3)C2)cc1 ZINC001122135270 767723169 /nfs/dbraw/zinc/72/31/69/767723169.db2.gz HREQNBINQLPWFX-RVSPLBMKSA-N 1 0 319.405 0.503 20 10 DCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001140660112 768538654 /nfs/dbraw/zinc/53/86/54/768538654.db2.gz GIGYQFDKOYFHAX-WMLDXEAASA-N 1 0 324.396 0.837 20 10 DCCDRO COCCN1C[C@@H]2C[N@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1=O ZINC001140748901 768544583 /nfs/dbraw/zinc/54/45/83/768544583.db2.gz UBBBVMPVWDILBK-KBPBESRZSA-N 1 0 320.389 0.943 20 10 DCCDRO CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3cccc(C)c3O)C[C@H]21 ZINC001231591604 769269834 /nfs/dbraw/zinc/26/98/34/769269834.db2.gz GQVZPCMKODYZJB-CABCVRRESA-N 1 0 319.405 0.332 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001171616532 769332197 /nfs/dbraw/zinc/33/21/97/769332197.db2.gz RZMYZOWYUUBCPY-AWEZNQCLSA-N 1 0 319.405 0.878 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C[C@@H]1C(=O)OC ZINC001173575543 769676163 /nfs/dbraw/zinc/67/61/63/769676163.db2.gz FWKAXYDKXHOOMP-CNDDSTCGSA-N 1 0 323.345 0.928 20 10 DCCDRO c1cc(N2CCOCC2)ccc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234978793 769731156 /nfs/dbraw/zinc/73/11/56/769731156.db2.gz BLUXJNHAKXAMCJ-GOSISDBHSA-N 1 0 316.449 0.661 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@H]1[NH3+] ZINC001236361909 770008283 /nfs/dbraw/zinc/00/82/83/770008283.db2.gz YBHJDKGHVCXWCE-PSASIEDQSA-N 1 0 300.742 0.683 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)cc1OC ZINC001236750111 770018229 /nfs/dbraw/zinc/01/82/29/770018229.db2.gz ORFQPBVXIFGCCZ-HOTGVXAUSA-N 1 0 311.378 0.975 20 10 DCCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC(=O)N1 ZINC001236933667 770024090 /nfs/dbraw/zinc/02/40/90/770024090.db2.gz ZGOYSWISYSKLKH-ZDUSSCGKSA-N 1 0 320.412 0.898 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[N@H+]3CCC[C@H]3CO)cc2)CC1 ZINC001237207015 770034059 /nfs/dbraw/zinc/03/40/59/770034059.db2.gz ONHSXXFFNZRSGA-INIZCTEOSA-N 1 0 324.446 0.878 20 10 DCCDRO O=C(c1cc2cc(O)c(O)cc2oc1=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001155228111 770441790 /nfs/dbraw/zinc/44/17/90/770441790.db2.gz KMOQBHFBOJKUHH-JTQLQIEISA-N 1 0 316.313 0.734 20 10 DCCDRO Oc1cc(O)c(CCNc2cc3c(nn2)CC[NH2+]C3)cc1O ZINC001157245628 771566247 /nfs/dbraw/zinc/56/62/47/771566247.db2.gz FRNUEAZNPWOYRA-UHFFFAOYSA-N 1 0 302.334 0.894 20 10 DCCDRO Cc1cc(O)c(CN2C[C@@H]([NH3+])[C@H](O)C2)cc1Br ZINC001205370380 772989255 /nfs/dbraw/zinc/98/92/55/772989255.db2.gz RAEBPXFWRKCAAC-ZYHUDNBSSA-N 1 0 301.184 0.967 20 10 DCCDRO O=C([O-])c1ccc(O)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222099532 775269905 /nfs/dbraw/zinc/26/99/05/775269905.db2.gz GSZHBXVSIUNRQY-UHFFFAOYSA-N 1 0 305.378 0.618 20 10 DCCDRO Oc1cc(O)c(CN2CC[NH2+]C[C@]3(CCCCN3)C2)cc1O ZINC001222685202 775414541 /nfs/dbraw/zinc/41/45/41/775414541.db2.gz PPJVIQLXVDSRBU-MRXNPFEDSA-N 1 0 307.394 0.721 20 10 DCCDRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)CC2 ZINC001272971730 945162423 /nfs/dbraw/zinc/16/24/23/945162423.db2.gz LQCMPKKQDDXJJE-HNNXBMFYSA-N 1 0 320.389 0.555 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CNC(C)=O)C2)cc1C ZINC001266504432 939139451 /nfs/dbraw/zinc/13/94/51/939139451.db2.gz BWSJWKVZGGEQSJ-HNNXBMFYSA-N 1 0 319.405 0.830 20 10 DCCDRO CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001272386166 942728721 /nfs/dbraw/zinc/72/87/21/942728721.db2.gz AYKDRGDIMWRWGV-MRXNPFEDSA-N 1 0 306.362 0.779 20 10 DCCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c1O ZINC001272625826 942872294 /nfs/dbraw/zinc/87/22/94/942872294.db2.gz ORZZCNCOKQQASQ-INIZCTEOSA-N 1 0 306.362 0.834 20 10 DCCDRO Cn1cnc([C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]2C(N)=O)c1 ZINC001277657587 944932135 /nfs/dbraw/zinc/93/21/35/944932135.db2.gz SAEXYRPLWDODEZ-CHWSQXEVSA-N 1 0 316.361 0.532 20 10 DCCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321530487 946368064 /nfs/dbraw/zinc/36/80/64/946368064.db2.gz STLIQMBKONHZTK-CQSZACIVSA-N 1 0 311.401 0.674 20 10 DCCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001256320876 946608951 /nfs/dbraw/zinc/60/89/51/946608951.db2.gz ACJXVSPVYWSBHU-NSHDSACASA-N 1 0 324.377 0.573 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(O)c1 ZINC001462524174 1013071243 /nfs/dbraw/zinc/07/12/43/1013071243.db2.gz VIDQEZHTPWQBSC-BETUJISGSA-N 1 0 304.346 0.756 20 10 DCCDRO O=C(C(=O)N1Cc2cccc(O)c2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001261875767 947470462 /nfs/dbraw/zinc/47/04/62/947470462.db2.gz QLCIAOXDBARMDZ-QGZVFWFLSA-N 1 0 315.373 0.446 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3COC[C@H]3O)cc2F)CC1 ZINC001325197180 947703319 /nfs/dbraw/zinc/70/33/19/947703319.db2.gz LKTVWDUIPWVZMY-GDBMZVCRSA-N 1 0 309.385 0.427 20 10 DCCDRO O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](CO)Cc1c[nH]cn1 ZINC001179689749 947888746 /nfs/dbraw/zinc/88/87/46/947888746.db2.gz XZYXVGGHIVWUOM-FXMSTWTQSA-N 1 0 303.318 0.554 20 10 DCCDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001325762881 947916873 /nfs/dbraw/zinc/91/68/73/947916873.db2.gz HQYJBVWVLIBYIL-AWEZNQCLSA-N 1 0 319.405 0.951 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)C2)cc1 ZINC001329647051 949748530 /nfs/dbraw/zinc/74/85/30/949748530.db2.gz NJBWRJQWGJDIOV-GVAFMPQTSA-N 1 0 301.390 0.998 20 10 DCCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001330567820 950514324 /nfs/dbraw/zinc/51/43/24/950514324.db2.gz MIAJXVHMGLKTAX-GHMZBOCLSA-N 1 0 303.362 0.430 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNc3ccc4nnnn4n3)cc2)CC1 ZINC001330829965 950694943 /nfs/dbraw/zinc/69/49/43/950694943.db2.gz FBMUBPJDRYHQQV-UHFFFAOYSA-N 1 0 324.392 0.883 20 10 DCCDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001331490423 951140951 /nfs/dbraw/zinc/14/09/51/951140951.db2.gz XSWDMHITVIVAGR-GFCCVEGCSA-N 1 0 320.437 0.649 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC001333374444 952028964 /nfs/dbraw/zinc/02/89/64/952028964.db2.gz FOGUALDMYAYGKD-JOCQHMNTSA-N 1 0 304.394 0.222 20 10 DCCDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001333426606 952054929 /nfs/dbraw/zinc/05/49/29/952054929.db2.gz SKOHQBJDQKGGGB-PWSUYJOCSA-N 1 0 303.362 0.478 20 10 DCCDRO [NH3+][C@@H](CO)Cc1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC001333911790 952197548 /nfs/dbraw/zinc/19/75/48/952197548.db2.gz GMHJRHRAMKYETI-CQSZACIVSA-N 1 0 317.393 0.025 20 10 DCCDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336137132 952648562 /nfs/dbraw/zinc/64/85/62/952648562.db2.gz YLEYXJOUFKPJSY-PXAZEXFGSA-N 1 0 315.373 0.574 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CNC(C)=O)C2)cc1C ZINC001490864124 953129626 /nfs/dbraw/zinc/12/96/26/953129626.db2.gz PLNLEYOXPDISBL-SHTZXODSSA-N 1 0 319.405 0.877 20 10 DCCDRO C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C[NH3+] ZINC001351984739 955481325 /nfs/dbraw/zinc/48/13/25/955481325.db2.gz YMCCGMDNOHJQNP-WCQYABFASA-N 1 0 317.389 0.678 20 10 DCCDRO COc1cc(C)c(C[NH2+]C2CC(NS(C)(=O)=O)C2)c(O)c1 ZINC001474468041 1017018150 /nfs/dbraw/zinc/01/81/50/1017018150.db2.gz KFZVHDFYFUTOHJ-UHFFFAOYSA-N 1 0 314.407 0.879 20 10 DCCDRO COC[C@H]([NH3+])C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000376113400 239224790 /nfs/dbraw/zinc/22/47/90/239224790.db2.gz HXNQXQOQDPWDRF-HNNXBMFYSA-N 1 0 307.394 0.708 20 10 DCCDRO COc1cccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c1O ZINC000273055793 533502325 /nfs/dbraw/zinc/50/23/25/533502325.db2.gz IJXBLDQAHCTJSY-LBPRGKRZSA-N 1 0 308.378 0.985 20 10 DCCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000274109133 130207052 /nfs/dbraw/zinc/20/70/52/130207052.db2.gz YWQVYUGRQXDPQW-KRWDZBQOSA-N 1 0 307.438 0.878 20 10 DCCDRO CNC(=O)CC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000170780874 416031809 /nfs/dbraw/zinc/03/18/09/416031809.db2.gz KEAXBCMPDGTZMI-UHFFFAOYSA-N 1 0 320.437 0.779 20 10 DCCDRO CC[N@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000265397553 520233424 /nfs/dbraw/zinc/23/34/24/520233424.db2.gz JMSSTEHZANUFRX-UHFFFAOYSA-N 1 0 315.395 0.445 20 10 DCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000266755025 523867037 /nfs/dbraw/zinc/86/70/37/523867037.db2.gz GBIINGVJIXAVSU-CYBMUJFWSA-N 1 0 323.393 0.921 20 10 DCCDRO CNS(=O)(=O)NC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000283842369 536297360 /nfs/dbraw/zinc/29/73/60/536297360.db2.gz CZQNGKDKPNWVON-UHFFFAOYSA-N 1 0 313.423 0.719 20 10 DCCDRO C[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249660 658084298 /nfs/dbraw/zinc/08/42/98/658084298.db2.gz VKHDENLGMPIIAE-FZMZJTMJSA-N 1 0 321.425 0.528 20 10 DCCDRO CCNC(=O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250016 658086145 /nfs/dbraw/zinc/08/61/45/658086145.db2.gz XWTLHMGGRMGOQA-HNNXBMFYSA-N 1 0 320.437 0.998 20 10 DCCDRO COc1ccc(N2CC[NH+](CCCC(=O)NC(N)=O)CC2)cc1 ZINC000065949348 658738783 /nfs/dbraw/zinc/73/87/83/658738783.db2.gz NHPVYTGSUCMHJE-UHFFFAOYSA-N 1 0 320.393 0.792 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C(N)=O)C2)cc1C ZINC001000052210 665730807 /nfs/dbraw/zinc/73/08/07/665730807.db2.gz KZNQEXASQAFQDK-CYBMUJFWSA-N 1 0 305.378 0.570 20 10 DCCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCSc1nccs1 ZINC000842092287 661656855 /nfs/dbraw/zinc/65/68/55/661656855.db2.gz KTSMMTGEQBWSKD-VIFPVBQESA-N 1 0 316.452 0.595 20 10 DCCDRO COc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1 ZINC000895770943 662214902 /nfs/dbraw/zinc/21/49/02/662214902.db2.gz HNBHMNOKCJFKLK-AWEZNQCLSA-N 1 0 306.362 0.786 20 10 DCCDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000895774165 662215303 /nfs/dbraw/zinc/21/53/03/662215303.db2.gz WJPJOSBMMIWCNB-AWEZNQCLSA-N 1 0 320.345 0.506 20 10 DCCDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000898359305 662949098 /nfs/dbraw/zinc/94/90/98/662949098.db2.gz OVGPAHIQBDXHPX-CHWSQXEVSA-N 1 0 324.377 0.940 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCO)[NH+](C)C)cc1 ZINC000899100886 663123921 /nfs/dbraw/zinc/12/39/21/663123921.db2.gz CJWBHWOWIASPDE-OAHLLOKOSA-N 1 0 308.426 0.989 20 10 DCCDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000901121445 663321518 /nfs/dbraw/zinc/32/15/18/663321518.db2.gz DSFAEWDFVSVTFN-MRXNPFEDSA-N 1 0 308.378 0.603 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1 ZINC000903280920 663451795 /nfs/dbraw/zinc/45/17/95/663451795.db2.gz OIUFAPLYBPAOQK-BLLLJJGKSA-N 1 0 310.394 0.745 20 10 DCCDRO CN(C)c1ccc([C@H](C[NH2+]CCC(=O)NC(N)=O)N(C)C)cc1 ZINC000905705103 663576500 /nfs/dbraw/zinc/57/65/00/663576500.db2.gz PYZVMUIMOZUCCL-AWEZNQCLSA-N 1 0 321.425 0.530 20 10 DCCDRO CN1CC[N@H+](C)CC(C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000907056937 663664114 /nfs/dbraw/zinc/66/41/14/663664114.db2.gz LPEKVDCJOCMSGI-UHFFFAOYSA-N 1 0 307.394 0.250 20 10 DCCDRO COc1cccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)c1O ZINC000907060935 663664529 /nfs/dbraw/zinc/66/45/29/663664529.db2.gz QMALSTBNMJLGQH-UHFFFAOYSA-N 1 0 307.394 0.510 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000910990327 663965977 /nfs/dbraw/zinc/96/59/77/663965977.db2.gz BUWQFFOORPSJNZ-KGLIPLIRSA-N 1 0 318.421 0.612 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C2)cc1 ZINC001016369136 666277803 /nfs/dbraw/zinc/27/78/03/666277803.db2.gz RIXADAWHZXQRJI-LBPRGKRZSA-N 1 0 305.338 0.645 20 10 DCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861767790 666976442 /nfs/dbraw/zinc/97/64/42/666976442.db2.gz QSYSMCBXFAINAG-RYUDHWBXSA-N 1 0 306.410 0.735 20 10 DCCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000868309820 667555821 /nfs/dbraw/zinc/55/58/21/667555821.db2.gz MYLVTDPLIJDABO-BXUZGUMPSA-N 1 0 302.378 0.760 20 10 DCCDRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)c(O)c1 ZINC000839090215 667730408 /nfs/dbraw/zinc/73/04/08/667730408.db2.gz DSJTVVFITFQWIF-UHFFFAOYSA-N 1 0 317.411 0.277 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1Cn1cccn1 ZINC000873148810 667975625 /nfs/dbraw/zinc/97/56/25/667975625.db2.gz IAJUYFIEVVSECW-SWLSCSKDSA-N 1 0 305.378 0.771 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](O)C[C@H]1C)cc2=O ZINC000761105555 668305435 /nfs/dbraw/zinc/30/54/35/668305435.db2.gz OXTRKADUZOTGLZ-MWLCHTKSSA-N 1 0 320.349 0.567 20 10 DCCDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000762569328 668367280 /nfs/dbraw/zinc/36/72/80/668367280.db2.gz RXYZPBHKGDAOPR-KRWDZBQOSA-N 1 0 323.412 0.819 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC000877593853 668631780 /nfs/dbraw/zinc/63/17/80/668631780.db2.gz HHKAUURYJZBGCX-ZDUSSCGKSA-N 1 0 306.362 0.954 20 10 DCCDRO CCN(CC)c1ccc(C[NH2+]CC(=O)NCC(=O)OC)cc1 ZINC000877706487 668640129 /nfs/dbraw/zinc/64/01/29/668640129.db2.gz MKCHVNVXWVIHQC-UHFFFAOYSA-N 1 0 307.394 0.912 20 10 DCCDRO Cc1cccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1O ZINC000877732299 668643886 /nfs/dbraw/zinc/64/38/86/668643886.db2.gz JBXBRHJBFXJBFY-MRXNPFEDSA-N 1 0 306.362 0.418 20 10 DCCDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775259255 668860104 /nfs/dbraw/zinc/86/01/04/668860104.db2.gz PTRGOXNEQOWQRZ-LBPRGKRZSA-N 1 0 320.393 0.629 20 10 DCCDRO C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1ccccc1O ZINC000879648711 669081075 /nfs/dbraw/zinc/08/10/75/669081075.db2.gz AGJUDMPNLYPJNX-GFCCVEGCSA-N 1 0 305.378 0.781 20 10 DCCDRO COC[C@H](OC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855188 669399986 /nfs/dbraw/zinc/39/99/86/669399986.db2.gz RFRYAXLKCOBBKA-INIZCTEOSA-N 1 0 321.421 0.716 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000807674883 670372782 /nfs/dbraw/zinc/37/27/82/670372782.db2.gz RTEFJGNNQHFIMM-CYBMUJFWSA-N 1 0 320.437 0.950 20 10 DCCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)C(C)=O)CC1=O ZINC000808543258 670414633 /nfs/dbraw/zinc/41/46/33/670414633.db2.gz DAWSLDTXUUEZFT-QWHCGFSZSA-N 1 0 324.377 0.021 20 10 DCCDRO C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccc(N(C)C)cc1 ZINC000851686118 671013679 /nfs/dbraw/zinc/01/36/79/671013679.db2.gz JEJLHCLBUFHQIV-LBPRGKRZSA-N 1 0 306.410 0.737 20 10 DCCDRO Nc1ccc(CCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000818545096 671029327 /nfs/dbraw/zinc/02/93/27/671029327.db2.gz HIPVBVKXMSKUMZ-CQSZACIVSA-N 1 0 314.393 0.757 20 10 DCCDRO C[NH+](C)CCOCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819167951 671099342 /nfs/dbraw/zinc/09/93/42/671099342.db2.gz JIFNLRSREWGBHN-UHFFFAOYSA-N 1 0 321.377 0.735 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C2)cc1 ZINC000852844709 671172621 /nfs/dbraw/zinc/17/26/21/671172621.db2.gz YWIOVLRKDZDPOJ-XJKSGUPXSA-N 1 0 320.437 0.669 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000852854566 671174953 /nfs/dbraw/zinc/17/49/53/671174953.db2.gz KFFYOTWDFLHXAD-JKSUJKDBSA-N 1 0 319.405 0.708 20 10 DCCDRO COCC[NH2+]CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869134 671180024 /nfs/dbraw/zinc/18/00/24/671180024.db2.gz WIWTXHXPYLETBQ-UHFFFAOYSA-N 1 0 321.421 0.500 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852895585 671189434 /nfs/dbraw/zinc/18/94/34/671189434.db2.gz FDSDRTNDUATMKK-HZPDHXFCSA-N 1 0 321.421 0.954 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])C2)cc1 ZINC000852900435 671190728 /nfs/dbraw/zinc/19/07/28/671190728.db2.gz LTVSAWXMIVUWHF-APHBMKBZSA-N 1 0 319.405 0.754 20 10 DCCDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853538656 671241442 /nfs/dbraw/zinc/24/14/42/671241442.db2.gz IOLSXHOXDGGOSK-FZMZJTMJSA-N 1 0 320.345 0.845 20 10 DCCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000826967369 671508548 /nfs/dbraw/zinc/50/85/48/671508548.db2.gz OUIVUIIZPHSASO-IINYFYTJSA-N 1 0 311.334 0.830 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000827206152 671518275 /nfs/dbraw/zinc/51/82/75/671518275.db2.gz ZLNANFGWFMRNAM-UHFFFAOYSA-N 1 0 303.366 0.995 20 10 DCCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469321 671528699 /nfs/dbraw/zinc/52/86/99/671528699.db2.gz URZNWPJYEBSWAK-HIFRSBDPSA-N 1 0 318.421 0.742 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CSCC2=O)cc1 ZINC000832285795 671713622 /nfs/dbraw/zinc/71/36/22/671713622.db2.gz UKMCDDOXVLPXAZ-ZDUSSCGKSA-N 1 0 322.434 0.402 20 10 DCCDRO CCOC(=O)NCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300260 671714001 /nfs/dbraw/zinc/71/40/01/671714001.db2.gz QGABKDOHVTXVSV-ZDUSSCGKSA-N 1 0 308.382 0.615 20 10 DCCDRO Nc1ccc(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000832652763 671730306 /nfs/dbraw/zinc/73/03/06/671730306.db2.gz FISJXRAHPVBKCZ-CQSZACIVSA-N 1 0 314.393 0.585 20 10 DCCDRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000841831755 671958544 /nfs/dbraw/zinc/95/85/44/671958544.db2.gz DMKLODIPCQKDIB-MRXNPFEDSA-N 1 0 316.405 0.932 20 10 DCCDRO COc1cccc(CNC(=O)NCCCN2CC[NH2+]CC2)c1O ZINC000841918710 671965803 /nfs/dbraw/zinc/96/58/03/671965803.db2.gz AKDHVLGENAFPAH-UHFFFAOYSA-N 1 0 322.409 0.495 20 10 DCCDRO Nc1ccc(CCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000841955896 671969046 /nfs/dbraw/zinc/96/90/46/671969046.db2.gz QULGLVBIWNULKL-MRXNPFEDSA-N 1 0 320.437 0.957 20 10 DCCDRO COC[C@]1(CNC(=O)NCc2ccc(OC)cc2O)CCC[NH2+]1 ZINC000841995149 671971679 /nfs/dbraw/zinc/97/16/79/671971679.db2.gz QMOYJJUJWASZQJ-MRXNPFEDSA-N 1 0 323.393 0.969 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000842035023 671977550 /nfs/dbraw/zinc/97/75/50/671977550.db2.gz BGXKUTOQOFBISC-STQMWFEESA-N 1 0 318.421 0.578 20 10 DCCDRO CC[NH2+]CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036642 671977907 /nfs/dbraw/zinc/97/79/07/671977907.db2.gz PYELFNONDQMFQJ-UHFFFAOYSA-N 1 0 306.410 0.485 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000842036159 671978166 /nfs/dbraw/zinc/97/81/66/671978166.db2.gz KPACBMAEKDLQNH-CQSZACIVSA-N 1 0 318.421 0.627 20 10 DCCDRO CCC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036187 671978236 /nfs/dbraw/zinc/97/82/36/671978236.db2.gz LHBITNCJNQVJDZ-UHFFFAOYSA-N 1 0 306.410 0.485 20 10 DCCDRO O=C(NCCCSc1nccs1)C(=O)N1CC[NH2+]CC1 ZINC000842092015 671982198 /nfs/dbraw/zinc/98/21/98/671982198.db2.gz IUTQRKZMDLAGEC-UHFFFAOYSA-N 1 0 314.436 0.173 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1F ZINC000842148738 671985728 /nfs/dbraw/zinc/98/57/28/671985728.db2.gz OBQYKJDVVKKJRL-CYBMUJFWSA-N 1 0 322.384 0.361 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150709 671986354 /nfs/dbraw/zinc/98/63/54/671986354.db2.gz WLEIDXYVRNZBKW-GFCCVEGCSA-N 1 0 318.421 0.396 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)ccc21 ZINC000842150703 671986609 /nfs/dbraw/zinc/98/66/09/671986609.db2.gz WCRZZXIFOYBRNZ-AWEZNQCLSA-N 1 0 316.405 0.245 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000842224256 671996981 /nfs/dbraw/zinc/99/69/81/671996981.db2.gz YDCMSDNQOIXKGU-AWEZNQCLSA-N 1 0 318.421 0.579 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000842227141 671997017 /nfs/dbraw/zinc/99/70/17/671997017.db2.gz ZJLQPLBRHHIZOH-AWEZNQCLSA-N 1 0 319.405 0.999 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842233111 671998075 /nfs/dbraw/zinc/99/80/75/671998075.db2.gz YPSGSNFHUZWMLH-UHFFFAOYSA-N 1 0 306.410 0.437 20 10 DCCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000843260579 672076370 /nfs/dbraw/zinc/07/63/70/672076370.db2.gz FTTPVJLJRPSQQT-QWHCGFSZSA-N 1 0 320.437 0.953 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@H](C[NH3+])C2)cc1 ZINC000844222918 672165622 /nfs/dbraw/zinc/16/56/22/672165622.db2.gz OGULVIZAYQLDGH-MRXNPFEDSA-N 1 0 320.437 0.371 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@@H](N)CC[NH+](C)C)ccc21 ZINC000846673401 672335580 /nfs/dbraw/zinc/33/55/80/672335580.db2.gz PKXTZNPGAQIONV-HNNXBMFYSA-N 1 0 304.438 0.964 20 10 DCCDRO COc1cccc(C[N@H+](CCO)CCN2CCOCC2)c1O ZINC000092186659 685107376 /nfs/dbraw/zinc/10/73/76/685107376.db2.gz RDEMKBZIMROLIH-UHFFFAOYSA-N 1 0 310.394 0.527 20 10 DCCDRO CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000958734273 687886382 /nfs/dbraw/zinc/88/63/82/687886382.db2.gz YZALBBORKMORRW-AAEUAGOBSA-N 1 0 319.365 0.891 20 10 DCCDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001570632693 1162567022 /nfs/dbraw/zinc/56/70/22/1162567022.db2.gz VXQOMSLRZPCNJF-LLVKDONJSA-N 1 0 321.377 0.219 20 10 DCCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001573551561 1163492527 /nfs/dbraw/zinc/49/25/27/1163492527.db2.gz ALTSGBMRHIKGNI-LLVKDONJSA-N 1 0 304.394 0.352 20 10 DCCDRO CCOC(=O)C[C@H](O)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001577944614 1164854862 /nfs/dbraw/zinc/85/48/62/1164854862.db2.gz YTPRMNBTRGTAHH-KGLIPLIRSA-N 1 0 323.393 0.183 20 10 DCCDRO C[NH2+]C[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001578652755 1165081129 /nfs/dbraw/zinc/08/11/29/1165081129.db2.gz NLPVMOMKEBVTKC-GFCCVEGCSA-N 1 0 316.785 0.601 20 10 DCCDRO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@H+](C)C1 ZINC001578798320 1165117089 /nfs/dbraw/zinc/11/70/89/1165117089.db2.gz YLGOHTSOUMWOFR-NSHDSACASA-N 1 0 306.366 0.837 20 10 DCCDRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(N)cc1 ZINC001579358289 1165286922 /nfs/dbraw/zinc/28/69/22/1165286922.db2.gz ZOPRGDMWHNCYRG-UHFFFAOYSA-N 1 0 305.425 0.416 20 10 DCCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001621432926 1166512172 /nfs/dbraw/zinc/51/21/72/1166512172.db2.gz DMINPPPHOZRURI-JQWIXIFHSA-N 1 0 305.783 0.947 20 10 DCCDRO C[N@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)Cc1ccccc1O ZINC001615931250 1171376759 /nfs/dbraw/zinc/37/67/59/1171376759.db2.gz JDSQEZNUOAQIBJ-UHFFFAOYSA-N 1 0 300.322 0.337 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)CC(C)(C)O)cc1C ZINC001717764028 1182984609 /nfs/dbraw/zinc/98/46/09/1182984609.db2.gz JAMCZMUCTKYVMY-AWEZNQCLSA-N 1 0 324.421 0.731 20 10 DCCDRO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCO ZINC001725525437 1184857704 /nfs/dbraw/zinc/85/77/04/1184857704.db2.gz RKEKLLRBAPPPPL-SNVBAGLBSA-N 1 0 307.354 0.891 20 10 DCCDRO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCO ZINC001731638972 1185422970 /nfs/dbraw/zinc/42/29/70/1185422970.db2.gz MCEMLGVFEBPGIF-SNVBAGLBSA-N 1 0 307.354 0.939 20 10 DCCDRO CC(C)[NH2+]C[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001753950086 1188693559 /nfs/dbraw/zinc/69/35/59/1188693559.db2.gz ZRGWIYUFZQDFHP-LBPRGKRZSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCNC2=O)cc1C ZINC001754237689 1188795712 /nfs/dbraw/zinc/79/57/12/1188795712.db2.gz QBGMBJGUEOSOHS-OCCSQVGLSA-N 1 0 319.405 0.734 20 10 DCCDRO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C(N)=O)C2)cc1C ZINC001754705159 1188909033 /nfs/dbraw/zinc/90/90/33/1188909033.db2.gz XBAXTZIEUYLYLF-KRWDZBQOSA-N 1 0 319.405 0.817 20 10 DCCDRO C[NH2+]CCN(C(=O)C(=O)N(C)Cc1ccccc1O)C(C)C ZINC001119611921 758047374 /nfs/dbraw/zinc/04/73/74/758047374.db2.gz ZJHBNIPFVNJFKC-UHFFFAOYSA-N 1 0 307.394 0.807 20 10 DCCDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119424570 766675297 /nfs/dbraw/zinc/67/52/97/766675297.db2.gz ZCICTYJPTOPLGX-UHFFFAOYSA-N 1 0 305.378 0.868 20 10 DCCDRO C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(=O)[O-])cc1O ZINC001231455427 769267558 /nfs/dbraw/zinc/26/75/58/769267558.db2.gz NLCHFKWVTRDKIC-UHFFFAOYSA-N 1 0 307.394 0.770 20 10 DCCDRO COc1cc(CN2CC[C@@H](S(C)(=O)=O)C2)c(O)cc1O ZINC001231634916 769270943 /nfs/dbraw/zinc/27/09/43/769270943.db2.gz BKXAXOFDEADVAT-SNVBAGLBSA-N 1 0 301.364 0.725 20 10 DCCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)cc1O ZINC001173735426 769705217 /nfs/dbraw/zinc/70/52/17/769705217.db2.gz SXJVCGXERVMLHJ-HUBLWGQQSA-N 1 0 319.365 0.891 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@H]1[NH3+] ZINC001236348835 770002909 /nfs/dbraw/zinc/00/29/09/770002909.db2.gz FFMOEIKTLVVHTE-WDEREUQCSA-N 1 0 310.350 0.342 20 10 DCCDRO COC(=O)Cc1ccc(CN2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)c(O)c1 ZINC001236356472 770006847 /nfs/dbraw/zinc/00/68/47/770006847.db2.gz MMXLMJNFVWZFRG-CHWSQXEVSA-N 1 0 322.361 0.040 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)cc1OC ZINC001236750115 770018015 /nfs/dbraw/zinc/01/80/15/770018015.db2.gz ORFQPBVXIFGCCZ-JKSUJKDBSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1ccc(N2CCN(S(=O)(=O)CC[NH3+])CC2)c(C)c1 ZINC001239137881 770194059 /nfs/dbraw/zinc/19/40/59/770194059.db2.gz CYKKWTDCZWDTRZ-UHFFFAOYSA-N 1 0 313.423 0.414 20 10 DCCDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O ZINC001177237840 770385836 /nfs/dbraw/zinc/38/58/36/770385836.db2.gz NANCZSNKOBMDBZ-VIFPVBQESA-N 1 0 320.353 0.432 20 10 DCCDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3oc2=O)C1 ZINC001155235886 770445129 /nfs/dbraw/zinc/44/51/29/770445129.db2.gz SPUCBHINDQEHNX-VIFPVBQESA-N 1 0 318.329 0.886 20 10 DCCDRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924083 772137860 /nfs/dbraw/zinc/13/78/60/772137860.db2.gz BRSCSGPJBHSROW-LBPRGKRZSA-N 1 0 308.334 0.263 20 10 DCCDRO COC(=O)COc1c(C)cc(N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001164287713 772637014 /nfs/dbraw/zinc/63/70/14/772637014.db2.gz KBDBKAVLKWSWNP-JTQLQIEISA-N 1 0 309.322 0.992 20 10 DCCDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)CN2C(=O)CSC2=S)C1 ZINC001219642519 774569813 /nfs/dbraw/zinc/56/98/13/774569813.db2.gz UTVPUOSMTFZDBM-RKDXNWHRSA-N 1 0 301.437 0.209 20 10 DCCDRO [NH3+][C@H]1CN[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212573 774735767 /nfs/dbraw/zinc/73/57/67/774735767.db2.gz ORFUDBXZAHWESU-SKDRFNHKSA-N 1 0 320.780 0.899 20 10 DCCDRO [NH3+]C[C@@H](O)CC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212834 774735836 /nfs/dbraw/zinc/73/58/36/774735836.db2.gz YGVMOJAZMAADDC-VIFPVBQESA-N 1 0 309.753 0.920 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246082943 945334225 /nfs/dbraw/zinc/33/42/25/945334225.db2.gz LTRBVJNBBHXJOK-UHTWSYAYSA-N 1 0 308.378 0.912 20 10 DCCDRO O=C1CO[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1C1COC1 ZINC001272619330 942871155 /nfs/dbraw/zinc/87/11/55/942871155.db2.gz UJXXEBSDTSSYQV-QGZVFWFLSA-N 1 0 318.373 0.594 20 10 DCCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c1O ZINC001272660661 942901868 /nfs/dbraw/zinc/90/18/68/942901868.db2.gz VWZKKXYXFNSHPV-INIZCTEOSA-N 1 0 306.362 0.839 20 10 DCCDRO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1O ZINC001277441484 944818132 /nfs/dbraw/zinc/81/81/32/944818132.db2.gz LQIZERZDBZADSI-SUMWQHHRSA-N 1 0 317.389 0.561 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001249178012 945623308 /nfs/dbraw/zinc/62/33/08/945623308.db2.gz NKLRIHPCXUGDLZ-NVXWUHKLSA-N 1 0 323.389 0.673 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCC[N@H+](C)C1 ZINC001255466708 946511445 /nfs/dbraw/zinc/51/14/45/946511445.db2.gz ZZEAKBGWTZDRTB-OLZOCXBDSA-N 1 0 308.378 0.866 20 10 DCCDRO NC(=O)COC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC001323286659 947014940 /nfs/dbraw/zinc/01/49/40/947014940.db2.gz YKGLXDLSOWLDCE-CQSZACIVSA-N 1 0 322.361 0.284 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H](O)C[NH3+] ZINC001263094105 947805606 /nfs/dbraw/zinc/80/56/06/947805606.db2.gz WHXZNQQMHWPJLC-HNNXBMFYSA-N 1 0 307.394 0.191 20 10 DCCDRO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001275266768 952037964 /nfs/dbraw/zinc/03/79/64/952037964.db2.gz DVRRKGLDZMVYFE-ZBFHGGJFSA-N 1 0 319.405 0.365 20 10 DCCDRO COc1ccc(C[NH+]2CCC(OCC(N)=O)CC2)c(O)c1OC ZINC001333630229 952118392 /nfs/dbraw/zinc/11/83/92/952118392.db2.gz UEBFNRWXGVYPDA-UHFFFAOYSA-N 1 0 324.377 0.876 20 10 DCCDRO CN1CC[N@H+](Cc2ccc(O)cc2O)C[C@]2(CCCC(=O)N2)C1 ZINC001275949582 952553666 /nfs/dbraw/zinc/55/36/66/952553666.db2.gz HQLUQYCDMMUPQU-KRWDZBQOSA-N 1 0 319.405 0.884 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCON)cc2)CC1 ZINC001336162790 952652820 /nfs/dbraw/zinc/65/28/20/952652820.db2.gz JWVWXYURDQTUHX-UHFFFAOYSA-N 1 0 321.425 0.518 20 10 DCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001344689764 953513789 /nfs/dbraw/zinc/51/37/89/953513789.db2.gz ZCRJBFUPIRTLPS-CQSZACIVSA-N 1 0 311.401 0.674 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001346737454 953951206 /nfs/dbraw/zinc/95/12/06/953951206.db2.gz ZMOVWSIWAVDPJO-YRGRVCCFSA-N 1 0 319.405 0.533 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001350024861 954966575 /nfs/dbraw/zinc/96/65/75/954966575.db2.gz BDAGDFWQIXZOMD-YRGRVCCFSA-N 1 0 318.421 0.783 20 10 DCCDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC001350042024 954970178 /nfs/dbraw/zinc/97/01/78/954970178.db2.gz OIQIKIXMYGTXNR-JQWIXIFHSA-N 1 0 303.362 0.491 20 10 DCCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC001350042025 954971260 /nfs/dbraw/zinc/97/12/60/954971260.db2.gz OIQIKIXMYGTXNR-PWSUYJOCSA-N 1 0 303.362 0.491 20 10 DCCDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001350352966 955068675 /nfs/dbraw/zinc/06/86/75/955068675.db2.gz FAUSBVANESVPSS-CYBMUJFWSA-N 1 0 307.394 0.840 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)C[NH2+]1 ZINC001351982836 955477979 /nfs/dbraw/zinc/47/79/79/955477979.db2.gz LJCQQMNGYNDVSZ-QWRGUYRKSA-N 1 0 303.362 0.443 20 10 DCCDRO Nc1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC001356239710 956803804 /nfs/dbraw/zinc/80/38/04/956803804.db2.gz TVNIYBLWFCXVRM-UHFFFAOYSA-N 1 0 300.366 0.715 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001357385433 957263325 /nfs/dbraw/zinc/26/33/25/957263325.db2.gz VLUWHTMOGLDRKM-BLLLJJGKSA-N 1 0 305.422 0.902 20 10 DCCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)C1 ZINC001467369136 1016159992 /nfs/dbraw/zinc/15/99/92/1016159992.db2.gz HYUZLALFPNSAGQ-VXGBXAGGSA-N 1 0 308.378 0.554 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001472257946 1016774721 /nfs/dbraw/zinc/77/47/21/1016774721.db2.gz AWZZCUGKEXRAMY-KBPBESRZSA-N 1 0 320.389 0.698 20 10 DCCDRO OC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)COC[C@@H]2CCCN21 ZINC001560623422 1012455632 /nfs/dbraw/zinc/45/56/32/1012455632.db2.gz WVGCULMIUQDXMQ-FUHWJXTLSA-N 1 0 318.417 0.937 20 10 DCCDRO COC(=O)c1cn(CC[NH2+]Cc2ccc3c(c2)CCO3)nn1 ZINC000283951565 131035761 /nfs/dbraw/zinc/03/57/61/131035761.db2.gz KFAWPTSUSARBGA-UHFFFAOYSA-N 1 0 302.334 0.789 20 10 DCCDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)C[NH+]1CCN(C)CC1 ZINC000262662561 396169911 /nfs/dbraw/zinc/16/99/11/396169911.db2.gz ZBLWTZBCRLZZMT-CQSZACIVSA-N 1 0 304.438 0.811 20 10 DCCDRO COCC[N@H+](C)CCCNC(=O)c1c(F)ccc(O)c1O ZINC000294794527 396683127 /nfs/dbraw/zinc/68/31/27/396683127.db2.gz HWTIYIFHHRBEGT-UHFFFAOYSA-N 1 0 300.330 0.935 20 10 DCCDRO CO[C@H]1COC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000290133759 415765818 /nfs/dbraw/zinc/76/58/18/415765818.db2.gz MAFMFPXMQCDPIW-GJZGRUSLSA-N 1 0 307.394 0.372 20 10 DCCDRO CCOCc1cc(C[NH2+]CCS(=O)(=O)NC)ccc1OC ZINC000190302303 416277646 /nfs/dbraw/zinc/27/76/46/416277646.db2.gz VAOCSEOSYLLKFY-UHFFFAOYSA-N 1 0 316.423 0.871 20 10 DCCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000529663436 417483555 /nfs/dbraw/zinc/48/35/55/417483555.db2.gz AFPAPMWALPAHCG-UHFFFAOYSA-N 1 0 319.405 0.871 20 10 DCCDRO CCN1C(=O)[C@H]2C[N@H+](Cc3cccc(OC)c3O)CCN2C1=O ZINC000362007925 276147817 /nfs/dbraw/zinc/14/78/17/276147817.db2.gz DMQPFRBXNMGKLD-GFCCVEGCSA-N 1 0 319.361 0.869 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CC[C@@H](C)O)cc2=O ZINC000266713965 521580700 /nfs/dbraw/zinc/58/07/00/521580700.db2.gz FSCMCRURBIYQSX-SNVBAGLBSA-N 1 0 322.365 0.814 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cccc(OCC)c1O ZINC000068981400 665457151 /nfs/dbraw/zinc/45/71/51/665457151.db2.gz WAFSYLATOOHGLI-UHFFFAOYSA-N 1 0 302.396 0.820 20 10 DCCDRO COc1ccc(CN2CC[NH+](C[C@@H](C)O)CC2)c(O)c1OC ZINC000891923529 657919790 /nfs/dbraw/zinc/91/97/90/657919790.db2.gz GGQMSADLEXPCOU-GFCCVEGCSA-N 1 0 310.394 0.908 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H](O)C(C)(C)O)[NH+](C)C)cc1 ZINC000891246805 658078662 /nfs/dbraw/zinc/07/86/62/658078662.db2.gz PNBKIEAJRDCYSC-HUUCEWRRSA-N 1 0 323.437 0.603 20 10 DCCDRO C[C@@H](CC(N)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247078 658079702 /nfs/dbraw/zinc/07/97/02/658079702.db2.gz HEMPFNIBSLFUBU-WFASDCNBSA-N 1 0 320.437 0.983 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncn(C)n2)[NH+](C)C)cc1 ZINC000891249497 658085190 /nfs/dbraw/zinc/08/51/90/658085190.db2.gz RBIMDWYOVCCMPG-AWEZNQCLSA-N 1 0 316.409 0.914 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)CCNC(N)=O)[NH+](C)C)cc1 ZINC000891255463 658095856 /nfs/dbraw/zinc/09/58/56/658095856.db2.gz PUJXEFAELNBZDJ-CQSZACIVSA-N 1 0 321.425 0.530 20 10 DCCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CCO ZINC000939830106 665652412 /nfs/dbraw/zinc/65/24/12/665652412.db2.gz CWFUKXCVDWUPOB-ZWNOBZJWSA-N 1 0 319.365 0.891 20 10 DCCDRO CON(C)C(=O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895045709 662045544 /nfs/dbraw/zinc/04/55/44/662045544.db2.gz WMPGGWOYZNTBHC-UHFFFAOYSA-N 1 0 307.394 0.757 20 10 DCCDRO CNC(=O)C1([NH2+]Cc2cc(OC)c(OC)cc2O)CCOCC1 ZINC000895885129 662225570 /nfs/dbraw/zinc/22/55/70/662225570.db2.gz SPAYOVLECURKOX-UHFFFAOYSA-N 1 0 324.377 0.794 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)cc1C ZINC000986804722 662620866 /nfs/dbraw/zinc/62/08/66/662620866.db2.gz BRKPNHPMRADURI-WCQYABFASA-N 1 0 305.378 0.568 20 10 DCCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H](CO)C1 ZINC000898356838 662950986 /nfs/dbraw/zinc/95/09/86/662950986.db2.gz UZRTUXKGRJPMSR-OCCSQVGLSA-N 1 0 324.377 0.940 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1O ZINC000927026002 663079658 /nfs/dbraw/zinc/07/96/58/663079658.db2.gz JGVFWNXRIYGGAF-ZJUUUORDSA-N 1 0 303.380 0.457 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1F ZINC000900434834 663243757 /nfs/dbraw/zinc/24/37/57/663243757.db2.gz SPIKEWIBDBGZJG-MLGOLLRUSA-N 1 0 309.385 0.963 20 10 DCCDRO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900813380 663284327 /nfs/dbraw/zinc/28/43/27/663284327.db2.gz YOPXFMJITVUFMC-COWJPUMTSA-N 1 0 319.405 0.862 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1 ZINC000903280921 663451888 /nfs/dbraw/zinc/45/18/88/663451888.db2.gz OIUFAPLYBPAOQK-LRDDRELGSA-N 1 0 310.394 0.745 20 10 DCCDRO COC[C@H]1C[NH2+]CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000903875034 663491277 /nfs/dbraw/zinc/49/12/77/663491277.db2.gz CFILRAFUBXZPRN-MRXNPFEDSA-N 1 0 320.437 0.289 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CSCC(=O)N2)cc1 ZINC000911666695 664096711 /nfs/dbraw/zinc/09/67/11/664096711.db2.gz KIXVMWDSSJLBKL-OLZOCXBDSA-N 1 0 322.434 0.100 20 10 DCCDRO COCC(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000917457620 665133355 /nfs/dbraw/zinc/13/33/55/665133355.db2.gz SJWWLFOUDBSUPN-UHFFFAOYSA-N 1 0 322.361 0.848 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCC(N)=O)cc2)CC1 ZINC000918912898 665189746 /nfs/dbraw/zinc/18/97/46/665189746.db2.gz JMBDTKQEWMMYDL-UHFFFAOYSA-N 1 0 304.394 0.320 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)CC2(C)C)cc1C ZINC000996224187 666751993 /nfs/dbraw/zinc/75/19/93/666751993.db2.gz AIPGVXVUIBFKRH-CQSZACIVSA-N 1 0 319.405 0.816 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861755714 666973736 /nfs/dbraw/zinc/97/37/36/666973736.db2.gz SNUOSIVPCUJIKH-UHFFFAOYSA-N 1 0 316.405 0.486 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000118955997 667045560 /nfs/dbraw/zinc/04/55/60/667045560.db2.gz CDVCRIRNIMTJNS-CQSZACIVSA-N 1 0 321.421 0.656 20 10 DCCDRO CN(C)CC(=O)Nc1ccc(O)c(CNC(=O)C[NH+](C)C)c1 ZINC000923123353 667462630 /nfs/dbraw/zinc/46/26/30/667462630.db2.gz WDTTVESWSBUWLP-UHFFFAOYSA-N 1 0 308.382 0.070 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923612307 667667595 /nfs/dbraw/zinc/66/75/95/667667595.db2.gz OWKSSNAVBPZCMB-UHFFFAOYSA-N 1 0 312.439 0.301 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@]23COC(=O)N2CCOC3)c1 ZINC000872263091 667884115 /nfs/dbraw/zinc/88/41/15/667884115.db2.gz VUCVVDXWJHYYSC-HNNXBMFYSA-N 1 0 308.334 0.712 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)[C@H](C)O)cc1Cn1cccn1 ZINC000873148812 667975665 /nfs/dbraw/zinc/97/56/65/667975665.db2.gz IAJUYFIEVVSECW-WFASDCNBSA-N 1 0 305.378 0.771 20 10 DCCDRO C[C@H](CO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669164 667981593 /nfs/dbraw/zinc/98/15/93/667981593.db2.gz ABFVYAPOEOGVJA-CYBMUJFWSA-N 1 0 306.410 0.618 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000764157713 668436337 /nfs/dbraw/zinc/43/63/37/668436337.db2.gz SEKFOAOAYQUXTR-IUODEOHRSA-N 1 0 319.405 0.968 20 10 DCCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)c(O)c1 ZINC000877022430 668553664 /nfs/dbraw/zinc/55/36/64/668553664.db2.gz UKSOLPVANQAHBL-UHFFFAOYSA-N 1 0 314.407 0.452 20 10 DCCDRO Cc1cccc(O)c1C[NH2+]CCNS(=O)(=O)NC(C)C ZINC000877476788 668622646 /nfs/dbraw/zinc/62/26/46/668622646.db2.gz NONWAPJLBZVZOP-UHFFFAOYSA-N 1 0 301.412 0.623 20 10 DCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000877677870 668639285 /nfs/dbraw/zinc/63/92/85/668639285.db2.gz AIWPSBOQIQIDMN-UWVGGRQHSA-N 1 0 310.350 0.557 20 10 DCCDRO COC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775011416 668854025 /nfs/dbraw/zinc/85/40/25/668854025.db2.gz JMVFLHGWFONSOQ-CYBMUJFWSA-N 1 0 300.311 0.796 20 10 DCCDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000775835034 668868410 /nfs/dbraw/zinc/86/84/10/668868410.db2.gz DBVNZPCZIOCOGU-STQMWFEESA-N 1 0 320.437 0.996 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNc3nccn4nnnc34)cc2)CC1 ZINC000882880332 669616782 /nfs/dbraw/zinc/61/67/82/669616782.db2.gz MSMUSXIHXAGHMQ-UHFFFAOYSA-N 1 0 324.392 0.883 20 10 DCCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@@H]21 ZINC000793652719 669730835 /nfs/dbraw/zinc/73/08/35/669730835.db2.gz CHANCVPREKQJJJ-YODMDTAWSA-N 1 0 305.330 0.669 20 10 DCCDRO CCc1cccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1O ZINC000848897618 670739795 /nfs/dbraw/zinc/73/97/95/670739795.db2.gz KLSIOEYAUKTFNK-UHFFFAOYSA-N 1 0 313.419 0.984 20 10 DCCDRO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000858571946 671017357 /nfs/dbraw/zinc/01/73/57/671017357.db2.gz MYEZNZOQKUXKSB-GFCCVEGCSA-N 1 0 311.407 0.460 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000859958327 671162887 /nfs/dbraw/zinc/16/28/87/671162887.db2.gz CAUZABFPCAYECJ-OTVXOJSOSA-N 1 0 318.421 0.565 20 10 DCCDRO COc1c(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)ccc1[N+](=O)[O-] ZINC000822521036 671328120 /nfs/dbraw/zinc/32/81/20/671328120.db2.gz WBYVJYJHBJVKGW-SECBINFHSA-N 1 0 323.305 0.546 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)COCC[NH3+])CC2)cc1 ZINC000828353585 671551200 /nfs/dbraw/zinc/55/12/00/671551200.db2.gz SSYJDLOLUJTAKW-UHFFFAOYSA-N 1 0 307.394 0.756 20 10 DCCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832173262 671706951 /nfs/dbraw/zinc/70/69/51/671706951.db2.gz PXSHOKASYZCECY-UHFFFAOYSA-N 1 0 318.421 0.581 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSCC(N)=O)cc1 ZINC000832292777 671713489 /nfs/dbraw/zinc/71/34/89/671713489.db2.gz MMICDTIJQYJNDF-LBPRGKRZSA-N 1 0 310.423 0.087 20 10 DCCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000835046063 671786922 /nfs/dbraw/zinc/78/69/22/671786922.db2.gz RERNNYWMOQBRRF-RDFMZFSFSA-N 1 0 302.378 0.986 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000841919621 671965924 /nfs/dbraw/zinc/96/59/24/671965924.db2.gz DCFPGRYTEKDINU-LBPRGKRZSA-N 1 0 322.409 0.666 20 10 DCCDRO COC[C@]1(CNC(=O)NCCc2ccc(N)cc2)CCC[NH2+]1 ZINC000841956060 671969237 /nfs/dbraw/zinc/96/92/37/671969237.db2.gz TVBXFOZISQSSCM-MRXNPFEDSA-N 1 0 306.410 0.879 20 10 DCCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842036533 671977965 /nfs/dbraw/zinc/97/79/65/671977965.db2.gz MVFRHYBHZZNLEK-ZDUSSCGKSA-N 1 0 304.394 0.189 20 10 DCCDRO CC(C)([NH3+])CNC(=O)C(=O)NCCCSc1nccs1 ZINC000842093428 671982058 /nfs/dbraw/zinc/98/20/58/671982058.db2.gz RRNQSIAMBAAMRB-UHFFFAOYSA-N 1 0 316.452 0.595 20 10 DCCDRO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCSc1nccs1 ZINC000842094296 671982179 /nfs/dbraw/zinc/98/21/79/671982179.db2.gz XEGVCIFELWKHBH-MRVPVSSYSA-N 1 0 302.425 0.205 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1F ZINC000842148718 671985672 /nfs/dbraw/zinc/98/56/72/671985672.db2.gz NTBLRLRBUDIWJC-LBPRGKRZSA-N 1 0 322.384 0.315 20 10 DCCDRO CCC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147954 671985957 /nfs/dbraw/zinc/98/59/57/671985957.db2.gz JGBQERAZMRODID-UHFFFAOYSA-N 1 0 324.400 0.624 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000842153666 671987054 /nfs/dbraw/zinc/98/70/54/671987054.db2.gz PLCXHMIKDMAUJS-CYBMUJFWSA-N 1 0 304.394 0.155 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC[NH3+])cc1 ZINC000842222097 671996547 /nfs/dbraw/zinc/99/65/47/671996547.db2.gz FMQLPQKHOBLFGJ-UHFFFAOYSA-N 1 0 306.410 0.566 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000842247648 671999706 /nfs/dbraw/zinc/99/97/06/671999706.db2.gz GLIUDYNGKWXSOZ-LBPRGKRZSA-N 1 0 307.394 0.842 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCN2CCOC2=O)cc1 ZINC000843299820 672080576 /nfs/dbraw/zinc/08/05/76/672080576.db2.gz XBXUFDXEOHOXMS-AWEZNQCLSA-N 1 0 320.393 0.711 20 10 DCCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc(O)c1O ZINC000844035434 672140459 /nfs/dbraw/zinc/14/04/59/672140459.db2.gz OQKABBLFQWUPPN-JTQLQIEISA-N 1 0 307.350 0.290 20 10 DCCDRO [NH3+]CCOCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173491 672157281 /nfs/dbraw/zinc/15/72/81/672157281.db2.gz FUDXJRVNNGGSNL-UHFFFAOYSA-N 1 0 321.421 0.487 20 10 DCCDRO C[NH2+]C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844218957 672164738 /nfs/dbraw/zinc/16/47/38/672164738.db2.gz GLUNMSOWSAYBQY-OAHLLOKOSA-N 1 0 304.438 0.910 20 10 DCCDRO COC(=O)[C@@](C)(O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401109 672179391 /nfs/dbraw/zinc/17/93/91/672179391.db2.gz HVJWJDXHJBDMFD-INIZCTEOSA-N 1 0 310.394 0.987 20 10 DCCDRO COc1cccc(CN2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846010105 672289555 /nfs/dbraw/zinc/28/95/55/672289555.db2.gz BHENWZRBXCYUIU-UHFFFAOYSA-N 1 0 307.394 0.607 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)NCC2C[NH2+]C2)cc1 ZINC000846173451 672299443 /nfs/dbraw/zinc/29/94/43/672299443.db2.gz RMVSVWNQDWTVBN-UHFFFAOYSA-N 1 0 306.410 0.992 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000846697099 672338465 /nfs/dbraw/zinc/33/84/65/672338465.db2.gz KCXSCUHUBKVQJH-HNNXBMFYSA-N 1 0 307.394 0.578 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC001578427356 1165013264 /nfs/dbraw/zinc/01/32/64/1165013264.db2.gz SESBLMBJVLKHEB-IUODEOHRSA-N 1 0 305.378 0.842 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC001579616858 1165360332 /nfs/dbraw/zinc/36/03/32/1165360332.db2.gz HAGKQEUUBUTZQD-MRXNPFEDSA-N 1 0 306.410 0.585 20 10 DCCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)CNC(C)=O)cc1C ZINC001668678163 1174819444 /nfs/dbraw/zinc/81/94/44/1174819444.db2.gz IWCDVWMGWBZURM-PLNGDYQASA-N 1 0 319.405 0.902 20 10 DCCDRO CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001676615945 1175468799 /nfs/dbraw/zinc/46/87/99/1175468799.db2.gz YMEGPZGJMPZBEF-GFCCVEGCSA-N 1 0 307.354 0.939 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CNC(=O)N2)cc1C ZINC001690616931 1177284165 /nfs/dbraw/zinc/28/41/65/1177284165.db2.gz SNVPZSOAHLJCJQ-DGCLKSJQSA-N 1 0 320.393 0.279 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000697286145 749523947 /nfs/dbraw/zinc/52/39/47/749523947.db2.gz IHNMYTJWLQOMRC-ZYHUDNBSSA-N 1 0 305.783 0.947 20 10 DCCDRO O=C(CNc1ncc2c(n1)C[NH2+]CC2)c1ccc(O)c(O)c1 ZINC001170316506 762608579 /nfs/dbraw/zinc/60/85/79/762608579.db2.gz GMYBHQLHDCWMQH-UHFFFAOYSA-N 1 0 300.318 0.828 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2cnn(C)n2)cc1C ZINC001135284339 765867628 /nfs/dbraw/zinc/86/76/28/765867628.db2.gz MGXWKVSKUQSXOQ-UHFFFAOYSA-N 1 0 303.366 0.652 20 10 DCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001119766793 766805335 /nfs/dbraw/zinc/80/53/35/766805335.db2.gz FPSILTFHFZRPGJ-DOTOQJQBSA-N 1 0 306.406 0.698 20 10 DCCDRO C[N@@H+]1CCC[C@H]1CCNC(=O)CN1C(=O)CSC1=S ZINC001144848385 767064255 /nfs/dbraw/zinc/06/42/55/767064255.db2.gz NQNOGZMWGQGIIS-VIFPVBQESA-N 1 0 301.437 0.447 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCNCC[NH2+]CC2)cc1F ZINC001120583042 767086026 /nfs/dbraw/zinc/08/60/26/767086026.db2.gz MLIYMCVGWZIJRO-UHFFFAOYSA-N 1 0 323.416 0.596 20 10 DCCDRO CN1CC[NH2+]C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001122035022 767701611 /nfs/dbraw/zinc/70/16/11/767701611.db2.gz FVGXPIUTCNMQEK-HNNXBMFYSA-N 1 0 303.406 0.791 20 10 DCCDRO CCNC(=O)COC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487424 769371744 /nfs/dbraw/zinc/37/17/44/769371744.db2.gz CNZWEEQWVGGULA-UHFFFAOYSA-N 1 0 324.377 0.921 20 10 DCCDRO O=C1CC[C@@H]2C[C@@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)CCN12 ZINC001172144911 769435050 /nfs/dbraw/zinc/43/50/50/769435050.db2.gz BUDFPKYYUNPRKF-ZOWXZIJZSA-N 1 0 306.362 0.874 20 10 DCCDRO O=C1CC[C@@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)CCN12 ZINC001172144908 769435499 /nfs/dbraw/zinc/43/54/99/769435499.db2.gz BUDFPKYYUNPRKF-JMSVASOKSA-N 1 0 306.362 0.874 20 10 DCCDRO COC[C@@H](O)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047476 769703459 /nfs/dbraw/zinc/70/34/59/769703459.db2.gz FQICAOAZRNTNBW-LBPRGKRZSA-N 1 0 323.353 0.176 20 10 DCCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)cc1O ZINC001173738612 769706231 /nfs/dbraw/zinc/70/62/31/769706231.db2.gz SXJVCGXERVMLHJ-SLEUVZQESA-N 1 0 319.365 0.891 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1OC ZINC001236056850 769975810 /nfs/dbraw/zinc/97/58/10/769975810.db2.gz UJMVTBYRVQRBJF-AWEZNQCLSA-N 1 0 307.394 0.708 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)c(OC)cc2O)C[C@@H]1[NH3+] ZINC001236348311 770001960 /nfs/dbraw/zinc/00/19/60/770001960.db2.gz CJORHHVHFCOPCK-KOLCDFICSA-N 1 0 314.769 0.986 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)cc1OC ZINC001236750106 770016902 /nfs/dbraw/zinc/01/69/02/770016902.db2.gz ORFQPBVXIFGCCZ-CVEARBPZSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCNC2=O)cc1C ZINC001163948481 772598509 /nfs/dbraw/zinc/59/85/09/772598509.db2.gz JUUFIAYBAWXIPV-AWEZNQCLSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCNC2=O)cc1C ZINC001163948482 772598557 /nfs/dbraw/zinc/59/85/57/772598557.db2.gz JUUFIAYBAWXIPV-CQSZACIVSA-N 1 0 319.405 0.736 20 10 DCCDRO COC(=O)[C@@H]1C[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)CN1 ZINC001218176054 774214953 /nfs/dbraw/zinc/21/49/53/774214953.db2.gz COGKCQIIGXVFRT-GJZGRUSLSA-N 1 0 305.378 0.379 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCNC2=O)cc1C ZINC001266961248 939290588 /nfs/dbraw/zinc/29/05/88/939290588.db2.gz IKONPXCRTATHTC-OCCSQVGLSA-N 1 0 319.405 0.734 20 10 DCCDRO C[NH+]1CC2(C1)CCCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001268909339 940403989 /nfs/dbraw/zinc/40/39/89/940403989.db2.gz JJAFADNLVNDKGC-UHFFFAOYSA-N 1 0 313.448 0.401 20 10 DCCDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001272626364 942873892 /nfs/dbraw/zinc/87/38/92/942873892.db2.gz WQVWASLFPNWHKV-MRXNPFEDSA-N 1 0 306.362 0.834 20 10 DCCDRO C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC001276537121 944200908 /nfs/dbraw/zinc/20/09/08/944200908.db2.gz CLVMGAOJDOGMMI-CVEARBPZSA-N 1 0 323.412 0.978 20 10 DCCDRO O=C(NCC1COC1)[C@H]1CC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001277192358 944698543 /nfs/dbraw/zinc/69/85/43/944698543.db2.gz MURFSQJVLIMZHT-CQSZACIVSA-N 1 0 318.373 0.682 20 10 DCCDRO CN(C)C(=O)C1=NO[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001277192007 944698893 /nfs/dbraw/zinc/69/88/93/944698893.db2.gz JFLBMIXXKCEUOW-WCQYABFASA-N 1 0 305.334 0.373 20 10 DCCDRO NC(=O)C1=NO[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001277210439 944705613 /nfs/dbraw/zinc/70/56/13/944705613.db2.gz STWKCDLZAWWLFM-LSDHHAIUSA-N 1 0 314.389 0.959 20 10 DCCDRO O=C(NCC1COC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001277440645 944819644 /nfs/dbraw/zinc/81/96/44/944819644.db2.gz DGSFWIPOELNKKY-RHSMWYFYSA-N 1 0 302.374 0.977 20 10 DCCDRO O=C(NCC1COC1)C12CC([NH2+]Cc3cc(O)ccc3O)(C1)C2 ZINC001277657045 944931283 /nfs/dbraw/zinc/93/12/83/944931283.db2.gz LXJQMXORXCUHEE-UHFFFAOYSA-N 1 0 318.373 0.873 20 10 DCCDRO COC(=O)[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC001252444531 945932797 /nfs/dbraw/zinc/93/27/97/945932797.db2.gz LAJDZSITNJELOU-SNVBAGLBSA-N 1 0 304.140 0.778 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC001261608664 947361480 /nfs/dbraw/zinc/36/14/80/947361480.db2.gz RSQYPCKCFCHHKJ-UHFFFAOYSA-N 1 0 305.378 0.371 20 10 DCCDRO COC(=O)NC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001324747019 947521219 /nfs/dbraw/zinc/52/12/19/947521219.db2.gz JWLUKLOXELFLLU-UHFFFAOYSA-N 1 0 318.421 0.979 20 10 DCCDRO CC[NH2+]CCN(CCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001279919372 950727958 /nfs/dbraw/zinc/72/79/58/950727958.db2.gz GQFPMHKYGRLTEG-UHFFFAOYSA-N 1 0 307.354 0.893 20 10 DCCDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332062014 951457437 /nfs/dbraw/zinc/45/74/37/951457437.db2.gz SVXNBWAXODSQJY-UHFFFAOYSA-N 1 0 317.389 0.787 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC001333163396 951940903 /nfs/dbraw/zinc/94/09/03/951940903.db2.gz KRNPZOOQYBTFRF-ZDUSSCGKSA-N 1 0 305.378 0.690 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1[NH3+] ZINC001335710658 952586524 /nfs/dbraw/zinc/58/65/24/952586524.db2.gz BYSNHCFIWDHIIS-GXFFZTMASA-N 1 0 303.362 0.430 20 10 DCCDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001335711316 952586618 /nfs/dbraw/zinc/58/66/18/952586618.db2.gz FJXJNUFZOINIQG-BXUZGUMPSA-N 1 0 317.389 0.963 20 10 DCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001338535841 953028363 /nfs/dbraw/zinc/02/83/63/953028363.db2.gz OJBJRWFPMADUHE-KRWDZBQOSA-N 1 0 321.421 0.452 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001344702003 953515848 /nfs/dbraw/zinc/51/58/48/953515848.db2.gz INVLFSPKWRXYBZ-GXTWGEPZSA-N 1 0 317.389 0.513 20 10 DCCDRO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)Cc1ccc(N)cc1 ZINC001345911965 953761554 /nfs/dbraw/zinc/76/15/54/953761554.db2.gz GGVSTNKFTYDGIL-UHFFFAOYSA-N 1 0 314.393 0.467 20 10 DCCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H](C)O ZINC001347178456 954038344 /nfs/dbraw/zinc/03/83/44/954038344.db2.gz OPYZYLAQXHTMJJ-OLZOCXBDSA-N 1 0 312.435 0.780 20 10 DCCDRO COc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)c(O)c1 ZINC001347531619 954112483 /nfs/dbraw/zinc/11/24/83/954112483.db2.gz BXZXGRDHSUCOMV-SMDDNHRTSA-N 1 0 305.378 0.405 20 10 DCCDRO COc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)c(O)c1 ZINC001347531617 954112793 /nfs/dbraw/zinc/11/27/93/954112793.db2.gz BXZXGRDHSUCOMV-RISCZKNCSA-N 1 0 305.378 0.405 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1OC ZINC001308774105 960182896 /nfs/dbraw/zinc/18/28/96/960182896.db2.gz OCHSVWWDFREDSD-AOOOYVTPSA-N 1 0 306.318 0.114 20 10 DCCDRO CC(C)[NH2+]C1(CO)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001449954138 1014808862 /nfs/dbraw/zinc/80/88/62/1014808862.db2.gz QYKAEZQQWBRRDL-UHFFFAOYSA-N 1 0 322.405 0.992 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001464675681 1015936118 /nfs/dbraw/zinc/93/61/18/1015936118.db2.gz YZULMCKPWWWCIV-STQMWFEESA-N 1 0 306.362 0.769 20 10 DCCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000285691018 131193863 /nfs/dbraw/zinc/19/38/63/131193863.db2.gz ATIIWJORVLMJPJ-LLVKDONJSA-N 1 0 309.385 0.998 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1F ZINC000113317444 395830027 /nfs/dbraw/zinc/83/00/27/395830027.db2.gz STSZUBZKEWEGTM-UHFFFAOYSA-N 1 0 303.403 0.921 20 10 DCCDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)N1 ZINC000279339545 396166864 /nfs/dbraw/zinc/16/68/64/396166864.db2.gz DZHHOWYKOSCORD-OAHLLOKOSA-N 1 0 319.317 0.295 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000529380653 340753623 /nfs/dbraw/zinc/75/36/23/340753623.db2.gz PJURUECSPJQNGW-MNOVXSKESA-N 1 0 309.366 0.749 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CC[C@H](C)O)cc2=O ZINC000266713961 521580232 /nfs/dbraw/zinc/58/02/32/521580232.db2.gz FSCMCRURBIYQSX-JTQLQIEISA-N 1 0 322.365 0.814 20 10 DCCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCN2C1=O ZINC000368588141 528955677 /nfs/dbraw/zinc/95/56/77/528955677.db2.gz CZVUJPCHIRWCHA-LBPRGKRZSA-N 1 0 307.325 1.000 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COCC[NH3+] ZINC000317549079 661083737 /nfs/dbraw/zinc/08/37/37/661083737.db2.gz YQXSMTPKZWRDEW-UHFFFAOYSA-N 1 0 307.394 0.457 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC(N)=O)C2)cc1C ZINC000998779208 665526220 /nfs/dbraw/zinc/52/62/20/665526220.db2.gz DJLJEEZWXFMHAV-CQSZACIVSA-N 1 0 319.405 0.960 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2C(N)=O)[NH+](C)C)cc1 ZINC000891246099 658077032 /nfs/dbraw/zinc/07/70/32/658077032.db2.gz MGEJQOBZKLUDSN-RRFJBIMHSA-N 1 0 318.421 0.593 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncn(C)n2)[NH+](C)C)cc1 ZINC000891249500 658085072 /nfs/dbraw/zinc/08/50/72/658085072.db2.gz RBIMDWYOVCCMPG-CQSZACIVSA-N 1 0 316.409 0.914 20 10 DCCDRO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CCO)C1 ZINC000970953306 658109096 /nfs/dbraw/zinc/10/90/96/658109096.db2.gz FFVFJGJSLCKEOY-JTQLQIEISA-N 1 0 319.365 0.891 20 10 DCCDRO COc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)c(O)c1OC ZINC000892124958 658205882 /nfs/dbraw/zinc/20/58/82/658205882.db2.gz FOFQNQHRYXEAAS-LLVKDONJSA-N 1 0 324.377 0.434 20 10 DCCDRO CNC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893491412 659601465 /nfs/dbraw/zinc/60/14/65/659601465.db2.gz STVMULQTOOJOFX-LBPRGKRZSA-N 1 0 310.350 0.356 20 10 DCCDRO COc1cc(N(C)CC[N@H+](C)CCO)c([N+](=O)[O-])cc1OC ZINC000894592459 661987988 /nfs/dbraw/zinc/98/79/88/661987988.db2.gz XXUQYMCBCZRERH-UHFFFAOYSA-N 1 0 313.354 0.972 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CC(S(C)(=O)=O)C3)cc2)CC1 ZINC000841887238 662174192 /nfs/dbraw/zinc/17/41/92/662174192.db2.gz JLIUMVRRWUKVGB-UHFFFAOYSA-N 1 0 323.462 0.667 20 10 DCCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895709098 662209176 /nfs/dbraw/zinc/20/91/76/662209176.db2.gz ZPCGQARAEJZHFE-KRWDZBQOSA-N 1 0 320.389 0.633 20 10 DCCDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000895774169 662215264 /nfs/dbraw/zinc/21/52/64/662215264.db2.gz WJPJOSBMMIWCNB-CQSZACIVSA-N 1 0 320.345 0.506 20 10 DCCDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2ccnn2C)cc1OC ZINC000897302541 662438735 /nfs/dbraw/zinc/43/87/35/662438735.db2.gz PQMBTSNIJONVDK-ZDUSSCGKSA-N 1 0 307.350 0.966 20 10 DCCDRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc(F)ccc1O ZINC000903967634 663498867 /nfs/dbraw/zinc/49/88/67/663498867.db2.gz DRZXYOUGASEZLG-GFCCVEGCSA-N 1 0 302.371 0.398 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)cc1 ZINC000910994132 663967035 /nfs/dbraw/zinc/96/70/35/663967035.db2.gz WFLHCQWOOZSKAO-AWEZNQCLSA-N 1 0 318.421 0.566 20 10 DCCDRO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911668231 664097280 /nfs/dbraw/zinc/09/72/80/664097280.db2.gz WVEAXSZLEQKRRE-GLQYFDAESA-N 1 0 307.394 0.673 20 10 DCCDRO COCC[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000232730198 664692953 /nfs/dbraw/zinc/69/29/53/664692953.db2.gz IUBIBLPCXLBSDV-UHFFFAOYSA-N 1 0 307.394 0.580 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H](O)C3CC3)cc2)CC1 ZINC000918851736 665186333 /nfs/dbraw/zinc/18/63/33/665186333.db2.gz AFOHEIHTTNPNJV-MRXNPFEDSA-N 1 0 303.406 0.826 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)C2)cc1 ZINC001016369127 666277818 /nfs/dbraw/zinc/27/78/18/666277818.db2.gz RIXADAWHZXQRJI-GFCCVEGCSA-N 1 0 305.338 0.645 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861767836 666976188 /nfs/dbraw/zinc/97/61/88/666976188.db2.gz SASNLMQRUNUZJE-GFCCVEGCSA-N 1 0 306.410 0.737 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000865706738 667340502 /nfs/dbraw/zinc/34/05/02/667340502.db2.gz FDELNKZZQUNFMI-UHFFFAOYSA-N 1 0 303.403 0.921 20 10 DCCDRO [NH3+][C@@]1(CO)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923473203 667542543 /nfs/dbraw/zinc/54/25/43/667542543.db2.gz KRMHBOGVUZVPPF-KRWDZBQOSA-N 1 0 305.422 0.809 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000923479788 667543544 /nfs/dbraw/zinc/54/35/44/667543544.db2.gz XHSNPIVDDXMIMU-KRWDZBQOSA-N 1 0 320.437 0.154 20 10 DCCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884520240 667559682 /nfs/dbraw/zinc/55/96/82/667559682.db2.gz PVRDNZODFPAEDJ-PWSUYJOCSA-N 1 0 322.384 0.456 20 10 DCCDRO COC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000107361163 668138526 /nfs/dbraw/zinc/13/85/26/668138526.db2.gz QRBJNYOCEMCUOP-CYBMUJFWSA-N 1 0 310.394 0.833 20 10 DCCDRO C[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000925079622 668271674 /nfs/dbraw/zinc/27/16/74/668271674.db2.gz MBNPJAZTORJJQM-GFCCVEGCSA-N 1 0 302.378 0.879 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)CCN(C)C2=O)cc1 ZINC000876505726 668457291 /nfs/dbraw/zinc/45/72/91/668457291.db2.gz ATTMRZIIYBUIPN-YOEHRIQHSA-N 1 0 318.421 0.737 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(=O)n(C)cn2)cc1 ZINC000876506152 668457891 /nfs/dbraw/zinc/45/78/91/668457891.db2.gz GCBYBEAQZKBCFF-CYBMUJFWSA-N 1 0 315.377 0.276 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC2)cc1 ZINC000876708636 668492384 /nfs/dbraw/zinc/49/23/84/668492384.db2.gz WJIMDWUNGDBUBC-QGZVFWFLSA-N 1 0 319.405 0.722 20 10 DCCDRO CCO[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C[NH+](C)C ZINC000927866006 668520787 /nfs/dbraw/zinc/52/07/87/668520787.db2.gz DMOPDUZWQXWUER-CYBMUJFWSA-N 1 0 308.382 0.290 20 10 DCCDRO OC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877584779 668631231 /nfs/dbraw/zinc/63/12/31/668631231.db2.gz YPIZFFWBYBLCIE-GOSISDBHSA-N 1 0 320.433 0.967 20 10 DCCDRO O[C@H]1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877661761 668637715 /nfs/dbraw/zinc/63/77/15/668637715.db2.gz GMNGAVZOMYVFIJ-SFHVURJKSA-N 1 0 319.449 0.804 20 10 DCCDRO COC(=O)C1(O)CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000877768873 668646905 /nfs/dbraw/zinc/64/69/05/668646905.db2.gz GJRQEGMDYXJQPW-UHFFFAOYSA-N 1 0 319.405 0.158 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1F ZINC000778210640 668895082 /nfs/dbraw/zinc/89/50/82/668895082.db2.gz QYTGWKBVPBJHDM-UHFFFAOYSA-N 1 0 315.414 0.873 20 10 DCCDRO Cc1cc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)ccc1N(C)C ZINC000878972528 668958266 /nfs/dbraw/zinc/95/82/66/668958266.db2.gz ITEBOLBBXHWRLJ-BETUJISGSA-N 1 0 304.394 0.080 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCN2C)cc1 ZINC000931870911 669273225 /nfs/dbraw/zinc/27/32/25/669273225.db2.gz UDUPHONMVCJZAO-OAHLLOKOSA-N 1 0 318.421 0.531 20 10 DCCDRO C[NH+]1CCC(OCC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000934938792 669655847 /nfs/dbraw/zinc/65/58/47/669655847.db2.gz JVSNOTLZJUMXCW-UHFFFAOYSA-N 1 0 308.378 0.867 20 10 DCCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000797414456 669967521 /nfs/dbraw/zinc/96/75/21/669967521.db2.gz AWMSLCSQUABTAR-BBRMVZONSA-N 1 0 306.362 0.776 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000817919598 670953046 /nfs/dbraw/zinc/95/30/46/670953046.db2.gz UUEKVRLINSXZMI-UHFFFAOYSA-N 1 0 306.410 0.518 20 10 DCCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817989584 670959294 /nfs/dbraw/zinc/95/92/94/670959294.db2.gz OXSTVPMSAQJSTI-ZDUSSCGKSA-N 1 0 318.421 0.531 20 10 DCCDRO Nc1ccc(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000851664524 671007843 /nfs/dbraw/zinc/00/78/43/671007843.db2.gz DEDMGOZECFQPQJ-UHFFFAOYSA-N 1 0 316.365 0.265 20 10 DCCDRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818973909 671082461 /nfs/dbraw/zinc/08/24/61/671082461.db2.gz YFPLIYSJKPPOAO-KRWDZBQOSA-N 1 0 324.421 0.637 20 10 DCCDRO COC[C@@H](O)C[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000818982654 671083670 /nfs/dbraw/zinc/08/36/70/671083670.db2.gz PTCNUYDPFWFEMH-INIZCTEOSA-N 1 0 323.437 0.414 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000852802564 671161975 /nfs/dbraw/zinc/16/19/75/671161975.db2.gz QCZXKYAWPBAYAA-SECBINFHSA-N 1 0 305.338 0.442 20 10 DCCDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852859359 671176930 /nfs/dbraw/zinc/17/69/30/671176930.db2.gz RXHOLKSTIPVCME-CVEARBPZSA-N 1 0 319.405 0.503 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000825942919 671475189 /nfs/dbraw/zinc/47/51/89/671475189.db2.gz PBSQWBJMYUQBAS-UHFFFAOYSA-N 1 0 316.409 0.965 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000828145125 671545407 /nfs/dbraw/zinc/54/54/07/671545407.db2.gz ZBNRKYHXSOMVHM-CQSZACIVSA-N 1 0 319.405 0.999 20 10 DCCDRO CC[C@@H]([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000829504205 671578317 /nfs/dbraw/zinc/57/83/17/671578317.db2.gz BOJSSVPOLRDCLT-MRXNPFEDSA-N 1 0 320.437 0.671 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)C[NH3+])cc2)CC1 ZINC000832171929 671706910 /nfs/dbraw/zinc/70/69/10/671706910.db2.gz ARVOLOULOWBOIU-ZDUSSCGKSA-N 1 0 318.421 0.566 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ccccc2=O)cc1 ZINC000832292914 671713518 /nfs/dbraw/zinc/71/35/18/671713518.db2.gz NEKILUAPKLOXIT-HNNXBMFYSA-N 1 0 314.389 0.731 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000832300214 671713819 /nfs/dbraw/zinc/71/38/19/671713819.db2.gz OUKWGYDUGZKXIR-CYBMUJFWSA-N 1 0 315.377 0.609 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNS(=O)(=O)N(C)C ZINC000840947500 671907021 /nfs/dbraw/zinc/90/70/21/671907021.db2.gz WXDZWMRGRQKCTP-UHFFFAOYSA-N 1 0 314.455 0.547 20 10 DCCDRO C[NH2+]CCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729086 671952080 /nfs/dbraw/zinc/95/20/80/671952080.db2.gz BALDUAXARIXXAU-UHFFFAOYSA-N 1 0 306.410 0.932 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000841919611 671965735 /nfs/dbraw/zinc/96/57/35/671965735.db2.gz CWWJYZPXGZOGSI-UHFFFAOYSA-N 1 0 319.453 0.799 20 10 DCCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149367 671985965 /nfs/dbraw/zinc/98/59/65/671985965.db2.gz XHDRYCTZBWTPSE-JTQLQIEISA-N 1 0 310.373 0.314 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000842153221 671986349 /nfs/dbraw/zinc/98/63/49/671986349.db2.gz MLFOVNGELPKYNI-ZDUSSCGKSA-N 1 0 304.394 0.237 20 10 DCCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150710 671986540 /nfs/dbraw/zinc/98/65/40/671986540.db2.gz WLEIDXYVRNZBKW-LBPRGKRZSA-N 1 0 318.421 0.396 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)C[NH3+])cc1 ZINC000842253530 672000178 /nfs/dbraw/zinc/00/01/78/672000178.db2.gz NOBBFSHDUNHJRY-CYBMUJFWSA-N 1 0 320.437 0.955 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000842257188 672000677 /nfs/dbraw/zinc/00/06/77/672000677.db2.gz PRKZKTQENXPSOY-HNNXBMFYSA-N 1 0 318.421 0.565 20 10 DCCDRO CO[C@H](C)CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785407 672036816 /nfs/dbraw/zinc/03/68/16/672036816.db2.gz MSGNHAQZRZDANW-BXUZGUMPSA-N 1 0 315.439 0.707 20 10 DCCDRO CCN(CC)S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842787064 672037383 /nfs/dbraw/zinc/03/73/83/672037383.db2.gz ZKVRQSLDEDZJOV-AWEZNQCLSA-N 1 0 314.455 0.929 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)CO)CC2)cc1 ZINC000843070965 672058849 /nfs/dbraw/zinc/05/88/49/672058849.db2.gz HMRBAFUHFHQZSY-HOCLYGCPSA-N 1 0 323.437 0.149 20 10 DCCDRO C[NH2+]C[C@@](C)(O)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000846219732 672301224 /nfs/dbraw/zinc/30/12/24/672301224.db2.gz FSCJAYVZPKAXAF-MRXNPFEDSA-N 1 0 311.401 0.927 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000846697100 672338601 /nfs/dbraw/zinc/33/86/01/672338601.db2.gz KCXSCUHUBKVQJH-OAHLLOKOSA-N 1 0 307.394 0.578 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+][C@H]2C[C@H](NC(C)=O)C2)cc1 ZINC001019903920 693620350 /nfs/dbraw/zinc/62/03/50/693620350.db2.gz XMDAILRMUABFEM-HAQNSBGRSA-N 1 0 316.365 0.428 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC001576051830 1164224946 /nfs/dbraw/zinc/22/49/46/1164224946.db2.gz DXQNMGICWXGCAW-BZNIZROVSA-N 1 0 308.378 0.901 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1 ZINC001578424268 1165010936 /nfs/dbraw/zinc/01/09/36/1165010936.db2.gz CFLHKIVYNAUEBR-IPYPFGDCSA-N 1 0 318.421 0.770 20 10 DCCDRO O=C1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CN1C1C[NH2+]C1 ZINC001580838233 1165732207 /nfs/dbraw/zinc/73/22/07/1165732207.db2.gz OUNOHZVMXRVZGJ-SECBINFHSA-N 1 0 313.760 0.847 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001627273282 1171501576 /nfs/dbraw/zinc/50/15/76/1171501576.db2.gz BTFALLWFEUXBLY-QWHCGFSZSA-N 1 0 306.362 0.620 20 10 DCCDRO CN1CC[NH+](CC2CN(C(=O)Cc3ccc(O)c(O)c3)C2)CC1 ZINC001641393622 1171913088 /nfs/dbraw/zinc/91/30/88/1171913088.db2.gz SKXBNCMGEDJNHY-UHFFFAOYSA-N 1 0 319.405 0.346 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]CC3(CO)COC3)cc2F)CC1 ZINC001655959376 1173831400 /nfs/dbraw/zinc/83/14/00/1173831400.db2.gz OGMGJTINKWRDQO-UHFFFAOYSA-N 1 0 323.412 0.676 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2COCCO2)cc1C ZINC001663824674 1174356016 /nfs/dbraw/zinc/35/60/16/1174356016.db2.gz ISNQMLCVUWUORJ-INIZCTEOSA-N 1 0 322.405 0.967 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)cc1C ZINC001676592032 1175464905 /nfs/dbraw/zinc/46/49/05/1175464905.db2.gz HNVSQUBGOGQNLV-LBPRGKRZSA-N 1 0 320.349 0.267 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2cnnn2C)cc1C ZINC001126528599 748940264 /nfs/dbraw/zinc/94/02/64/748940264.db2.gz MRUZFLHALBMCGM-UHFFFAOYSA-N 1 0 303.366 0.652 20 10 DCCDRO COc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000697271682 749522073 /nfs/dbraw/zinc/52/20/73/749522073.db2.gz YHEYVDSDMQHIER-YPMHNXCESA-N 1 0 301.364 0.302 20 10 DCCDRO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644261 754457337 /nfs/dbraw/zinc/45/73/37/754457337.db2.gz GJHIAOYMVIDOMB-STQMWFEESA-N 1 0 319.365 0.986 20 10 DCCDRO CN(C[C@H]1CC[N@@H+]1CCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994090 759555143 /nfs/dbraw/zinc/55/51/43/759555143.db2.gz BMVJJHDKPDYEHF-CYBMUJFWSA-N 1 0 319.365 0.988 20 10 DCCDRO N=c1sc2c(n1C(=O)c1cc(O)c(O)c(O)c1)CC[C@H]([NH3+])C2 ZINC001148589751 768021586 /nfs/dbraw/zinc/02/15/86/768021586.db2.gz JUJAQYRMGZMOPD-ZETCQYMHSA-N 1 0 321.358 0.650 20 10 DCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccc(O)c(O)c1 ZINC001123768888 768054073 /nfs/dbraw/zinc/05/40/73/768054073.db2.gz FLHNGPXNCXNDPM-DGCLKSJQSA-N 1 0 305.378 0.145 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1C ZINC001132362656 764419033 /nfs/dbraw/zinc/41/90/33/764419033.db2.gz JWWNQGQVZQIINZ-ZIAGYGMSSA-N 1 0 319.405 0.721 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001117979904 766184473 /nfs/dbraw/zinc/18/44/73/766184473.db2.gz AYWIJOYFSWQUAE-STQMWFEESA-N 1 0 305.378 0.737 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc(Cn2cncn2)cc1 ZINC001170994606 766377532 /nfs/dbraw/zinc/37/75/32/766377532.db2.gz VSVHFSLTLWABHS-UHFFFAOYSA-N 1 0 303.366 0.655 20 10 DCCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515473 766964384 /nfs/dbraw/zinc/96/43/84/766964384.db2.gz PVMDUIJJIPTDSZ-GFCCVEGCSA-N 1 0 323.345 0.815 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CCNC(N)=O)cc1C ZINC001150432117 769094703 /nfs/dbraw/zinc/09/47/03/769094703.db2.gz LSRUURNNKMXMAQ-UHFFFAOYSA-N 1 0 308.382 0.268 20 10 DCCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c(O)c1 ZINC001232841212 769338406 /nfs/dbraw/zinc/33/84/06/769338406.db2.gz YLZMHDMWNKTDQC-UHFFFAOYSA-N 1 0 319.405 0.939 20 10 DCCDRO O=S1(=O)CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236295155 769988799 /nfs/dbraw/zinc/98/87/99/769988799.db2.gz PSUCSDFVPQJVFX-ZBFHGGJFSA-N 1 0 321.446 0.325 20 10 DCCDRO O=C(CNc1cc2c(nn1)CC[NH2+]C2)c1ccc(O)c(O)c1 ZINC001159279780 771889860 /nfs/dbraw/zinc/88/98/60/771889860.db2.gz YONFASZOXOZSCG-UHFFFAOYSA-N 1 0 300.318 0.828 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])COC(C)=O ZINC001161134898 772173120 /nfs/dbraw/zinc/17/31/20/772173120.db2.gz QTUSVVLRQIVQJM-HNNXBMFYSA-N 1 0 307.394 0.992 20 10 DCCDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)Cc1ccc(N)cc1)CC2 ZINC001161479356 772230865 /nfs/dbraw/zinc/23/08/65/772230865.db2.gz KGZFYVXBTFZBRC-YOEHRIQHSA-N 1 0 317.389 0.565 20 10 DCCDRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(O)c(O)c2)N1 ZINC001203879911 772928202 /nfs/dbraw/zinc/92/82/02/772928202.db2.gz GWKXJMUGWPPAOZ-SOSAQKQKSA-N 1 0 317.345 0.803 20 10 DCCDRO COC(=O)c1c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206480694 773080792 /nfs/dbraw/zinc/08/07/92/773080792.db2.gz IEDFVTRKTCYTBU-XHDPSFHLSA-N 1 0 317.389 0.716 20 10 DCCDRO Oc1cc(O)c(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1O ZINC001222685201 775414794 /nfs/dbraw/zinc/41/47/94/775414794.db2.gz PPJVIQLXVDSRBU-INIZCTEOSA-N 1 0 307.394 0.721 20 10 DCCDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1 ZINC001270037977 940821266 /nfs/dbraw/zinc/82/12/66/940821266.db2.gz PSZBYCXLLUKFPW-KBPBESRZSA-N 1 0 319.405 0.948 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001276833459 944320390 /nfs/dbraw/zinc/32/03/90/944320390.db2.gz NZQFTEWBZPRWOS-TXEJJXNPSA-N 1 0 321.377 0.150 20 10 DCCDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)c1O ZINC001277452525 944823781 /nfs/dbraw/zinc/82/37/81/944823781.db2.gz URYOKPPTZXDXCM-DYEKYZERSA-N 1 0 306.362 0.866 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)c1 ZINC001277463530 944827804 /nfs/dbraw/zinc/82/78/04/944827804.db2.gz LPRCDJWNVBNHRM-ZLDLUXBVSA-N 1 0 306.362 0.866 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001249179075 945625264 /nfs/dbraw/zinc/62/52/64/945625264.db2.gz ZVQFPWJGYHVRPZ-ZFWWWQNUSA-N 1 0 309.362 0.283 20 10 DCCDRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001256013295 946572710 /nfs/dbraw/zinc/57/27/10/946572710.db2.gz VJYJPUDVYQPLPQ-SMDDNHRTSA-N 1 0 310.350 0.952 20 10 DCCDRO COC(OC)C(=O)N1CCN(Cc2cccc(F)c2O)CC1 ZINC001462588918 1013072644 /nfs/dbraw/zinc/07/26/44/1013072644.db2.gz IMXXNTWCLGSZFV-UHFFFAOYSA-N 1 0 312.341 0.794 20 10 DCCDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261864954 947464058 /nfs/dbraw/zinc/46/40/58/947464058.db2.gz QQWQERUGDMNVRT-GFCCVEGCSA-N 1 0 317.389 0.645 20 10 DCCDRO Nc1ccc(CC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001262037242 947537752 /nfs/dbraw/zinc/53/77/52/947537752.db2.gz QAAVYHYUXXNUEQ-UHFFFAOYSA-N 1 0 312.377 0.650 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001325745863 947908652 /nfs/dbraw/zinc/90/86/52/947908652.db2.gz NJJAXMQRHSYXHJ-CQSZACIVSA-N 1 0 319.405 0.984 20 10 DCCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331165415 950981073 /nfs/dbraw/zinc/98/10/73/950981073.db2.gz PDWJIFUPXCYHTF-GFCCVEGCSA-N 1 0 305.378 0.724 20 10 DCCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)CC(N)=O)C2)cc1C ZINC001275215369 952012220 /nfs/dbraw/zinc/01/22/20/952012220.db2.gz QJTINZCVYUDIFZ-UHFFFAOYSA-N 1 0 319.405 0.863 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCO)C(=O)[O-])cc2)CC1 ZINC001334845378 952400892 /nfs/dbraw/zinc/40/08/92/952400892.db2.gz UJFNVKKFWHQHIX-HNNXBMFYSA-N 1 0 307.394 0.364 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001275821577 952478869 /nfs/dbraw/zinc/47/88/69/952478869.db2.gz UYBYASJSRSCZIG-BETUJISGSA-N 1 0 305.378 0.445 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H]1C[NH3+] ZINC001335261369 952505840 /nfs/dbraw/zinc/50/58/40/952505840.db2.gz HGEVTJJCUBULEZ-CHWSQXEVSA-N 1 0 319.405 0.794 20 10 DCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCSc1nccs1 ZINC001339937912 953132328 /nfs/dbraw/zinc/13/23/28/953132328.db2.gz CZUOITCOJMQRDR-ZJUUUORDSA-N 1 0 303.453 0.958 20 10 DCCDRO NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CCC[NH2+]CC1)CC2 ZINC001340062862 953141427 /nfs/dbraw/zinc/14/14/27/953141427.db2.gz IKNQGMVTOTWOPJ-UHFFFAOYSA-N 1 0 321.402 0.533 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001346737445 953951983 /nfs/dbraw/zinc/95/19/83/953951983.db2.gz ZMOVWSIWAVDPJO-DYEKYZERSA-N 1 0 319.405 0.533 20 10 DCCDRO C[C@H](NC(=O)NCc1ccccc1O)[C@H]1C[N@H+](C)CCN1C ZINC001351612632 955357553 /nfs/dbraw/zinc/35/75/53/955357553.db2.gz LQPGPTZFTDODSY-GXTWGEPZSA-N 1 0 306.410 0.826 20 10 DCCDRO O=C(C(=O)N1CCC2(CC[NH2+]2)CC1)N1Cc2cccc(O)c2C1 ZINC001351982435 955479122 /nfs/dbraw/zinc/47/91/22/955479122.db2.gz FQPOPIRFYRRNOV-UHFFFAOYSA-N 1 0 315.373 0.589 20 10 DCCDRO COC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001353255216 955993443 /nfs/dbraw/zinc/99/34/43/955993443.db2.gz SDIBQPGXUBFMMV-HNNXBMFYSA-N 1 0 306.410 0.882 20 10 DCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001357362044 957256704 /nfs/dbraw/zinc/25/67/04/957256704.db2.gz MUKFKSGRMRROCC-CJNGLKHVSA-N 1 0 321.421 0.356 20 10 DCCDRO C[NH+](C)CCn1ccc(C(=O)NCc2cc(O)ccc2O)n1 ZINC001303225858 960043791 /nfs/dbraw/zinc/04/37/91/960043791.db2.gz PPGBFRWTGPMKND-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO C[C@@H]([NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1)c1ccccc1O ZINC001460635116 1012948881 /nfs/dbraw/zinc/94/88/81/1012948881.db2.gz GERFVSXDGVBXLK-MRVPVSSYSA-N 1 0 300.322 0.556 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)c1 ZINC001521265482 1017342435 /nfs/dbraw/zinc/34/24/35/1017342435.db2.gz DISLFRUACSUKEX-XUJVJEKNSA-N 1 0 319.405 0.966 20 10 DCCDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CC[NH+](C)CC1 ZINC000272465512 130032984 /nfs/dbraw/zinc/03/29/84/130032984.db2.gz OZPGCWBCGFWGPM-DIECRNLCSA-N 1 0 319.405 0.863 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000279379597 396170542 /nfs/dbraw/zinc/17/05/42/396170542.db2.gz IZLDSXVVHYLOKS-MRXNPFEDSA-N 1 0 319.361 0.965 20 10 DCCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000289747665 415714636 /nfs/dbraw/zinc/71/46/36/415714636.db2.gz IZGQBQLWKVWERL-UHFFFAOYSA-N 1 0 316.365 0.032 20 10 DCCDRO C[NH+](C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000171188092 416038157 /nfs/dbraw/zinc/03/81/57/416038157.db2.gz VBNDLJMMOQYAEN-UHFFFAOYSA-N 1 0 309.385 0.965 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](OC)C1)cc2=O ZINC000267753151 521580635 /nfs/dbraw/zinc/58/06/35/521580635.db2.gz DWFNACKXAPNGJC-NSHDSACASA-N 1 0 320.349 0.832 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000237162127 521773466 /nfs/dbraw/zinc/77/34/66/521773466.db2.gz FRCDTWDGLHHPLP-CQSZACIVSA-N 1 0 318.421 0.338 20 10 DCCDRO COc1ccc(CN2CC[N@H+](CCO)[C@@H](C)C2)c(O)c1OC ZINC000893717129 661379220 /nfs/dbraw/zinc/37/92/20/661379220.db2.gz NEXKQIGQEXKYOM-LBPRGKRZSA-N 1 0 310.394 0.908 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(O)c1 ZINC000897059519 662387441 /nfs/dbraw/zinc/38/74/41/662387441.db2.gz XQQRWZYTACOTPK-LLVKDONJSA-N 1 0 314.407 0.901 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000320803391 662522211 /nfs/dbraw/zinc/52/22/11/662522211.db2.gz PUUWUYIVLQZWKV-MRXNPFEDSA-N 1 0 319.405 0.722 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)[C@H]2C)cc1C ZINC000986096090 662553108 /nfs/dbraw/zinc/55/31/08/662553108.db2.gz DNHQVJPISZFQLL-GXTWGEPZSA-N 1 0 319.405 0.958 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897832264 662928278 /nfs/dbraw/zinc/92/82/78/662928278.db2.gz NBQAEMKFBNPMIF-UHFFFAOYSA-N 1 0 314.407 0.916 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911125298 663986645 /nfs/dbraw/zinc/98/66/45/663986645.db2.gz PHFJCCYBHLNXHK-UHFFFAOYSA-N 1 0 304.394 0.285 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)ccc2=O)cc1 ZINC000911667894 664097142 /nfs/dbraw/zinc/09/71/42/664097142.db2.gz SYYQZZJJXFRAPA-OAHLLOKOSA-N 1 0 314.389 0.881 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3COC(=O)N3)cc2)CC1 ZINC000918838070 665184953 /nfs/dbraw/zinc/18/49/53/665184953.db2.gz CMCRDHXIPJRLLB-CQSZACIVSA-N 1 0 318.377 0.163 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C(C)(C)CC(N)=O)cc1 ZINC000186209910 665333414 /nfs/dbraw/zinc/33/34/14/665333414.db2.gz PDZFBPLLRHORBB-UHFFFAOYSA-N 1 0 320.437 0.955 20 10 DCCDRO Cn1cc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2O)cn1 ZINC000072629643 666369629 /nfs/dbraw/zinc/36/96/29/666369629.db2.gz SUFXPESNHWWRHO-UHFFFAOYSA-N 1 0 324.406 0.536 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861750154 666971771 /nfs/dbraw/zinc/97/17/71/666971771.db2.gz FRGQRYFABWUGAW-SWLSCSKDSA-N 1 0 318.421 0.544 20 10 DCCDRO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000862535914 667047705 /nfs/dbraw/zinc/04/77/05/667047705.db2.gz BSFNHXFMLRENPS-UHFFFAOYSA-N 1 0 303.359 0.112 20 10 DCCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000863298572 667125777 /nfs/dbraw/zinc/12/57/77/667125777.db2.gz ZVCYJFMDCRYZOJ-BBRMVZONSA-N 1 0 323.345 0.582 20 10 DCCDRO COCC[C@H]([NH3+])C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000884386270 667535800 /nfs/dbraw/zinc/53/58/00/667535800.db2.gz KFFGWIBFHOUDHS-HNNXBMFYSA-N 1 0 309.410 0.954 20 10 DCCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000886255789 667747664 /nfs/dbraw/zinc/74/76/64/667747664.db2.gz KIRXXDYSTURTJZ-BZWBGLRVSA-N 1 0 310.369 0.636 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)CCC(=O)N2)cc1 ZINC000876507111 668458011 /nfs/dbraw/zinc/45/80/11/668458011.db2.gz VSCYNPZCVPDVKB-CJNGLKHVSA-N 1 0 304.394 0.537 20 10 DCCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000764849271 668464336 /nfs/dbraw/zinc/46/43/36/668464336.db2.gz MXSIVRCDXPHBRA-ZDUSSCGKSA-N 1 0 305.378 0.146 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000876605669 668474383 /nfs/dbraw/zinc/47/43/83/668474383.db2.gz OHPRUYOLHHNRCJ-OAQYLSRUSA-N 1 0 310.419 0.851 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000775668666 668866345 /nfs/dbraw/zinc/86/63/45/668866345.db2.gz GDYGHONFORCSEK-MRXNPFEDSA-N 1 0 318.421 0.125 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000778211495 668895173 /nfs/dbraw/zinc/89/51/73/668895173.db2.gz ZSAAMUDEINMGRX-UHFFFAOYSA-N 1 0 300.380 0.382 20 10 DCCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779406271 668910673 /nfs/dbraw/zinc/91/06/73/668910673.db2.gz VQGFKBYQOOYBEN-ZDUSSCGKSA-N 1 0 312.435 0.782 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC000930737421 669072472 /nfs/dbraw/zinc/07/24/72/669072472.db2.gz MOLNREKZEJVFMS-WBVHZDCISA-N 1 0 306.406 0.698 20 10 DCCDRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647447 669081359 /nfs/dbraw/zinc/08/13/59/669081359.db2.gz CLVNZJSLSTUVFK-WDEREUQCSA-N 1 0 309.366 0.904 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000785438683 669257759 /nfs/dbraw/zinc/25/77/59/669257759.db2.gz FGVIZHFWHZVZHX-CQSZACIVSA-N 1 0 318.421 0.579 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000785984527 669284099 /nfs/dbraw/zinc/28/40/99/669284099.db2.gz IJUBNXUOQKAZCK-NSHDSACASA-N 1 0 300.380 0.654 20 10 DCCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)CN1 ZINC000788382907 669436228 /nfs/dbraw/zinc/43/62/28/669436228.db2.gz HUGABQHMUAGCQG-CJNGLKHVSA-N 1 0 304.346 0.530 20 10 DCCDRO COc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(O)c1 ZINC000792933460 669692652 /nfs/dbraw/zinc/69/26/52/669692652.db2.gz ZOBHFNVLDYZKEO-ZDUSSCGKSA-N 1 0 322.409 0.446 20 10 DCCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000190305934 670415548 /nfs/dbraw/zinc/41/55/48/670415548.db2.gz XEGQHYYPIOYVFZ-UHFFFAOYSA-N 1 0 323.212 0.794 20 10 DCCDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221573 670536368 /nfs/dbraw/zinc/53/63/68/670536368.db2.gz PKORXHMDNHLZLB-JKSUJKDBSA-N 1 0 323.462 0.891 20 10 DCCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817993438 670959943 /nfs/dbraw/zinc/95/99/43/670959943.db2.gz JGHNHQYAAFSMIB-LBPRGKRZSA-N 1 0 306.410 0.517 20 10 DCCDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000858209841 670979644 /nfs/dbraw/zinc/97/96/44/670979644.db2.gz AGRLYVGQWZZZCP-AWEZNQCLSA-N 1 0 306.410 0.746 20 10 DCCDRO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(F)ccc1O ZINC000858569483 671016351 /nfs/dbraw/zinc/01/63/51/671016351.db2.gz IPAPWELQVCLKCM-VIFPVBQESA-N 1 0 317.386 0.673 20 10 DCCDRO C[C@@H](NNC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ncnn1C ZINC000852791827 671160566 /nfs/dbraw/zinc/16/05/66/671160566.db2.gz NEUKSZFURBYMCM-BXUZGUMPSA-N 1 0 303.414 0.736 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000852843676 671171791 /nfs/dbraw/zinc/17/17/91/671171791.db2.gz DTHWIKMBVIWXTL-SWLSCSKDSA-N 1 0 305.378 0.379 20 10 DCCDRO c1cc(N2CCOCC2)ccc1CN1CCOC2(C[NH2+]C2)C1 ZINC000853250389 671223669 /nfs/dbraw/zinc/22/36/69/671223669.db2.gz YHBTVFRMKISZIE-UHFFFAOYSA-N 1 0 303.406 0.697 20 10 DCCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824677529 671436707 /nfs/dbraw/zinc/43/67/07/671436707.db2.gz FNUBZFOQQRIHEA-JTQLQIEISA-N 1 0 316.379 0.538 20 10 DCCDRO COc1cc(O)c(CN2CC[N@H+](CCO)C[C@H]2C)cc1OC ZINC000825336990 671456844 /nfs/dbraw/zinc/45/68/44/671456844.db2.gz BWBBMXFAPKUMIO-GFCCVEGCSA-N 1 0 310.394 0.908 20 10 DCCDRO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1O ZINC000827937289 671540232 /nfs/dbraw/zinc/54/02/32/671540232.db2.gz QSTMEHISZJGHFA-OLZOCXBDSA-N 1 0 319.405 0.980 20 10 DCCDRO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1O ZINC000827978366 671541089 /nfs/dbraw/zinc/54/10/89/671541089.db2.gz QSTMEHISZJGHFA-QWHCGFSZSA-N 1 0 319.405 0.980 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000828667242 671558212 /nfs/dbraw/zinc/55/82/12/671558212.db2.gz OQIWMXLXSPAMDY-SNVBAGLBSA-N 1 0 319.365 0.832 20 10 DCCDRO COCC[NH2+]CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748536 671683642 /nfs/dbraw/zinc/68/36/42/671683642.db2.gz FTRDPBISRDBEHH-AWEZNQCLSA-N 1 0 321.421 0.874 20 10 DCCDRO C[NH2+]CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832173666 671706903 /nfs/dbraw/zinc/70/69/03/671706903.db2.gz ULJWEKUWTKTUBY-UHFFFAOYSA-N 1 0 304.394 0.191 20 10 DCCDRO Nc1ccc(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000841791202 671956058 /nfs/dbraw/zinc/95/60/58/671956058.db2.gz PJTDQVGSCDBHLT-HZPDHXFCSA-N 1 0 318.421 0.974 20 10 DCCDRO [NH3+]CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841916062 671965981 /nfs/dbraw/zinc/96/59/81/671965981.db2.gz WZZJZSOCQJBEED-UHFFFAOYSA-N 1 0 314.336 0.559 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000842035380 671977360 /nfs/dbraw/zinc/97/73/60/671977360.db2.gz GIKAAQMOIZTNPF-STQMWFEESA-N 1 0 318.421 0.578 20 10 DCCDRO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000842091582 671982195 /nfs/dbraw/zinc/98/21/95/671982195.db2.gz FWJBAGHTQAAHBA-VIFPVBQESA-N 1 0 314.436 0.220 20 10 DCCDRO C[NH2+]CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149971 671986293 /nfs/dbraw/zinc/98/62/93/671986293.db2.gz IZFGMDDJRGOMEZ-UHFFFAOYSA-N 1 0 304.394 0.021 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000842154344 671986881 /nfs/dbraw/zinc/98/68/81/671986881.db2.gz SQPJRVDKSCNSFI-AWEZNQCLSA-N 1 0 318.421 0.545 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000842202738 671994093 /nfs/dbraw/zinc/99/40/93/671994093.db2.gz KYRKLKFFCMPICY-CHWSQXEVSA-N 1 0 318.421 0.750 20 10 DCCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842249660 672000062 /nfs/dbraw/zinc/00/00/62/672000062.db2.gz QMYCCQBQCSKCBK-LBPRGKRZSA-N 1 0 306.410 0.422 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000842254338 672000605 /nfs/dbraw/zinc/00/06/05/672000605.db2.gz UMCRMYXQRRYXND-GFCCVEGCSA-N 1 0 307.394 0.984 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)N2CCCC2)cc1 ZINC000842783921 672036784 /nfs/dbraw/zinc/03/67/84/672036784.db2.gz FPNKYWPBCUHYQI-AWEZNQCLSA-N 1 0 312.439 0.683 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2ccon2)cc1 ZINC000842784068 672036976 /nfs/dbraw/zinc/03/69/76/672036976.db2.gz AEZYKZIFUIPEOZ-AWEZNQCLSA-N 1 0 324.406 0.860 20 10 DCCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000843261896 672076622 /nfs/dbraw/zinc/07/66/22/672076622.db2.gz NLVDSPOQEKWTPA-MNOVXSKESA-N 1 0 324.400 0.750 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](O)C2CCOCC2)cc1 ZINC000843298135 672079776 /nfs/dbraw/zinc/07/97/76/672079776.db2.gz MPXSTHAITPXKCZ-CVEARBPZSA-N 1 0 321.421 0.656 20 10 DCCDRO CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297802 672079804 /nfs/dbraw/zinc/07/98/04/672079804.db2.gz KCIHZYSZEAQOGS-CQSZACIVSA-N 1 0 306.410 0.783 20 10 DCCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[NH2+]1 ZINC000844174364 672157104 /nfs/dbraw/zinc/15/71/04/672157104.db2.gz YCJJTUYMFRCDIT-MRXNPFEDSA-N 1 0 303.406 0.873 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@@H](C[NH3+])C2)cc1 ZINC000844222917 672165633 /nfs/dbraw/zinc/16/56/33/672165633.db2.gz OGULVIZAYQLDGH-INIZCTEOSA-N 1 0 320.437 0.371 20 10 DCCDRO CNC(=O)NC(=O)CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399124 672179707 /nfs/dbraw/zinc/17/97/07/672179707.db2.gz GYXGXRPHHHZGHH-UHFFFAOYSA-N 1 0 322.409 0.909 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)NC2CC2)c1O ZINC001653232901 1173784850 /nfs/dbraw/zinc/78/48/50/1173784850.db2.gz DQDSEZFKWTVXSR-UHFFFAOYSA-N 1 0 314.407 0.881 20 10 DCCDRO COc1cc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)cc1OC ZINC001660033475 1173938489 /nfs/dbraw/zinc/93/84/89/1173938489.db2.gz DOLNTPCOFXLFHP-KOLCDFICSA-N 1 0 315.391 0.932 20 10 DCCDRO CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699073509 1177826644 /nfs/dbraw/zinc/82/66/44/1177826644.db2.gz TXICWVUZPASWEP-GFCCVEGCSA-N 1 0 307.354 0.939 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C(N)=O)C2)cc1C ZINC001754705160 1188909269 /nfs/dbraw/zinc/90/92/69/1188909269.db2.gz XBAXTZIEUYLYLF-QGZVFWFLSA-N 1 0 319.405 0.817 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)NC(N)=O)cc1C ZINC001127153948 750554704 /nfs/dbraw/zinc/55/47/04/750554704.db2.gz GVBTZMCYWNHXIX-LBPRGKRZSA-N 1 0 322.409 0.656 20 10 DCCDRO C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001081026225 756418227 /nfs/dbraw/zinc/41/82/27/756418227.db2.gz UVZKGTOICOQKMR-ZWNOBZJWSA-N 1 0 319.365 0.891 20 10 DCCDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cccc(O)c2O)O1 ZINC001148224406 767941933 /nfs/dbraw/zinc/94/19/33/767941933.db2.gz KIYWZSURXRHBQZ-LALPHHSUSA-N 1 0 310.350 0.552 20 10 DCCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)C(N)=O)C2)cc1C ZINC001100627577 763690179 /nfs/dbraw/zinc/69/01/79/763690179.db2.gz LSLJPVXZMNIWMO-UHFFFAOYSA-N 1 0 305.378 0.473 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000697286142 765474545 /nfs/dbraw/zinc/47/45/45/765474545.db2.gz IHNMYTJWLQOMRC-CMPLNLGQSA-N 1 0 305.783 0.947 20 10 DCCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119611484 766748801 /nfs/dbraw/zinc/74/88/01/766748801.db2.gz SPMIEMWGBFIABM-ZDUSSCGKSA-N 1 0 317.389 0.835 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)cc1F ZINC001122006176 767694921 /nfs/dbraw/zinc/69/49/21/767694921.db2.gz ZONCRKZUQRNJLL-GFCCVEGCSA-N 1 0 311.357 0.193 20 10 DCCDRO COc1cc(CN2CCO[C@H](C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139258280 768464642 /nfs/dbraw/zinc/46/46/42/768464642.db2.gz OWDXUXIGLJEEQM-AWEZNQCLSA-N 1 0 323.393 0.149 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140950456 768558252 /nfs/dbraw/zinc/55/82/52/768558252.db2.gz UOTQNMIYLZZURY-KRWDZBQOSA-N 1 0 317.389 0.623 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(OC)c1 ZINC001141031761 768563152 /nfs/dbraw/zinc/56/31/52/768563152.db2.gz KCVFUBBJIQPDAW-CVEARBPZSA-N 1 0 311.378 0.975 20 10 DCCDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(O)ccc2O)O1 ZINC001141157679 768570249 /nfs/dbraw/zinc/57/02/49/768570249.db2.gz LZZZJOHIJLWPMX-YUELXQCFSA-N 1 0 306.362 0.918 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(OC)c(O)cc2O)CCN1C ZINC001231639565 769270972 /nfs/dbraw/zinc/27/09/72/769270972.db2.gz UKFYRYFXABGYQA-NSHDSACASA-N 1 0 310.350 0.395 20 10 DCCDRO COc1cc(CN(C)CC(=O)N2CCOCC2)c(O)cc1O ZINC001231634597 769271839 /nfs/dbraw/zinc/27/18/39/769271839.db2.gz PMSMAWVKXBUTJL-UHFFFAOYSA-N 1 0 310.350 0.397 20 10 DCCDRO OC[C@@H]1C[C@@](O)(C(F)(F)F)CN1Cc1cc(O)c(O)cc1O ZINC001233483267 769369249 /nfs/dbraw/zinc/36/92/49/769369249.db2.gz SSUSKUMXZZXDJG-UFBFGSQYSA-N 1 0 323.267 0.663 20 10 DCCDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O ZINC001153037302 769701021 /nfs/dbraw/zinc/70/10/21/769701021.db2.gz LELRFXAZRBNCFD-NSHDSACASA-N 1 0 320.353 0.432 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@H]1[NH3+] ZINC001236343836 769999391 /nfs/dbraw/zinc/99/93/91/769999391.db2.gz AXKSUUYANOOOOA-QWHCGFSZSA-N 1 0 305.378 0.447 20 10 DCCDRO COCCNC(=O)C1([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC001182237847 771442999 /nfs/dbraw/zinc/44/29/99/771442999.db2.gz GQYLSBUVBJBDSU-UHFFFAOYSA-N 1 0 324.377 0.794 20 10 DCCDRO COc1c(O)c(C[NH2+]CC(=O)N2CCCO2)ccc1[N+](=O)[O-] ZINC001184279257 771772513 /nfs/dbraw/zinc/77/25/13/771772513.db2.gz ZCZORHZGVUGTHB-UHFFFAOYSA-N 1 0 311.294 0.563 20 10 DCCDRO COc1ccc(C[NH+]2CCN(c3ncncn3)CC2)c(O)c1 ZINC001203634826 772917201 /nfs/dbraw/zinc/91/72/01/772917201.db2.gz XAYSYIWZERQPJX-UHFFFAOYSA-N 1 0 301.350 0.908 20 10 DCCDRO COC(=O)c1c(CN2C[C@@H]([NH3+])[C@H](O)C2)c2ccccc2n1C ZINC001205364028 772989350 /nfs/dbraw/zinc/98/93/50/772989350.db2.gz ZMYPGJIYJPUOOC-TZMCWYRMSA-N 1 0 303.362 0.469 20 10 DCCDRO CCOC(=O)C1=C(NC(=O)/C=C/c2ccc(O)c(O)c2)C[NH2+]C1 ZINC001220827615 774927219 /nfs/dbraw/zinc/92/72/19/774927219.db2.gz VLAKNTDPRPUIEI-GQCTYLIASA-N 1 0 318.329 0.648 20 10 DCCDRO C[NH+]1CC2(C1)CCCN(C(=O)[C@@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971152 945162151 /nfs/dbraw/zinc/16/21/51/945162151.db2.gz GKLLUHKTXFKSTE-HNNXBMFYSA-N 1 0 320.389 0.555 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C(N)=O)C2CC2)cc1C ZINC001267857674 939695482 /nfs/dbraw/zinc/69/54/82/939695482.db2.gz FLZCZOXRNULXOY-QGZVFWFLSA-N 1 0 319.405 0.863 20 10 DCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1 ZINC001246212306 945364755 /nfs/dbraw/zinc/36/47/55/945364755.db2.gz NJTYYMPVKAQOQA-MNOVXSKESA-N 1 0 310.350 0.229 20 10 DCCDRO O=C(NCC1COC1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001277191978 944698151 /nfs/dbraw/zinc/69/81/51/944698151.db2.gz IERKIFIJDGPXJJ-SUMWQHHRSA-N 1 0 318.373 0.825 20 10 DCCDRO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001277440492 944818253 /nfs/dbraw/zinc/81/82/53/944818253.db2.gz ATDYKAJZVXOUCD-IAQYHMDHSA-N 1 0 314.349 0.376 20 10 DCCDRO Cn1nnnc1NC(=O)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277440790 944819285 /nfs/dbraw/zinc/81/92/85/944819285.db2.gz FGSSZPQTGLIJKC-NSHDSACASA-N 1 0 314.349 0.376 20 10 DCCDRO COC(=O)Cc1ccc(C[NH+]2CCN(CCCO)CC2)c(O)c1 ZINC001249177608 945622425 /nfs/dbraw/zinc/62/24/25/945622425.db2.gz FTVKTNYHZOKIGP-UHFFFAOYSA-N 1 0 322.405 0.608 20 10 DCCDRO COCCN1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249178767 945624360 /nfs/dbraw/zinc/62/43/60/945624360.db2.gz VRVGINPBNGBSQG-UHFFFAOYSA-N 1 0 322.405 0.872 20 10 DCCDRO Oc1ccc([C@H](O)C[NH2+]C[C@H](O)COCc2ccco2)cc1O ZINC001252626035 945970701 /nfs/dbraw/zinc/97/07/01/945970701.db2.gz ZJSCAWYSCLZOPE-BLLLJJGKSA-N 1 0 323.345 0.892 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCC[N@H+](C)C1 ZINC001255466709 946512545 /nfs/dbraw/zinc/51/25/45/946512545.db2.gz ZZEAKBGWTZDRTB-STQMWFEESA-N 1 0 308.378 0.866 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263095846 947808796 /nfs/dbraw/zinc/80/87/96/947808796.db2.gz YTJYXKUXBQNEBL-IXDOHACOSA-N 1 0 315.417 0.995 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001263095845 947808853 /nfs/dbraw/zinc/80/88/53/947808853.db2.gz YTJYXKUXBQNEBL-IKGGRYGDSA-N 1 0 315.417 0.995 20 10 DCCDRO CN1C[C@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)OCC1=O ZINC001273672045 948016484 /nfs/dbraw/zinc/01/64/84/948016484.db2.gz WYRSWIMOXNCICM-HNNXBMFYSA-N 1 0 308.334 0.237 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001326194843 948090631 /nfs/dbraw/zinc/09/06/31/948090631.db2.gz ZCKDPLBYZNYMMK-OCCSQVGLSA-N 1 0 319.405 0.984 20 10 DCCDRO CCCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC001329036128 949305617 /nfs/dbraw/zinc/30/56/17/949305617.db2.gz LABLZZXIARXREQ-CQSZACIVSA-N 1 0 319.405 0.951 20 10 DCCDRO CC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1[NH3+] ZINC001329503257 949645459 /nfs/dbraw/zinc/64/54/59/949645459.db2.gz AGOVVBJNTHFMMY-SMDDNHRTSA-N 1 0 317.389 0.820 20 10 DCCDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331165418 950981168 /nfs/dbraw/zinc/98/11/68/950981168.db2.gz PDWJIFUPXCYHTF-LBPRGKRZSA-N 1 0 305.378 0.724 20 10 DCCDRO CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CC[N@H+](C)C1 ZINC001332052776 951453503 /nfs/dbraw/zinc/45/35/03/951453503.db2.gz DXTWCDOPCMRLOX-ZDUSSCGKSA-N 1 0 317.389 0.787 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCCCCCC[NH3+] ZINC001332392268 951626889 /nfs/dbraw/zinc/62/68/89/951626889.db2.gz SEYDDJDKCZSEKL-UHFFFAOYSA-N 1 0 307.394 0.986 20 10 DCCDRO COC(=O)[C@@H]1C[NH+](Cc2cccc(OC)c2O)C[C@H]1C(=O)OC ZINC001335581420 952559920 /nfs/dbraw/zinc/55/99/20/952559920.db2.gz CWRYMCAWNWVCDM-VXGBXAGGSA-N 1 0 323.345 0.795 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCON)[NH+](C)C)cc1 ZINC001335688415 952583532 /nfs/dbraw/zinc/58/35/32/952583532.db2.gz FGOKPOOYYIGIFP-OAHLLOKOSA-N 1 0 323.441 0.935 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCSc1nccs1 ZINC001339937909 953132109 /nfs/dbraw/zinc/13/21/09/953132109.db2.gz CZUOITCOJMQRDR-NXEZZACHSA-N 1 0 303.453 0.958 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](O)c2cnn(C)c2)cc1 ZINC001341242996 953218574 /nfs/dbraw/zinc/21/85/74/953218574.db2.gz GIRIEBFVUWVOSZ-HUUCEWRRSA-N 1 0 317.393 0.336 20 10 DCCDRO CN1CC[NH2+]C[C@@H]1C(=O)NCCCSc1nccs1 ZINC001353342454 956029149 /nfs/dbraw/zinc/02/91/49/956029149.db2.gz UQKYJEWTSRJNNN-SNVBAGLBSA-N 1 0 300.453 0.645 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCNC(N)=O)cc1C ZINC001491666420 959100452 /nfs/dbraw/zinc/10/04/52/959100452.db2.gz YHJNVSUMCSAEGG-GFCCVEGCSA-N 1 0 322.409 0.656 20 10 DCCDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001474423762 1017017294 /nfs/dbraw/zinc/01/72/94/1017017294.db2.gz BITKSJSPDGQZBY-NSHDSACASA-N 1 0 309.366 0.913 20 10 DCCDRO CN(C)S(=O)(=O)N1CC([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001560956090 1012459531 /nfs/dbraw/zinc/45/95/31/1012459531.db2.gz MJQIXNCPKMKEQX-UHFFFAOYSA-N 1 0 319.814 0.626 20 10 DCCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]([NH3+])CO)cc1 ZINC001521554985 1017396564 /nfs/dbraw/zinc/39/65/64/1017396564.db2.gz MJZWKDXMAQUHMS-JKSUJKDBSA-N 1 0 321.421 0.580 20 10 DCCDRO C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CC[NH+](C)CC1 ZINC000272465511 130033012 /nfs/dbraw/zinc/03/30/12/130033012.db2.gz OZPGCWBCGFWGPM-BPJJOFIESA-N 1 0 319.405 0.863 20 10 DCCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072629590 396133259 /nfs/dbraw/zinc/13/32/59/396133259.db2.gz FCACCQGZBVWDPB-ZDUSSCGKSA-N 1 0 306.322 0.990 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000120225456 415760347 /nfs/dbraw/zinc/76/03/47/415760347.db2.gz QHCLWJVEYOLCKN-CQSZACIVSA-N 1 0 319.405 0.761 20 10 DCCDRO COc1c(O)c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000282190102 277790929 /nfs/dbraw/zinc/79/09/29/277790929.db2.gz GFAXOIDKKYJVPX-GZMMTYOYSA-N 1 0 309.322 0.923 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000264742887 522196557 /nfs/dbraw/zinc/19/65/57/522196557.db2.gz PHPCSDKJXLOQTH-MRXNPFEDSA-N 1 0 319.453 0.798 20 10 DCCDRO COc1cc(C)cc(C[N@H+](CCO)CCN2CCOCC2)c1O ZINC000893966512 661421685 /nfs/dbraw/zinc/42/16/85/661421685.db2.gz BULOIGWOPXTRBK-UHFFFAOYSA-N 1 0 324.421 0.836 20 10 DCCDRO COc1ccc(C[NH2+]CCN2CCC(O)CC2)c(O)c1OC ZINC000894758095 662000346 /nfs/dbraw/zinc/00/03/46/662000346.db2.gz HOZWRKKWEFJXGB-UHFFFAOYSA-N 1 0 310.394 0.956 20 10 DCCDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895323419 662169050 /nfs/dbraw/zinc/16/90/50/662169050.db2.gz CLWWBHLBAOMGSB-MSOLQXFVSA-N 1 0 320.433 0.965 20 10 DCCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895337569 662171385 /nfs/dbraw/zinc/17/13/85/662171385.db2.gz ILDVGWKCKBARAE-GXFFZTMASA-N 1 0 311.334 0.830 20 10 DCCDRO Cc1cccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1O ZINC000895789182 662216652 /nfs/dbraw/zinc/21/66/52/662216652.db2.gz MLKCTITWZSUFDU-UHFFFAOYSA-N 1 0 313.361 0.774 20 10 DCCDRO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1c(O)cccc1F ZINC000903591711 663469878 /nfs/dbraw/zinc/46/98/78/663469878.db2.gz SRHXZPIJCUJTJQ-UHFFFAOYSA-N 1 0 317.386 0.550 20 10 DCCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000903968768 663499614 /nfs/dbraw/zinc/49/96/14/663499614.db2.gz NXCRIKZNTAKFCG-AWEZNQCLSA-N 1 0 310.419 0.488 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907275014 663680181 /nfs/dbraw/zinc/68/01/81/663680181.db2.gz UYXXKLRONJLEAG-GFCCVEGCSA-N 1 0 321.421 0.638 20 10 DCCDRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922154092 666270425 /nfs/dbraw/zinc/27/04/25/666270425.db2.gz RKQJADVVLDBSDS-OAHLLOKOSA-N 1 0 311.403 0.651 20 10 DCCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1 ZINC000922822916 666535472 /nfs/dbraw/zinc/53/54/72/666535472.db2.gz KEBSBSLSXKQSDC-MBVDDHJVSA-N 1 0 312.435 0.761 20 10 DCCDRO [NH3+]Cc1cc(=O)[nH]c(CNCc2cc3c(cc2O)OCO3)n1 ZINC000863648664 667166740 /nfs/dbraw/zinc/16/67/40/667166740.db2.gz CWQKNZPAJHPYAR-UHFFFAOYSA-N 1 0 304.306 0.365 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000866459565 667376704 /nfs/dbraw/zinc/37/67/04/667376704.db2.gz ZGBLQZAAMLIZAT-SNVBAGLBSA-N 1 0 302.396 0.991 20 10 DCCDRO [NH3+]C[C@@]1(CO)COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000923426890 667531220 /nfs/dbraw/zinc/53/12/20/667531220.db2.gz OPPWFBQSOHYAOC-QGZVFWFLSA-N 1 0 321.421 0.045 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C[NH3+])OC)C2)cc1 ZINC000884368667 667532647 /nfs/dbraw/zinc/53/26/47/667532647.db2.gz FEMJGFNVTVPNMN-WFASDCNBSA-N 1 0 307.394 0.611 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1OC ZINC000872713373 667932344 /nfs/dbraw/zinc/93/23/44/667932344.db2.gz CBRPPKOFLMUDCN-PHIMTYICSA-N 1 0 320.345 0.456 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]3O)cc2)CC1 ZINC000889660686 667981656 /nfs/dbraw/zinc/98/16/56/667981656.db2.gz FSNJXWHCZHVOSQ-HZPDHXFCSA-N 1 0 318.421 0.761 20 10 DCCDRO COc1cccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1O ZINC000764102680 668435048 /nfs/dbraw/zinc/43/50/48/668435048.db2.gz UFPUMKMWSVIUJT-CYBMUJFWSA-N 1 0 305.378 0.407 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1 ZINC000927026610 668445007 /nfs/dbraw/zinc/44/50/07/668445007.db2.gz QRGOSVVOCIFJLR-VHSXEESVSA-N 1 0 303.380 0.457 20 10 DCCDRO CC[C@@H](NC(C)=O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506880 668457784 /nfs/dbraw/zinc/45/77/84/668457784.db2.gz PTOXQSFAOCYNRH-LSDHHAIUSA-N 1 0 306.410 0.783 20 10 DCCDRO OCCC[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876723554 668495919 /nfs/dbraw/zinc/49/59/19/668495919.db2.gz DWCRURKLARKWLI-UHFFFAOYSA-N 1 0 308.422 0.824 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)cc1F ZINC000876782504 668510503 /nfs/dbraw/zinc/51/05/03/668510503.db2.gz QIDMAOPWCJSPOS-DZGCQCFKSA-N 1 0 323.368 0.599 20 10 DCCDRO COCC1(O)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768466309 668610704 /nfs/dbraw/zinc/61/07/04/668610704.db2.gz YLJVSFKYJRKOGW-CQSZACIVSA-N 1 0 309.362 0.791 20 10 DCCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877420585 668617479 /nfs/dbraw/zinc/61/74/79/668617479.db2.gz XTMOHOQDEWLVAD-RDJZCZTQSA-N 1 0 306.406 0.575 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)[C@@H](O)C1)cc2=O ZINC000768766981 668620239 /nfs/dbraw/zinc/62/02/39/668620239.db2.gz LKUYIRAELSVCQI-SKDRFNHKSA-N 1 0 320.349 0.424 20 10 DCCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000877522263 668626066 /nfs/dbraw/zinc/62/60/66/668626066.db2.gz MZJOVVRTSXPKNE-UHFFFAOYSA-N 1 0 316.365 0.032 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000776173635 668872056 /nfs/dbraw/zinc/87/20/56/668872056.db2.gz BCAYSAAGYRVODX-UHFFFAOYSA-N 1 0 314.407 0.916 20 10 DCCDRO CN1C(=O)C(=CNNc2cc(Cl)cc[nH+]2)C(=O)N(C)C1=O ZINC000777872857 668892499 /nfs/dbraw/zinc/89/24/99/668892499.db2.gz ZNTXDZVMEDRNTF-UHFFFAOYSA-N 1 0 309.713 0.586 20 10 DCCDRO CCOc1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c(O)c1 ZINC000778210628 668895191 /nfs/dbraw/zinc/89/51/91/668895191.db2.gz QHKZAYSEXXRFIX-UHFFFAOYSA-N 1 0 314.407 0.772 20 10 DCCDRO CN(C)c1ccc(CNC(=O)Cn2cc(CC[NH3+])nn2)cc1 ZINC000881093710 669297354 /nfs/dbraw/zinc/29/73/54/669297354.db2.gz GROFKKKXSHFSQE-UHFFFAOYSA-N 1 0 302.382 0.162 20 10 DCCDRO CC[N@H+](CCC(N)=O)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000932480880 669372163 /nfs/dbraw/zinc/37/21/63/669372163.db2.gz NBHPTZQTKBHZDM-UHFFFAOYSA-N 1 0 306.410 0.566 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3COCCO3)cc2)CC1 ZINC000881849465 669398420 /nfs/dbraw/zinc/39/84/20/669398420.db2.gz DKZOUYOAHOIOJQ-MRXNPFEDSA-N 1 0 319.405 0.470 20 10 DCCDRO Cc1ccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c(O)c1O ZINC000854643978 670603939 /nfs/dbraw/zinc/60/39/39/670603939.db2.gz CULPSTZWIRUZRQ-UHFFFAOYSA-N 1 0 319.405 0.726 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000817919802 670952647 /nfs/dbraw/zinc/95/26/47/670952647.db2.gz YNYMEDSYBSIGFD-ZDUSSCGKSA-N 1 0 318.421 0.531 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000817917743 670952962 /nfs/dbraw/zinc/95/29/62/670952962.db2.gz FBGKDMIJTMJKIJ-CQSZACIVSA-N 1 0 318.421 0.661 20 10 DCCDRO CCOC(=O)[C@@H]1NCC[C@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944366 670955546 /nfs/dbraw/zinc/95/55/46/670955546.db2.gz ZXBWKEQRXFIZLM-BZUAXINKSA-N 1 0 320.437 0.636 20 10 DCCDRO [NH3+]C/C=C/CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851665777 671008045 /nfs/dbraw/zinc/00/80/45/671008045.db2.gz DCWCYJOXTPTEAR-OWOJBTEDSA-N 1 0 318.421 0.962 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851679693 671011150 /nfs/dbraw/zinc/01/11/50/671011150.db2.gz CQAIEBJWLWMEGL-UHFFFAOYSA-N 1 0 317.349 0.688 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000819078795 671092211 /nfs/dbraw/zinc/09/22/11/671092211.db2.gz ZNUMYYZFLIIJNE-QGZVFWFLSA-N 1 0 307.438 0.844 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCO[C@H]3C[NH3+])C2)cc1 ZINC000852900437 671190690 /nfs/dbraw/zinc/19/06/90/671190690.db2.gz LTVSAWXMIVUWHF-RCBQFDQVSA-N 1 0 319.405 0.754 20 10 DCCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2)C1 ZINC000827468994 671528872 /nfs/dbraw/zinc/52/88/72/671528872.db2.gz JAMRTSCKJDEVKE-DZGCQCFKSA-N 1 0 316.405 0.366 20 10 DCCDRO O=C(CCOC1C[NH2+]C1)NCc1ccc(N2CCOCC2)cc1 ZINC000827567568 671531870 /nfs/dbraw/zinc/53/18/70/671531870.db2.gz PUUOFHGTMPPMRN-UHFFFAOYSA-N 1 0 319.405 0.518 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000832300215 671713896 /nfs/dbraw/zinc/71/38/96/671713896.db2.gz OUKWGYDUGZKXIR-ZDUSSCGKSA-N 1 0 315.377 0.609 20 10 DCCDRO Nc1ccc(CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000841791203 671956333 /nfs/dbraw/zinc/95/63/33/671956333.db2.gz PJTDQVGSCDBHLT-JKSUJKDBSA-N 1 0 318.421 0.974 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000841919619 671966054 /nfs/dbraw/zinc/96/60/54/671966054.db2.gz DCFPGRYTEKDINU-GFCCVEGCSA-N 1 0 322.409 0.666 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842202149 671994125 /nfs/dbraw/zinc/99/41/25/671994125.db2.gz DSWFGFWYYQASCN-OCCSQVGLSA-N 1 0 318.421 0.798 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000842225253 671997137 /nfs/dbraw/zinc/99/71/37/671997137.db2.gz HLVWQZIDSCWLKM-HNNXBMFYSA-N 1 0 318.421 0.565 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccn(C)n2)cc1 ZINC000842786121 672037475 /nfs/dbraw/zinc/03/74/75/672037475.db2.gz UFXDLNWICBDJJH-ZDUSSCGKSA-N 1 0 323.422 0.464 20 10 DCCDRO O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000843065790 672058333 /nfs/dbraw/zinc/05/83/33/672058333.db2.gz PTTSTWVPJHSCIF-AWEZNQCLSA-N 1 0 307.369 0.928 20 10 DCCDRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000844220682 672164894 /nfs/dbraw/zinc/16/48/94/672164894.db2.gz JPEYUNZDSPJDPA-BBRMVZONSA-N 1 0 320.437 0.417 20 10 DCCDRO CCOc1cccc(CN2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846010568 672289329 /nfs/dbraw/zinc/28/93/29/672289329.db2.gz FIDATKBGUDOTTM-UHFFFAOYSA-N 1 0 321.421 0.997 20 10 DCCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(O)CC[NH2+]CC1 ZINC001577939935 1164853969 /nfs/dbraw/zinc/85/39/69/1164853969.db2.gz WDNYMZSVNQVLAI-UHFFFAOYSA-N 1 0 313.394 0.999 20 10 DCCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001617203178 1171386469 /nfs/dbraw/zinc/38/64/69/1171386469.db2.gz YDZORGIAMOGHII-ZDUSSCGKSA-N 1 0 318.381 0.825 20 10 DCCDRO COc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c(O)c1 ZINC001621283279 1171408989 /nfs/dbraw/zinc/40/89/89/1171408989.db2.gz OSQBARPLSISGGT-UHFFFAOYSA-N 1 0 312.347 0.931 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[NH+](C)C)cc1 ZINC001637004705 1171755575 /nfs/dbraw/zinc/75/55/75/1171755575.db2.gz MGEJQOBZKLUDSN-QLFBSQMISA-N 1 0 318.421 0.593 20 10 DCCDRO C[C@H](C[NH2+]CCO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001714877008 1181582196 /nfs/dbraw/zinc/58/21/96/1181582196.db2.gz JJTXENWOZLEUJI-SNVBAGLBSA-N 1 0 307.354 0.891 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)OC)cc1C ZINC001725691407 1184944791 /nfs/dbraw/zinc/94/47/91/1184944791.db2.gz ZZSOPKPGUSYTIH-HIFRSBDPSA-N 1 0 324.421 0.947 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)cc1C ZINC001754224957 1188791965 /nfs/dbraw/zinc/79/19/65/1188791965.db2.gz DNTYMFUMHGRWJS-GFCCVEGCSA-N 1 0 318.381 0.285 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CN(C)CCO2)cc1C ZINC001125219812 751842714 /nfs/dbraw/zinc/84/27/14/751842714.db2.gz CEPDMANDNGEQRM-MRXNPFEDSA-N 1 0 321.421 0.540 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)NC(N)=O)cc1C ZINC001126195078 748300087 /nfs/dbraw/zinc/30/00/87/748300087.db2.gz NRBAVIFIDLGRHM-NSHDSACASA-N 1 0 308.382 0.266 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)C(N)=O)cc1C ZINC001129926617 763051460 /nfs/dbraw/zinc/05/14/60/763051460.db2.gz CGYYXAKAHCSAIZ-UHFFFAOYSA-N 1 0 307.394 0.721 20 10 DCCDRO COCC(=O)NCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001118139759 766234411 /nfs/dbraw/zinc/23/44/11/766234411.db2.gz VJOOCUOKSZRENP-CQSZACIVSA-N 1 0 322.409 0.021 20 10 DCCDRO O=C(CN1C(=O)CSC1=S)NCC12CC[NH+](CC1)CC2 ZINC001144848254 767064708 /nfs/dbraw/zinc/06/47/08/767064708.db2.gz IVSXGDRCACEYBG-UHFFFAOYSA-N 1 0 313.448 0.449 20 10 DCCDRO C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C[C@H](O)CO ZINC001138339961 768409565 /nfs/dbraw/zinc/40/95/65/768409565.db2.gz LOEAZGGYZASAQB-AWEZNQCLSA-N 1 0 306.406 0.876 20 10 DCCDRO COc1cc(CN2CC(=O)N[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253052 768463401 /nfs/dbraw/zinc/46/34/01/768463401.db2.gz JYVRUCDHYZDRCO-NSHDSACASA-N 1 0 307.394 0.783 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)cc2)CC1 ZINC001139408223 768472282 /nfs/dbraw/zinc/47/22/82/768472282.db2.gz JQKOOKNVNRQAKN-SJLPKXTDSA-N 1 0 319.449 0.614 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140055470 768511068 /nfs/dbraw/zinc/51/10/68/768511068.db2.gz FWWDPFPCKXPVDV-MRXNPFEDSA-N 1 0 321.352 0.454 20 10 DCCDRO O=C1CN(Cc2ccc(N3CCOCC3)cc2F)CCCN1 ZINC001140660549 768538690 /nfs/dbraw/zinc/53/86/90/768538690.db2.gz VRQTVBVRZDRSOB-UHFFFAOYSA-N 1 0 307.369 0.984 20 10 DCCDRO Cc1c(O)ccc(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)c1O ZINC001140747377 768544861 /nfs/dbraw/zinc/54/48/61/768544861.db2.gz AUCCCRAKFVJSIY-UHFFFAOYSA-N 1 0 307.394 0.788 20 10 DCCDRO COc1cc(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)c(O)cc1O ZINC001231637136 769271221 /nfs/dbraw/zinc/27/12/21/769271221.db2.gz FWLRXVOGGYUSSK-UHFFFAOYSA-N 1 0 323.393 0.488 20 10 DCCDRO CN(C)c1ccc(C[NH+]2CCN(c3ncncn3)CC2)c(O)c1 ZINC001232841610 769337339 /nfs/dbraw/zinc/33/73/39/769337339.db2.gz LSHLTKZHSASHFZ-UHFFFAOYSA-N 1 0 314.393 0.965 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)C[C@@H]1C(=O)OC ZINC001173567459 769661464 /nfs/dbraw/zinc/66/14/64/769661464.db2.gz FFTQIJOIVAYOEU-UOJUARBOSA-N 1 0 323.345 0.928 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001177664173 770520197 /nfs/dbraw/zinc/52/01/97/770520197.db2.gz MCAPAEHLRXMANX-UHFFFAOYSA-N 1 0 303.403 0.921 20 10 DCCDRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC001178730717 770847933 /nfs/dbraw/zinc/84/79/33/770847933.db2.gz GNYSAGRXZPAYBU-LBPRGKRZSA-N 1 0 305.783 0.685 20 10 DCCDRO O=C(c1cc2cc(O)c(O)cc2oc1=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158235938 771744100 /nfs/dbraw/zinc/74/41/00/771744100.db2.gz UTUNIISJVBGECJ-WDEREUQCSA-N 1 0 316.313 0.781 20 10 DCCDRO COc1cccc(CN2CC(N3CCN(C)C(=O)C3)C2)c1O ZINC001203596527 771821349 /nfs/dbraw/zinc/82/13/49/771821349.db2.gz HDQAOAFQBLJVBW-UHFFFAOYSA-N 1 0 305.378 0.359 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1O ZINC001203634777 772017873 /nfs/dbraw/zinc/01/78/73/772017873.db2.gz UVDFZHCHRNPXDO-ZDUSSCGKSA-N 1 0 322.361 0.654 20 10 DCCDRO [NH3+]C1CCN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)CC1 ZINC001160524677 772057935 /nfs/dbraw/zinc/05/79/35/772057935.db2.gz PIHMMYFSKBVHGA-UHFFFAOYSA-N 1 0 304.302 0.768 20 10 DCCDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)Cc1ccc(N)cc1)CC2 ZINC001161479355 772230779 /nfs/dbraw/zinc/23/07/79/772230779.db2.gz KGZFYVXBTFZBRC-WMLDXEAASA-N 1 0 317.389 0.565 20 10 DCCDRO O=C(c1c(F)ccc(O)c1O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001161883449 772294844 /nfs/dbraw/zinc/29/48/44/772294844.db2.gz BXIZJYNIUBIYKB-NWDGAFQWSA-N 1 0 324.352 0.908 20 10 DCCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000400226220 774024022 /nfs/dbraw/zinc/02/40/22/774024022.db2.gz YKGMONPNELQPBL-NSHDSACASA-N 1 0 300.380 0.524 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(=O)[O-])cc2)CC1 ZINC001610956346 970806966 /nfs/dbraw/zinc/80/69/66/970806966.db2.gz WBENCBAHIWBMBJ-MRXNPFEDSA-N 1 0 307.394 0.364 20 10 DCCDRO C[NH+](C)CCN1CC2(CN(Cc3ccccc3O)C2)OCC1=O ZINC001272618500 942871054 /nfs/dbraw/zinc/87/10/54/942871054.db2.gz JSNYCSPQKMOXEM-UHFFFAOYSA-N 1 0 319.405 0.367 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c1 ZINC001272637568 942877602 /nfs/dbraw/zinc/87/76/02/942877602.db2.gz LRWIKHRSOACKFA-INIZCTEOSA-N 1 0 306.362 0.834 20 10 DCCDRO NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001277408149 944808751 /nfs/dbraw/zinc/80/87/51/944808751.db2.gz LRSHKAKGDOGIAM-RHSMWYFYSA-N 1 0 301.390 0.830 20 10 DCCDRO COc1ccc(C[N@H+]2C[C@@H]3C(C(=O)N(C)C)=NO[C@@H]3C2)c(O)c1 ZINC001277456233 944825216 /nfs/dbraw/zinc/82/52/16/944825216.db2.gz CSBVDFDFGJOXKU-GXTWGEPZSA-N 1 0 319.361 0.676 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001249178961 945623199 /nfs/dbraw/zinc/62/31/99/945623199.db2.gz WXSXWKHREWVZTQ-KGLIPLIRSA-N 1 0 309.362 0.283 20 10 DCCDRO COC(=O)Cc1ccc(C[N@H+]2CCc3nncn3CC2)c(O)c1 ZINC001249178336 945623384 /nfs/dbraw/zinc/62/33/84/945623384.db2.gz QKCRLHSQMKZXIQ-UHFFFAOYSA-N 1 0 316.361 0.758 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](O)(C(=O)[O-])C3)cc2)CC1 ZINC001262157907 947588019 /nfs/dbraw/zinc/58/80/19/947588019.db2.gz RUCUHBDYYYCQSW-QGZVFWFLSA-N 1 0 319.405 0.460 20 10 DCCDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001325393699 947778732 /nfs/dbraw/zinc/77/87/32/947778732.db2.gz NOJABRXAJPTQKK-LBPRGKRZSA-N 1 0 306.410 0.483 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C2)cc1 ZINC001263154225 947814855 /nfs/dbraw/zinc/81/48/55/947814855.db2.gz LYTKLZDUJZHJAO-SMDDNHRTSA-N 1 0 307.394 0.488 20 10 DCCDRO COc1cc(C)c(C[NH2+]CCS(=O)(=O)NC2CC2)c(O)c1 ZINC001462649078 1013080014 /nfs/dbraw/zinc/08/00/14/1013080014.db2.gz BNLWVZRQHSEUQV-UHFFFAOYSA-N 1 0 314.407 0.881 20 10 DCCDRO C[N@@H+]1CCCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179689069 947888908 /nfs/dbraw/zinc/88/89/08/947888908.db2.gz BOXMWZNWCMBPFG-GQCTYLIASA-N 1 0 319.405 0.865 20 10 DCCDRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(N)cc2)cn1 ZINC001326858158 948303671 /nfs/dbraw/zinc/30/36/71/948303671.db2.gz IAEPBRWPPLTJIQ-UHFFFAOYSA-N 1 0 316.365 0.604 20 10 DCCDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[N@@H+]1C ZINC001330185923 950172449 /nfs/dbraw/zinc/17/24/49/950172449.db2.gz ZXHDYFOBMAHDQG-AAEUAGOBSA-N 1 0 317.389 0.833 20 10 DCCDRO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001331568088 951174563 /nfs/dbraw/zinc/17/45/63/951174563.db2.gz FJDGNVIMBMNLMQ-HNNXBMFYSA-N 1 0 318.421 0.579 20 10 DCCDRO CN(C)C(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H](C1)O2 ZINC001275267395 952038504 /nfs/dbraw/zinc/03/85/04/952038504.db2.gz MZQLQNHCJHMOJV-GASCZTMLSA-N 1 0 319.405 0.365 20 10 DCCDRO COCCOCN1CC2(C1)C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275419477 952132947 /nfs/dbraw/zinc/13/29/47/952132947.db2.gz ZWRLOUSKKQDGGW-UHFFFAOYSA-N 1 0 308.378 0.836 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2Cc1cc(O)ccc1O ZINC001275418946 952134938 /nfs/dbraw/zinc/13/49/38/952134938.db2.gz NAORDMABGGJQDM-GASCZTMLSA-N 1 0 321.421 0.544 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)c(O)c1OC ZINC001334201099 952259716 /nfs/dbraw/zinc/25/97/16/952259716.db2.gz QBFXKMGAUMQFBQ-GFCCVEGCSA-N 1 0 307.350 0.966 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001336942171 952787089 /nfs/dbraw/zinc/78/70/89/952787089.db2.gz NCLYOCBOPMJDGA-UHFFFAOYSA-N 1 0 306.410 0.957 20 10 DCCDRO COc1cc(C[N@H+](C)CCNS(C)(=O)=O)c(O)cc1C ZINC001337001524 952795120 /nfs/dbraw/zinc/79/51/20/952795120.db2.gz UMKOKCNFGZCACO-UHFFFAOYSA-N 1 0 302.396 0.690 20 10 DCCDRO Nc1ccc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001345160126 953602565 /nfs/dbraw/zinc/60/25/65/953602565.db2.gz RNRJJFUAZHFGRK-UHFFFAOYSA-N 1 0 303.410 0.412 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001346737450 953951712 /nfs/dbraw/zinc/95/17/12/953951712.db2.gz ZMOVWSIWAVDPJO-MBNYWOFBSA-N 1 0 319.405 0.533 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001348838010 954493203 /nfs/dbraw/zinc/49/32/03/954493203.db2.gz QUNZXPOALIZDBC-CWRNSKLLSA-N 1 0 301.390 0.747 20 10 DCCDRO Nc1ccc(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1 ZINC001524149932 1014873764 /nfs/dbraw/zinc/87/37/64/1014873764.db2.gz JZAMLTJRJPXSSP-DOTOQJQBSA-N 1 0 319.405 0.153 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC(N)=O)cc1C ZINC001507055247 1015929850 /nfs/dbraw/zinc/92/98/50/1015929850.db2.gz KBVWOKAWYQAFME-GFCCVEGCSA-N 1 0 307.394 0.816 20 10 DCCDRO C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1C[N@H+](C)CCN1C ZINC001544139606 1012535763 /nfs/dbraw/zinc/53/57/63/1012535763.db2.gz SMZSYZBQRLQSIM-WCQYABFASA-N 1 0 307.394 0.391 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001493770522 1019696939 /nfs/dbraw/zinc/69/69/39/1019696939.db2.gz YRZLOYLOSWEFQJ-AWEZNQCLSA-N 1 0 319.405 0.830 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN(C)[C@@H]2COC[C@H]2O)cc1 ZINC000285660033 131191186 /nfs/dbraw/zinc/19/11/86/131191186.db2.gz SXCWQSIOURRHOD-HUUCEWRRSA-N 1 0 307.394 0.060 20 10 DCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092068281 395729104 /nfs/dbraw/zinc/72/91/04/395729104.db2.gz ZOWFKLRQRBYXIY-NSHDSACASA-N 1 0 300.380 0.524 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CC1=O ZINC000269110917 396386337 /nfs/dbraw/zinc/38/63/37/396386337.db2.gz RDNBLCYLZWTYCE-GFCCVEGCSA-N 1 0 321.377 0.124 20 10 DCCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000578173438 397400568 /nfs/dbraw/zinc/40/05/68/397400568.db2.gz ULAWXALFWHKXNX-HOTGVXAUSA-N 1 0 316.405 0.961 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H](C[NH3+])OC)CC2)cc1F ZINC000290267097 415781004 /nfs/dbraw/zinc/78/10/04/415781004.db2.gz YBRJXVHZFISOBL-AWEZNQCLSA-N 1 0 311.357 0.457 20 10 DCCDRO COCC[NH2+]CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000237158469 416328203 /nfs/dbraw/zinc/32/82/03/416328203.db2.gz DFALIZFMYCMECG-UHFFFAOYSA-N 1 0 321.421 0.970 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2cncn2)[NH+](C)C)cc1 ZINC000891251584 658087240 /nfs/dbraw/zinc/08/72/40/658087240.db2.gz BXQUJFYGCOXFLC-HNNXBMFYSA-N 1 0 316.409 0.763 20 10 DCCDRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891258548 658096795 /nfs/dbraw/zinc/09/67/95/658096795.db2.gz TYQJHGULOIRGGR-LRDDRELGSA-N 1 0 320.437 0.996 20 10 DCCDRO CC(=O)N[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891258547 658097572 /nfs/dbraw/zinc/09/75/72/658097572.db2.gz TYQJHGULOIRGGR-BLLLJJGKSA-N 1 0 320.437 0.996 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894230648 661696845 /nfs/dbraw/zinc/69/68/45/661696845.db2.gz SWJQJWWHKYFCRQ-UHFFFAOYSA-N 1 0 302.396 0.738 20 10 DCCDRO [NH3+]C[C@@H]1CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000841856674 661920249 /nfs/dbraw/zinc/92/02/49/661920249.db2.gz JZDDLWGTHCOPRJ-SNVBAGLBSA-N 1 0 316.452 0.994 20 10 DCCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)c(O)c1 ZINC000896315376 662260127 /nfs/dbraw/zinc/26/01/27/662260127.db2.gz SVLGUVHEIZENFI-UHFFFAOYSA-N 1 0 320.436 0.848 20 10 DCCDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1C ZINC000903968894 663499465 /nfs/dbraw/zinc/49/94/65/663499465.db2.gz PUZJIEZWKLJCIT-AWEZNQCLSA-N 1 0 312.435 0.875 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907274977 663680075 /nfs/dbraw/zinc/68/00/75/663680075.db2.gz SVPWRAHEFMZJOO-SJCJKPOMSA-N 1 0 322.405 0.992 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206336 663743644 /nfs/dbraw/zinc/74/36/44/663743644.db2.gz ZLPLFSFZJRECJY-DIECRNLCSA-N 1 0 306.362 0.684 20 10 DCCDRO O=C(NCc1ccc(O)cc1O)C1C[NH+](C2CCOCC2)C1 ZINC000910944200 663960807 /nfs/dbraw/zinc/96/08/07/663960807.db2.gz UGJIIWQPXLQVAN-UHFFFAOYSA-N 1 0 306.362 0.825 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000910991517 663966427 /nfs/dbraw/zinc/96/64/27/663966427.db2.gz HGNCNSPTPJPPQL-OCCSQVGLSA-N 1 0 318.421 0.341 20 10 DCCDRO O=C(NCc1c(O)cccc1F)NC1CC[NH+](CCO)CC1 ZINC000917836076 665145686 /nfs/dbraw/zinc/14/56/86/665145686.db2.gz BVPIUHIPZNJJOT-UHFFFAOYSA-N 1 0 311.357 0.787 20 10 DCCDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc(Cl)ccc1O ZINC000922535927 666477647 /nfs/dbraw/zinc/47/76/47/666477647.db2.gz OCKQMKHCNRUFTI-AWEZNQCLSA-N 1 0 300.786 0.828 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(CO)COCCN2C)c1 ZINC000922536298 666477720 /nfs/dbraw/zinc/47/77/20/666477720.db2.gz UCSCVECQHBSDFU-MRXNPFEDSA-N 1 0 310.394 0.574 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CS(C)(=O)=O)cc1F ZINC000922823186 666535667 /nfs/dbraw/zinc/53/56/67/666535667.db2.gz PXANRWMIKUAHLA-NSHDSACASA-N 1 0 304.387 0.387 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000863524609 667153793 /nfs/dbraw/zinc/15/37/93/667153793.db2.gz FFNQUUOEWVMIPN-HNNXBMFYSA-N 1 0 306.410 0.618 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884531855 667562201 /nfs/dbraw/zinc/56/22/01/667562201.db2.gz WUIZJSJDPSQKLQ-TZMCWYRMSA-N 1 0 318.421 0.625 20 10 DCCDRO CN1CCCc2cc(CNS(=O)(=O)N3CC[NH2+]CC3)ccc21 ZINC000923602956 667619791 /nfs/dbraw/zinc/61/97/91/667619791.db2.gz UUJVLZNAPQNTEC-UHFFFAOYSA-N 1 0 324.450 0.309 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C(=O)N[C@@H](C)C2=O)c1 ZINC000838914014 667717422 /nfs/dbraw/zinc/71/74/22/667717422.db2.gz YGLXBYVELJWVLL-UWVGGRQHSA-N 1 0 307.350 0.992 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)CCO)CC2)cc1 ZINC000754007646 668040143 /nfs/dbraw/zinc/04/01/43/668040143.db2.gz AKRIZQGGLDMPSJ-INIZCTEOSA-N 1 0 323.437 0.102 20 10 DCCDRO CNC(=O)[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000839545958 668117318 /nfs/dbraw/zinc/11/73/18/668117318.db2.gz ZZHGMHNXZVBCNF-INIZCTEOSA-N 1 0 320.437 0.729 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)CCN(C)C2=O)cc1 ZINC000876505722 668457450 /nfs/dbraw/zinc/45/74/50/668457450.db2.gz ATTMRZIIYBUIPN-RHSMWYFYSA-N 1 0 318.421 0.737 20 10 DCCDRO COC[C@@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)C[NH2+]CCO1 ZINC000876873280 668524905 /nfs/dbraw/zinc/52/49/05/668524905.db2.gz AVFQVSRLJGDBFH-QGZVFWFLSA-N 1 0 321.421 0.716 20 10 DCCDRO O=C(CN1CC[NH2+]CC1)NCc1c(O)ccc2c1CCCC2 ZINC000876884371 668527762 /nfs/dbraw/zinc/52/77/62/668527762.db2.gz HGZFKKVALRWIDV-UHFFFAOYSA-N 1 0 303.406 0.792 20 10 DCCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000877022555 668553621 /nfs/dbraw/zinc/55/36/21/668553621.db2.gz YOWQVCFFZRVXCX-UHFFFAOYSA-N 1 0 314.407 0.452 20 10 DCCDRO CC[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227732 668578944 /nfs/dbraw/zinc/57/89/44/668578944.db2.gz NTYQEMJDPAYRJS-UHFFFAOYSA-N 1 0 307.394 0.962 20 10 DCCDRO CCOc1ccc(C[N@H+](CCO)CCN2CCOCC2)c(O)c1 ZINC000768926206 668627933 /nfs/dbraw/zinc/62/79/33/668627933.db2.gz ODUXRNUXNAPNLK-UHFFFAOYSA-N 1 0 324.421 0.917 20 10 DCCDRO C[C@@H]([NH2+]CCn1cnnn1)c1ccc(N2CCOCC2)cc1 ZINC000878357556 668717152 /nfs/dbraw/zinc/71/71/52/668717152.db2.gz CRHPAIBCOOHAEG-CYBMUJFWSA-N 1 0 302.382 0.861 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCCNC(=O)C3)cc2)CC1 ZINC000775664283 668866436 /nfs/dbraw/zinc/86/64/36/668866436.db2.gz SEZUJGZDKNAMRU-UHFFFAOYSA-N 1 0 302.422 0.760 20 10 DCCDRO COC[C@@](C)(CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000879161189 668990587 /nfs/dbraw/zinc/99/05/87/668990587.db2.gz UWCDMADCXNHFEG-QGZVFWFLSA-N 1 0 323.437 0.698 20 10 DCCDRO COC[C@](C)(CO)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000879164210 668991998 /nfs/dbraw/zinc/99/19/98/668991998.db2.gz YOIXXHDOUBVRHB-INIZCTEOSA-N 1 0 309.410 0.356 20 10 DCCDRO CNC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000781575012 669050515 /nfs/dbraw/zinc/05/05/15/669050515.db2.gz GWFGDOAICJGPMG-OAHLLOKOSA-N 1 0 301.346 0.887 20 10 DCCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000879533715 669057161 /nfs/dbraw/zinc/05/71/61/669057161.db2.gz KBGLNBDBBCZXFB-BETUJISGSA-N 1 0 320.320 0.781 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)NC3CC3)cc2)CC1 ZINC000882663250 669562715 /nfs/dbraw/zinc/56/27/15/669562715.db2.gz SVISJYGKURAOJT-UHFFFAOYSA-N 1 0 324.450 0.525 20 10 DCCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000797414469 669967378 /nfs/dbraw/zinc/96/73/78/669967378.db2.gz AWMSLCSQUABTAR-CZUORRHYSA-N 1 0 306.362 0.776 20 10 DCCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000188537145 670023179 /nfs/dbraw/zinc/02/31/79/670023179.db2.gz WDLAUXKHZHEFJW-UHFFFAOYSA-N 1 0 308.787 0.693 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000807097368 670347516 /nfs/dbraw/zinc/34/75/16/670347516.db2.gz MPHHKFRPVBBGMU-UHFFFAOYSA-N 1 0 320.437 0.697 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848305647 670666154 /nfs/dbraw/zinc/66/61/54/670666154.db2.gz DVLAPWFVPZYLKP-GQYCNYHZSA-N 1 0 304.346 0.388 20 10 DCCDRO CCc1cccc(C[NH2+]CCNS(=O)(=O)NC(C)C)c1O ZINC000848904958 670739943 /nfs/dbraw/zinc/73/99/43/670739943.db2.gz CVLVADBKNOSSOI-UHFFFAOYSA-N 1 0 315.439 0.877 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000817919628 670953003 /nfs/dbraw/zinc/95/30/03/670953003.db2.gz WELMXXZXZYWMDO-UHFFFAOYSA-N 1 0 318.421 0.533 20 10 DCCDRO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000858311521 670992059 /nfs/dbraw/zinc/99/20/59/670992059.db2.gz HXHABXHJNYZFOF-UHFFFAOYSA-N 1 0 319.814 0.626 20 10 DCCDRO COCC[NH2+]CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851640355 671002894 /nfs/dbraw/zinc/00/28/94/671002894.db2.gz UTMPKJXZDRTQOP-CYBMUJFWSA-N 1 0 307.394 0.626 20 10 DCCDRO Nc1ccc(CCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000818545095 671029311 /nfs/dbraw/zinc/02/93/11/671029311.db2.gz HIPVBVKXMSKUMZ-AWEZNQCLSA-N 1 0 314.393 0.757 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C(=O)CN(C)C2=O)c1 ZINC000851900279 671053308 /nfs/dbraw/zinc/05/33/08/671053308.db2.gz QRPJTKVCDJNKGY-JTQLQIEISA-N 1 0 307.350 0.945 20 10 DCCDRO CO[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000852791529 671160617 /nfs/dbraw/zinc/16/06/17/671160617.db2.gz ITXCKYLMWLLIEP-KBMXLJTQSA-N 1 0 321.421 0.920 20 10 DCCDRO CN1CC[C@@H](N2CCC(NC(=O)C3=CC(=O)CS3)CC2)C1=O ZINC000820622864 671214937 /nfs/dbraw/zinc/21/49/37/671214937.db2.gz XSGYZRBPAAGBSG-GFCCVEGCSA-N 1 0 323.418 0.879 20 10 DCCDRO O=C(NCc1ccccc1O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000828016032 671542457 /nfs/dbraw/zinc/54/24/57/671542457.db2.gz RJPGUKXVGADXGT-LBPRGKRZSA-N 1 0 301.350 0.666 20 10 DCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764621 671588675 /nfs/dbraw/zinc/58/86/75/671588675.db2.gz QJRZPCZNSGRMDO-CQSZACIVSA-N 1 0 307.394 0.958 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCNC(=O)C2)cc1 ZINC000832266376 671712652 /nfs/dbraw/zinc/71/26/52/671712652.db2.gz DYYFJBSMPNTGEV-GXTWGEPZSA-N 1 0 304.394 0.395 20 10 DCCDRO Nc1ccc(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000832652762 671730251 /nfs/dbraw/zinc/73/02/51/671730251.db2.gz FISJXRAHPVBKCZ-AWEZNQCLSA-N 1 0 314.393 0.585 20 10 DCCDRO c1cc(N2CCOCC2)ccc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841087673 671912241 /nfs/dbraw/zinc/91/22/41/671912241.db2.gz UZSQSUMRVFFPFL-QGZVFWFLSA-N 1 0 305.422 0.991 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1F ZINC000841762590 671953162 /nfs/dbraw/zinc/95/31/62/671953162.db2.gz YEKKGMIAHBONLK-UHFFFAOYSA-N 1 0 323.416 0.596 20 10 DCCDRO COCC[NH2+]CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759712 671953220 /nfs/dbraw/zinc/95/32/20/671953220.db2.gz HRYRRPGOSUIMSA-UHFFFAOYSA-N 1 0 312.389 0.927 20 10 DCCDRO Nc1ccc(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000841791201 671956275 /nfs/dbraw/zinc/95/62/75/671956275.db2.gz PJTDQVGSCDBHLT-HOTGVXAUSA-N 1 0 318.421 0.974 20 10 DCCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000841955421 671969054 /nfs/dbraw/zinc/96/90/54/671969054.db2.gz BOEVSQUHUJNNLF-INIZCTEOSA-N 1 0 320.437 0.957 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000842034957 671977653 /nfs/dbraw/zinc/97/76/53/671977653.db2.gz AEVFBBYMLNGRCV-LBPRGKRZSA-N 1 0 304.394 0.189 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000842036599 671978173 /nfs/dbraw/zinc/97/81/73/671978173.db2.gz PDVNQHINNZQKMC-CYBMUJFWSA-N 1 0 304.394 0.237 20 10 DCCDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147149 671985952 /nfs/dbraw/zinc/98/59/52/671985952.db2.gz BUCAWTZYDYQNIB-UHFFFAOYSA-N 1 0 324.400 0.576 20 10 DCCDRO CN(CC[NH3+])C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150717 671986226 /nfs/dbraw/zinc/98/62/26/671986226.db2.gz WRAZTVMFYWMAKR-UHFFFAOYSA-N 1 0 304.394 0.102 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000842230696 671997740 /nfs/dbraw/zinc/99/77/40/671997740.db2.gz YCRBMXFZUWTLGM-GFCCVEGCSA-N 1 0 306.410 0.565 20 10 DCCDRO C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000842254679 672000860 /nfs/dbraw/zinc/00/08/60/672000860.db2.gz MOUGEEHVEVDTHF-GFCCVEGCSA-N 1 0 318.421 0.707 20 10 DCCDRO COC[C@@H](C)S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784757 672036635 /nfs/dbraw/zinc/03/66/35/672036635.db2.gz LOBJDFHYUUWXFJ-RISCZKNCSA-N 1 0 315.439 0.707 20 10 DCCDRO COC[C@H](C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784759 672036655 /nfs/dbraw/zinc/03/66/55/672036655.db2.gz LOBJDFHYUUWXFJ-SMDDNHRTSA-N 1 0 315.439 0.707 20 10 DCCDRO Cc1n[nH]cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784441 672036992 /nfs/dbraw/zinc/03/69/92/672036992.db2.gz JTWZKQPSQADFCN-CYBMUJFWSA-N 1 0 323.422 0.762 20 10 DCCDRO COc1c(O)c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843056430 672057155 /nfs/dbraw/zinc/05/71/55/672057155.db2.gz JQOMJYCENIKITH-SKDRFNHKSA-N 1 0 311.338 0.857 20 10 DCCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843433848 672094801 /nfs/dbraw/zinc/09/48/01/672094801.db2.gz FGGUVROAOTXPLD-WDEREUQCSA-N 1 0 309.318 0.477 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844166620 672154881 /nfs/dbraw/zinc/15/48/81/672154881.db2.gz GEEZGIFHUAYIQC-FVQHAEBGSA-N 1 0 315.417 0.947 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000846033688 672290576 /nfs/dbraw/zinc/29/05/76/672290576.db2.gz LUCBJUITMBOLPD-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)cc1C ZINC001037067991 693909817 /nfs/dbraw/zinc/90/98/17/693909817.db2.gz HRZSLILKZCKSBF-KBPBESRZSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)O)C2)cc(OC)n1 ZINC001007792841 690750111 /nfs/dbraw/zinc/75/01/11/690750111.db2.gz QGCWXBXHJLTHCQ-AAEUAGOBSA-N 1 0 323.393 0.674 20 10 DCCDRO COc1ccc(CNS(=O)(=O)C[C@H]2CC[NH2+]C2)c(O)c1 ZINC001574035463 1163627125 /nfs/dbraw/zinc/62/71/25/1163627125.db2.gz UYNSIJNQJNCGSB-JTQLQIEISA-N 1 0 300.380 0.430 20 10 DCCDRO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H](C)C[N@@H+]1CCO ZINC001576780032 1164461405 /nfs/dbraw/zinc/46/14/05/1164461405.db2.gz KWHLYEFBINZUOY-KGLIPLIRSA-N 1 0 320.437 0.908 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001578426886 1165012286 /nfs/dbraw/zinc/01/22/86/1165012286.db2.gz IPRAENZNHMHFPC-BLLLJJGKSA-N 1 0 305.378 0.591 20 10 DCCDRO CCCN(Cc1cn(CC(N)=O)nn1)c1ccc(C[NH3+])cc1 ZINC001659102612 1173929827 /nfs/dbraw/zinc/92/98/27/1173929827.db2.gz WBARJLQUFRMAGY-UHFFFAOYSA-N 1 0 302.382 0.639 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC(N)=O)cc1C ZINC001714381253 1181343488 /nfs/dbraw/zinc/34/34/88/1181343488.db2.gz UAMQRLLDJDYIFW-LLVKDONJSA-N 1 0 307.394 0.721 20 10 DCCDRO C[C@@H](C[NH2+]CCO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001714877006 1181582404 /nfs/dbraw/zinc/58/24/04/1181582404.db2.gz JJTXENWOZLEUJI-JTQLQIEISA-N 1 0 307.354 0.891 20 10 DCCDRO CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCO ZINC001715091141 1181685890 /nfs/dbraw/zinc/68/58/90/1181685890.db2.gz WKVZODRBVMDYQE-NSHDSACASA-N 1 0 307.354 0.939 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CNC(C)=O)cc1C ZINC001715970728 1182124628 /nfs/dbraw/zinc/12/46/28/1182124628.db2.gz VNQHBZQBMDTQMY-LBPRGKRZSA-N 1 0 307.394 0.734 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2COC(=O)N2)cc1C ZINC001732994503 1186094833 /nfs/dbraw/zinc/09/48/33/1186094833.db2.gz JZBUVMIPWBYECB-AAEUAGOBSA-N 1 0 321.377 0.706 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001752900369 1188458462 /nfs/dbraw/zinc/45/84/62/1188458462.db2.gz HQXTZJYSZZKBOR-YUTCNCBUSA-N 1 0 319.405 0.719 20 10 DCCDRO O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001148588114 768021024 /nfs/dbraw/zinc/02/10/24/768021024.db2.gz ONONFPAPJSYIPX-GFCCVEGCSA-N 1 0 322.361 0.740 20 10 DCCDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001118976920 766493597 /nfs/dbraw/zinc/49/35/97/766493597.db2.gz UEUDREKEZQMVSB-GFCCVEGCSA-N 1 0 317.389 0.692 20 10 DCCDRO CC[N@H+](CCNC(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC001119180704 766577597 /nfs/dbraw/zinc/57/75/97/766577597.db2.gz HNUWUZGKZPMJCO-UHFFFAOYSA-N 1 0 317.389 0.835 20 10 DCCDRO CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1[NH3+] ZINC001119611538 766748644 /nfs/dbraw/zinc/74/86/44/766748644.db2.gz UYNNBHHKXAQEAP-ZDUSSCGKSA-N 1 0 303.362 0.430 20 10 DCCDRO CN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162506 768570187 /nfs/dbraw/zinc/57/01/87/768570187.db2.gz VGHUFNMWTJCSGV-CYBMUJFWSA-N 1 0 307.394 0.740 20 10 DCCDRO C[NH+](C)CCN1CC[NH+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231447875 769266348 /nfs/dbraw/zinc/26/63/48/769266348.db2.gz XOHKJVYUZLMVAS-UHFFFAOYSA-N 1 0 307.394 0.770 20 10 DCCDRO COC(=O)[C@H]1CN(C)CCN1Cc1cc(OC)c(O)cc1O ZINC001231639154 769271498 /nfs/dbraw/zinc/27/14/98/769271498.db2.gz DLDVCJXKUXXCOT-LLVKDONJSA-N 1 0 310.350 0.395 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCOC[C@H](O)C3)c(F)c2)CC1 ZINC001236937314 770025593 /nfs/dbraw/zinc/02/55/93/770025593.db2.gz YYZNSVLLNCTCMC-MRXNPFEDSA-N 1 0 323.412 0.771 20 10 DCCDRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160873259 772130210 /nfs/dbraw/zinc/13/02/10/772130210.db2.gz WZTDEQPJUUFABA-AWEZNQCLSA-N 1 0 319.405 0.767 20 10 DCCDRO COc1cc(Br)cc(C[N@H+](C)C[C@@H](O)CO)c1O ZINC001204338362 772945742 /nfs/dbraw/zinc/94/57/42/772945742.db2.gz QLHHASKUJRGBMB-SNVBAGLBSA-N 1 0 320.183 0.948 20 10 DCCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220115578 774697299 /nfs/dbraw/zinc/69/72/99/774697299.db2.gz PMEZMUZANBMAJJ-NZVBXONLSA-N 1 0 322.361 0.229 20 10 DCCDRO NC(=[NH2+])NCCCCC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220489896 774824824 /nfs/dbraw/zinc/82/48/24/774824824.db2.gz LDGKDBSUMKHMCO-UHFFFAOYSA-N 1 0 308.338 0.050 20 10 DCCDRO CNC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001483233100 941989749 /nfs/dbraw/zinc/98/97/49/941989749.db2.gz OAFYOHQYPQKLTB-LBPRGKRZSA-N 1 0 322.409 0.527 20 10 DCCDRO C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@H]21 ZINC001276360192 942101149 /nfs/dbraw/zinc/10/11/49/942101149.db2.gz PZWGJOYSZNBYOI-WBVHZDCISA-N 1 0 323.412 0.978 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cn2cnnn2)cc1C ZINC001491390352 943956445 /nfs/dbraw/zinc/95/64/45/943956445.db2.gz OQOSUXZLYIQQIP-LBPRGKRZSA-N 1 0 318.381 0.285 20 10 DCCDRO C[NH+](C)CCN1CCC12CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001276834025 944319479 /nfs/dbraw/zinc/31/94/79/944319479.db2.gz YIHZJBYLCOTJRJ-UHFFFAOYSA-N 1 0 307.394 0.625 20 10 DCCDRO CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1O ZINC001277441482 944818543 /nfs/dbraw/zinc/81/85/43/944818543.db2.gz LQIZERZDBZADSI-DYVFJYSZSA-N 1 0 317.389 0.561 20 10 DCCDRO CC(C)(CNS(N)(=O)=O)[NH2+]Cc1ccc(Cl)cc1O ZINC001462543577 1013072071 /nfs/dbraw/zinc/07/20/71/1013072071.db2.gz CDYFEKMZOMBVBH-UHFFFAOYSA-N 1 0 307.803 0.707 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1CC[NH3+] ZINC001262162664 947589393 /nfs/dbraw/zinc/58/93/93/947589393.db2.gz VOMSCZHIKOJPGK-VXGBXAGGSA-N 1 0 317.389 0.678 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001326194844 948089132 /nfs/dbraw/zinc/08/91/32/948089132.db2.gz ZCKDPLBYZNYMMK-TZMCWYRMSA-N 1 0 319.405 0.984 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(O)c1OC ZINC001333658244 952126149 /nfs/dbraw/zinc/12/61/49/952126149.db2.gz OSCJIPCYIUENFY-SNVBAGLBSA-N 1 0 315.391 0.934 20 10 DCCDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001335711319 952586881 /nfs/dbraw/zinc/58/68/81/952586881.db2.gz FJXJNUFZOINIQG-SMDDNHRTSA-N 1 0 317.389 0.963 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)C[C@@H](O)C[NH3+])CC2)cc1 ZINC001343394339 953343515 /nfs/dbraw/zinc/34/35/15/953343515.db2.gz LXSNVGGQOMSUET-CQSZACIVSA-N 1 0 307.394 0.444 20 10 DCCDRO CC[NH+]1CCN(C2CN(C(=O)c3ccc(C)c(O)c3O)C2)CC1 ZINC001348455538 954317469 /nfs/dbraw/zinc/31/74/69/954317469.db2.gz UMHFGKUSVZZIHV-UHFFFAOYSA-N 1 0 319.405 0.868 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001350964240 955228812 /nfs/dbraw/zinc/22/88/12/955228812.db2.gz JBJYKOJQWKPZNA-GXTWGEPZSA-N 1 0 317.389 0.419 20 10 DCCDRO COc1cc(O)c(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)cc1OC ZINC001308983296 960187539 /nfs/dbraw/zinc/18/75/39/960187539.db2.gz MYTKEDTYPATTBP-AAEUAGOBSA-N 1 0 311.378 0.832 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001442232637 1009116686 /nfs/dbraw/zinc/11/66/86/1009116686.db2.gz AIVKIUJGLYOPQM-AWEZNQCLSA-N 1 0 320.389 0.821 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000282784862 282295309 /nfs/dbraw/zinc/29/53/09/282295309.db2.gz PQXURVJVHQQYOJ-OCCSQVGLSA-N 1 0 305.378 0.984 20 10 DCCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000053772514 395889101 /nfs/dbraw/zinc/88/91/01/395889101.db2.gz BWKUZDSTIURNBM-LBPRGKRZSA-N 1 0 320.393 0.791 20 10 DCCDRO COCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278138258 396108293 /nfs/dbraw/zinc/10/82/93/396108293.db2.gz AMLPNGOXWNJQJR-UHFFFAOYSA-N 1 0 300.311 0.750 20 10 DCCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)N(C)C)cc1C ZINC000297564199 415964307 /nfs/dbraw/zinc/96/43/07/415964307.db2.gz BICKKLPMRYVEQM-UHFFFAOYSA-N 1 0 301.412 0.495 20 10 DCCDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000298038925 415989845 /nfs/dbraw/zinc/98/98/45/415989845.db2.gz HBAXPRQONMCLNB-UHFFFAOYSA-N 1 0 307.803 0.531 20 10 DCCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(N2CCOCC2)nc1 ZINC000638293833 417411612 /nfs/dbraw/zinc/41/16/12/417411612.db2.gz LRKGMOZJPPJFMT-ZDUSSCGKSA-N 1 0 302.378 0.929 20 10 DCCDRO COCC[N@H+](C)CCNC(=O)NCc1cccc(OC)c1O ZINC000266865158 523591977 /nfs/dbraw/zinc/59/19/77/523591977.db2.gz SUEBBZXSTAPIJS-UHFFFAOYSA-N 1 0 311.382 0.778 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnnn2C)[NH+](C)C)cc1 ZINC000891249852 658084541 /nfs/dbraw/zinc/08/45/41/658084541.db2.gz UDQJYDRUPBWNPY-CQSZACIVSA-N 1 0 316.409 0.914 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(O)CCOC2)[NH+](C)C)cc1 ZINC000891250537 658086402 /nfs/dbraw/zinc/08/64/02/658086402.db2.gz WTKZWFRCCGRZGP-DOTOQJQBSA-N 1 0 321.421 0.623 20 10 DCCDRO COc1ccc(CN2CCO[C@@H](CNC(C)=O)C2)c(O)c1OC ZINC000892056163 658146895 /nfs/dbraw/zinc/14/68/95/658146895.db2.gz QQJBDVCPZBPKTA-ZDUSSCGKSA-N 1 0 324.377 0.746 20 10 DCCDRO COc1cccc(C[NH2+]CCCN(C)S(C)(=O)=O)c1O ZINC000725847926 658787016 /nfs/dbraw/zinc/78/70/16/658787016.db2.gz WUCJMDRDCKWEMQ-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c(O)c1OC ZINC000894987739 662041475 /nfs/dbraw/zinc/04/14/75/662041475.db2.gz PQNAOJDWMMWENX-LLVKDONJSA-N 1 0 319.365 0.891 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897043621 662386703 /nfs/dbraw/zinc/38/67/03/662386703.db2.gz WJFOQPDLLLFFGI-LBPRGKRZSA-N 1 0 320.389 0.864 20 10 DCCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000898359206 662951068 /nfs/dbraw/zinc/95/10/68/662951068.db2.gz NBBCSVGIKNHQCT-AAEUAGOBSA-N 1 0 324.377 0.940 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1O ZINC000927025993 663079606 /nfs/dbraw/zinc/07/96/06/663079606.db2.gz JGVFWNXRIYGGAF-UWVGGRQHSA-N 1 0 303.380 0.457 20 10 DCCDRO C[NH+](C)CCn1cc(C(=O)NCc2ccc(O)cc2O)cn1 ZINC000910943572 663960840 /nfs/dbraw/zinc/96/08/40/663960840.db2.gz DWXFESGBIGDKCJ-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H](N)C(F)F)cc1 ZINC000911667978 664097207 /nfs/dbraw/zinc/09/72/07/664097207.db2.gz VVGQBJGABZENNF-VXGBXAGGSA-N 1 0 300.353 0.851 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861766260 666975994 /nfs/dbraw/zinc/97/59/94/666975994.db2.gz NAMFMHPBRCYWQP-UHFFFAOYSA-N 1 0 318.421 0.710 20 10 DCCDRO Cc1ccc([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c(O)c1 ZINC000866554444 667381207 /nfs/dbraw/zinc/38/12/07/667381207.db2.gz RDYGPZRAIDHWFG-SUMWQHHRSA-N 1 0 320.389 0.979 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000866680664 667386983 /nfs/dbraw/zinc/38/69/83/667386983.db2.gz XMWSQOXHULKTOF-GASCZTMLSA-N 1 0 302.422 0.805 20 10 DCCDRO O=S(=O)(NCc1ccc(N2CCCC2)cc1)N1CC[NH2+]CC1 ZINC000923586112 667575365 /nfs/dbraw/zinc/57/53/65/667575365.db2.gz BFYWKLDMLMHYOC-UHFFFAOYSA-N 1 0 324.450 0.526 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889758030 667992385 /nfs/dbraw/zinc/99/23/85/667992385.db2.gz WNOBYPUZUJJDNC-STQMWFEESA-N 1 0 306.362 0.769 20 10 DCCDRO O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764849270 668464277 /nfs/dbraw/zinc/46/42/77/668464277.db2.gz MXSIVRCDXPHBRA-CYBMUJFWSA-N 1 0 305.378 0.146 20 10 DCCDRO O=C1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1 ZINC000876691591 668489510 /nfs/dbraw/zinc/48/95/10/668489510.db2.gz LUQQONWZGHWWLI-UHFFFAOYSA-N 1 0 303.406 0.970 20 10 DCCDRO C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000876739566 668499539 /nfs/dbraw/zinc/49/95/39/668499539.db2.gz CSXWYIXTFDMTBF-CJNGLKHVSA-N 1 0 320.437 0.589 20 10 DCCDRO CCO[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C[NH+](C)C ZINC000927866007 668520735 /nfs/dbraw/zinc/52/07/35/668520735.db2.gz DMOPDUZWQXWUER-ZDUSSCGKSA-N 1 0 308.382 0.290 20 10 DCCDRO C[NH+](C)C[C@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876872752 668524918 /nfs/dbraw/zinc/52/49/18/668524918.db2.gz LTHSXXYMRSYEBB-GJZGRUSLSA-N 1 0 321.421 0.789 20 10 DCCDRO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000770378944 668690536 /nfs/dbraw/zinc/69/05/36/668690536.db2.gz HSPSHTYTKOXJGB-CQSZACIVSA-N 1 0 304.394 0.766 20 10 DCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1 ZINC000792952658 669693441 /nfs/dbraw/zinc/69/34/41/669693441.db2.gz IYGBWVDHGSNCFQ-CYBMUJFWSA-N 1 0 323.393 0.921 20 10 DCCDRO CCOc1cccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c1O ZINC000189706339 670147715 /nfs/dbraw/zinc/14/77/15/670147715.db2.gz TYNORDSMIDNGDS-UHFFFAOYSA-N 1 0 314.407 0.772 20 10 DCCDRO COc1cccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1O ZINC000858224329 670981577 /nfs/dbraw/zinc/98/15/77/670981577.db2.gz BWJXLAOPWQBIRM-ZDUSSCGKSA-N 1 0 307.394 0.830 20 10 DCCDRO NC(=O)CC[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968814 671081445 /nfs/dbraw/zinc/08/14/45/671081445.db2.gz YFSCQTCEILRFQE-ZDUSSCGKSA-N 1 0 304.394 0.353 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CN2CCOCC2)cc1F ZINC000818984565 671083040 /nfs/dbraw/zinc/08/30/40/671083040.db2.gz CHFJVNWPGWPGIA-CQSZACIVSA-N 1 0 311.401 0.674 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2cn(C)nn2)cc1 ZINC000852791617 671160501 /nfs/dbraw/zinc/16/05/01/671160501.db2.gz KVTURRPIBDBIPH-HNNXBMFYSA-N 1 0 316.409 0.630 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@H](C[NH3+])OC)C2)cc1 ZINC000852843976 671172471 /nfs/dbraw/zinc/17/24/71/671172471.db2.gz LNFMTUKVJRZGMZ-SWLSCSKDSA-N 1 0 307.394 0.754 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000825943097 671475487 /nfs/dbraw/zinc/47/54/87/671475487.db2.gz WTPDMXXCNORVPP-HNNXBMFYSA-N 1 0 318.421 0.579 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000829763922 671588532 /nfs/dbraw/zinc/58/85/32/671588532.db2.gz CPOKXMGJRMMJTF-HNNXBMFYSA-N 1 0 318.421 0.545 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nccnc2N)cc1 ZINC000832293220 671713508 /nfs/dbraw/zinc/71/35/08/671713508.db2.gz RMATXOJFOVZXSP-LBPRGKRZSA-N 1 0 300.366 0.555 20 10 DCCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000832300536 671713753 /nfs/dbraw/zinc/71/37/53/671713753.db2.gz YPYWUJMLGDKSMM-GXFFZTMASA-N 1 0 313.423 0.302 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CNC(=O)C2CC2)cc1 ZINC000832300581 671713807 /nfs/dbraw/zinc/71/38/07/671713807.db2.gz ZPBIRPARRJFCTQ-CQSZACIVSA-N 1 0 304.394 0.395 20 10 DCCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000835046065 671786912 /nfs/dbraw/zinc/78/69/12/671786912.db2.gz RERNNYWMOQBRRF-XGACYXMMSA-N 1 0 302.378 0.986 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000841730513 671952076 /nfs/dbraw/zinc/95/20/76/671952076.db2.gz SPAGJOAFCZSPEM-CQSZACIVSA-N 1 0 304.394 0.684 20 10 DCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841830974 671958071 /nfs/dbraw/zinc/95/80/71/671958071.db2.gz QBIADZVNQPWRJE-OAHLLOKOSA-N 1 0 306.410 0.831 20 10 DCCDRO C[C@H]([NH3+])CNC(=O)C(=O)NCCCSc1nccs1 ZINC000842094300 671982206 /nfs/dbraw/zinc/98/22/06/671982206.db2.gz XEGVCIFELWKHBH-QMMMGPOBSA-N 1 0 302.425 0.205 20 10 DCCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842027544 671976976 /nfs/dbraw/zinc/97/69/76/671976976.db2.gz UFLZIIOTAYWQHK-CYBMUJFWSA-N 1 0 320.437 0.774 20 10 DCCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035743 671977651 /nfs/dbraw/zinc/97/76/51/671977651.db2.gz ICCPHNNJHVZWIT-CQSZACIVSA-N 1 0 320.437 0.858 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000842073445 671980862 /nfs/dbraw/zinc/98/08/62/671980862.db2.gz UQJLBVHNXIBIOQ-QWHCGFSZSA-N 1 0 320.437 0.572 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000842154433 671987004 /nfs/dbraw/zinc/98/70/04/671987004.db2.gz TVXKVTOUZWBUQN-LBPRGKRZSA-N 1 0 306.410 0.483 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCC[NH3+])cc1 ZINC000842222288 671996349 /nfs/dbraw/zinc/99/63/49/671996349.db2.gz GWWUJMHEFNQROJ-UHFFFAOYSA-N 1 0 320.437 0.956 20 10 DCCDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842251747 672000150 /nfs/dbraw/zinc/00/01/50/672000150.db2.gz YQRGYBXMYXTPPH-OAHLLOKOSA-N 1 0 320.437 0.811 20 10 DCCDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC001576780030 1164461629 /nfs/dbraw/zinc/46/16/29/1164461629.db2.gz KWHLYEFBINZUOY-KBPBESRZSA-N 1 0 320.437 0.908 20 10 DCCDRO CN(C)c1ccc(CNC(=O)c2cnnn2C2C[NH2+]C2)cc1 ZINC001578425769 1165011715 /nfs/dbraw/zinc/01/17/15/1165011715.db2.gz LVYFZDLPKVFYBS-UHFFFAOYSA-N 1 0 300.366 0.418 20 10 DCCDRO Cc1ccc(O)c(CNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC001579724324 1165382376 /nfs/dbraw/zinc/38/23/76/1165382376.db2.gz UFFDFNSRQNHRMA-HNNXBMFYSA-N 1 0 307.394 0.806 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3C(=O)[O-])cc2)CC1 ZINC001606245603 1170135908 /nfs/dbraw/zinc/13/59/08/1170135908.db2.gz RJMGQPMDLHLLJB-HZPDHXFCSA-N 1 0 319.405 0.458 20 10 DCCDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001617203171 1171386107 /nfs/dbraw/zinc/38/61/07/1171386107.db2.gz YDZORGIAMOGHII-CYBMUJFWSA-N 1 0 318.381 0.825 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2COCCO2)cc1C ZINC001663824675 1174356683 /nfs/dbraw/zinc/35/66/83/1174356683.db2.gz ISNQMLCVUWUORJ-MRXNPFEDSA-N 1 0 322.405 0.967 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CCn2ccnn2)cc1C ZINC001126281388 748365248 /nfs/dbraw/zinc/36/52/48/748365248.db2.gz IMTURFVOXUJLIH-UHFFFAOYSA-N 1 0 317.393 0.891 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2COC(=O)N2)cc1C ZINC001126554779 749087390 /nfs/dbraw/zinc/08/73/90/749087390.db2.gz SCVMEXPSYVFCMJ-LBPRGKRZSA-N 1 0 307.350 0.318 20 10 DCCDRO CNC(=O)NCCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001126692825 749610795 /nfs/dbraw/zinc/61/07/95/749610795.db2.gz IHDOHUSNLHBZHL-UHFFFAOYSA-N 1 0 322.409 0.529 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@H](C)C2)cc1C ZINC001044727785 752852681 /nfs/dbraw/zinc/85/26/81/752852681.db2.gz IWAOEIQPVDOHHG-OCCSQVGLSA-N 1 0 319.405 0.958 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1C ZINC001048366896 754729132 /nfs/dbraw/zinc/72/91/32/754729132.db2.gz RPRQQPVNMCHSCX-OCCSQVGLSA-N 1 0 319.405 0.673 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](CCO)CC2)cc(OC)n1 ZINC001052527253 759473271 /nfs/dbraw/zinc/47/32/71/759473271.db2.gz VEQFOAJEVSBCIB-ZDUSSCGKSA-N 1 0 323.393 0.675 20 10 DCCDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001148214137 767937538 /nfs/dbraw/zinc/93/75/38/767937538.db2.gz ONSZILUEZBIQNX-UONOGXRCSA-N 1 0 319.405 0.948 20 10 DCCDRO CCOC(=O)[C@H]1NC(=O)c2cc(N(C)C(C)(C)C[NH3+])ccc2O1 ZINC001170059299 761720582 /nfs/dbraw/zinc/72/05/82/761720582.db2.gz GABWZRGSQQVIQE-AWEZNQCLSA-N 1 0 321.377 0.872 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1C ZINC001132362654 764418624 /nfs/dbraw/zinc/41/86/24/764418624.db2.gz JWWNQGQVZQIINZ-KGLIPLIRSA-N 1 0 319.405 0.721 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2c[nH]c(=O)cn2)cc1C ZINC001133009525 764792417 /nfs/dbraw/zinc/79/24/17/764792417.db2.gz ICZWTELHAYQSPM-UHFFFAOYSA-N 1 0 316.361 0.607 20 10 DCCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001119766794 766805361 /nfs/dbraw/zinc/80/53/61/766805361.db2.gz FPSILTFHFZRPGJ-NVXWUHKLSA-N 1 0 306.406 0.698 20 10 DCCDRO CCOC(=O)CN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499236 766959101 /nfs/dbraw/zinc/95/91/01/766959101.db2.gz FKKTUEUBVUGBNQ-UHFFFAOYSA-N 1 0 310.350 0.484 20 10 DCCDRO Oc1cc(O)c(C[NH+]2CCN(c3cnccn3)CC2)c(O)c1 ZINC001144499447 766959415 /nfs/dbraw/zinc/95/94/15/766959415.db2.gz GPNRVNHPKBICQL-UHFFFAOYSA-N 1 0 302.334 0.916 20 10 DCCDRO C[N@H+](Cc1c(O)cc(O)cc1O)C1CCS(=O)(=O)CC1 ZINC001144514674 766964784 /nfs/dbraw/zinc/96/47/84/766964784.db2.gz OMOZOYNLQGNLMA-UHFFFAOYSA-N 1 0 301.364 0.812 20 10 DCCDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137732804 768389392 /nfs/dbraw/zinc/38/93/92/768389392.db2.gz QHUBBUUCZVZSMM-AWEZNQCLSA-N 1 0 307.354 0.891 20 10 DCCDRO Cc1c(O)ccc(C[NH+]2CCN(c3ncncn3)CC2)c1O ZINC001140749741 768544885 /nfs/dbraw/zinc/54/48/85/768544885.db2.gz LIRDYAMEZULBEZ-UHFFFAOYSA-N 1 0 301.350 0.913 20 10 DCCDRO COc1cc(N(C)C)ccc1CN1CCN2C(=O)COC[C@@H]2C1 ZINC001231855626 769288093 /nfs/dbraw/zinc/28/80/93/769288093.db2.gz XLHLPWDNIUVYBD-HNNXBMFYSA-N 1 0 319.405 0.804 20 10 DCCDRO COC(=O)[C@H]1CN(C)CCN1Cc1c(O)ccc(F)c1F ZINC001233336209 769361143 /nfs/dbraw/zinc/36/11/43/769361143.db2.gz CHNORXPFZZIROO-LLVKDONJSA-N 1 0 300.305 0.959 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)cc1OC ZINC001236750113 770016616 /nfs/dbraw/zinc/01/66/16/770016616.db2.gz ORFQPBVXIFGCCZ-HZPDHXFCSA-N 1 0 311.378 0.975 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1c(C)cccc1O)C2 ZINC001237488799 770048219 /nfs/dbraw/zinc/04/82/19/770048219.db2.gz QLHRKXRBZCUYIU-KRWDZBQOSA-N 1 0 317.389 0.623 20 10 DCCDRO C[NH+](C)CCn1ccc(C(=O)NCc2c(O)cccc2O)n1 ZINC001178910453 770900820 /nfs/dbraw/zinc/90/08/20/770900820.db2.gz DXOASRBQBWXIGD-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO O=C(NCCc1cc(O)c(O)cc1O)C12CC[NH+](CC1)CC2 ZINC001181552134 771303959 /nfs/dbraw/zinc/30/39/59/771303959.db2.gz NQRYRPIBBOGYQV-UHFFFAOYSA-N 1 0 306.362 0.948 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001161380096 772214249 /nfs/dbraw/zinc/21/42/49/772214249.db2.gz JIDBKOMJJWGZNA-INIZCTEOSA-N 1 0 302.422 0.835 20 10 DCCDRO COc1cc(Br)cc(C[N@H+](C)C[C@H](O)CO)c1O ZINC001204338355 772945687 /nfs/dbraw/zinc/94/56/87/772945687.db2.gz QLHHASKUJRGBMB-JTQLQIEISA-N 1 0 320.183 0.948 20 10 DCCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC001205958955 773036568 /nfs/dbraw/zinc/03/65/68/773036568.db2.gz HZGVCAJMIAWTIF-IAGOWNOFSA-N 1 0 305.422 0.542 20 10 DCCDRO COc1cccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000400209963 774023603 /nfs/dbraw/zinc/02/36/03/774023603.db2.gz SHJHKAFNIVLQBN-LLVKDONJSA-N 1 0 300.380 0.524 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1[NH2+]CC[C@H]1O ZINC001220212371 774736116 /nfs/dbraw/zinc/73/61/16/774736116.db2.gz HEEMSIMZRDRFFD-YPMHNXCESA-N 1 0 321.764 0.933 20 10 DCCDRO Cc1cc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])c(O)c1 ZINC001220825787 774926789 /nfs/dbraw/zinc/92/67/89/774926789.db2.gz QZCDUWPMRGKLSI-ZDUSSCGKSA-N 1 0 305.378 0.575 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000316512101 774959613 /nfs/dbraw/zinc/95/96/13/774959613.db2.gz TXABTVJIQPTUGF-UHFFFAOYSA-N 1 0 302.382 0.575 20 10 DCCDRO COC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266650586 939192704 /nfs/dbraw/zinc/19/27/04/939192704.db2.gz BBTZSCZRHYCXHW-UHFFFAOYSA-N 1 0 323.393 0.908 20 10 DCCDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001270068966 940828815 /nfs/dbraw/zinc/82/88/15/940828815.db2.gz GQIXMCHTFWPCOX-UHFFFAOYSA-N 1 0 321.377 0.123 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(OC)c1 ZINC001141029212 944145491 /nfs/dbraw/zinc/14/54/91/944145491.db2.gz MJOUDWXWUWYPEI-JQWIXIFHSA-N 1 0 306.362 0.977 20 10 DCCDRO C[NH+](C)CCN1CC2(C1)CN(Cc1cc(O)c(O)cc1O)C2 ZINC001276516615 944196151 /nfs/dbraw/zinc/19/61/51/944196151.db2.gz KFANGCKWSSWLMU-UHFFFAOYSA-N 1 0 307.394 0.483 20 10 DCCDRO O=C(Nc1nnco1)[C@@H]1CC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001277192057 944697862 /nfs/dbraw/zinc/69/78/62/944697862.db2.gz KDPNBWBUIFGJHS-NSHDSACASA-N 1 0 316.317 0.941 20 10 DCCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001277420640 944811806 /nfs/dbraw/zinc/81/18/06/944811806.db2.gz CTCPDYHHAWXDQY-GASCZTMLSA-N 1 0 320.389 0.623 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c1 ZINC001249215227 945625430 /nfs/dbraw/zinc/62/54/30/945625430.db2.gz XDFJDJLIBHNHQR-CQSZACIVSA-N 1 0 306.362 0.818 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001321411483 946319623 /nfs/dbraw/zinc/31/96/23/946319623.db2.gz UFWRXZCGAFWUOL-UHFFFAOYSA-N 1 0 305.378 0.561 20 10 DCCDRO COCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001322240219 946623272 /nfs/dbraw/zinc/62/32/72/946623272.db2.gz BQXVKBFNINDJEM-UHFFFAOYSA-N 1 0 323.393 0.045 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC001257292297 946722622 /nfs/dbraw/zinc/72/26/22/946722622.db2.gz GDCUUCVMVPWRTD-UHFFFAOYSA-N 1 0 315.391 0.430 20 10 DCCDRO O=S1(=O)CCC(O)(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC001325746571 947910062 /nfs/dbraw/zinc/91/00/62/947910062.db2.gz OXZXIAZBSDYIBO-UHFFFAOYSA-N 1 0 303.355 0.561 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001332434167 951645106 /nfs/dbraw/zinc/64/51/06/951645106.db2.gz MTBFWWZTYMXRJG-GFCCVEGCSA-N 1 0 305.378 0.548 20 10 DCCDRO COc1cccc(C[NH+]2CC3(CN(CC(=O)N(C)C)C3)C2)c1O ZINC001275273396 952042049 /nfs/dbraw/zinc/04/20/49/952042049.db2.gz NRNWDQDXCZOQBB-UHFFFAOYSA-N 1 0 319.405 0.607 20 10 DCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001336965687 952790499 /nfs/dbraw/zinc/79/04/99/952790499.db2.gz PQQWUFGMUYTNGQ-JTQLQIEISA-N 1 0 310.373 0.361 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)[NH+](C)C)cc1 ZINC001343047998 953319808 /nfs/dbraw/zinc/31/98/08/953319808.db2.gz QZLRNAOCFRWPLK-LSDHHAIUSA-N 1 0 322.453 0.570 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001345636518 953694547 /nfs/dbraw/zinc/69/45/47/953694547.db2.gz GEUMVAUBPGKQFL-GJZGRUSLSA-N 1 0 308.426 0.445 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001357385436 957264229 /nfs/dbraw/zinc/26/42/29/957264229.db2.gz VLUWHTMOGLDRKM-MLGOLLRUSA-N 1 0 305.422 0.902 20 10 DCCDRO C[NH+]1CCN(C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001542930872 1012495377 /nfs/dbraw/zinc/49/53/77/1012495377.db2.gz SKUGORXADKMPIB-UHFFFAOYSA-N 1 0 321.421 0.783 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCN(C)C2=O)cc1 ZINC001521145906 1017329299 /nfs/dbraw/zinc/32/92/99/1017329299.db2.gz ZELUVJCILKDYDP-GJZGRUSLSA-N 1 0 318.421 0.737 20 10 DCCDRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1O ZINC000272894940 130072282 /nfs/dbraw/zinc/07/22/82/130072282.db2.gz ZTRYMKOHNZLNKG-LBPRGKRZSA-N 1 0 321.377 0.476 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000297687093 132029200 /nfs/dbraw/zinc/02/92/00/132029200.db2.gz BUMWNYQNCZBMTF-UHFFFAOYSA-N 1 0 320.437 0.731 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000277012376 396043513 /nfs/dbraw/zinc/04/35/13/396043513.db2.gz LOERKTISKPJYHC-UHFFFAOYSA-N 1 0 314.455 0.675 20 10 DCCDRO CN(C)c1ccc(C[N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000178864876 396211782 /nfs/dbraw/zinc/21/17/82/396211782.db2.gz WNDDZJKDSSGTLH-UHFFFAOYSA-N 1 0 316.405 0.782 20 10 DCCDRO C[C@@H](O)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000297947565 415984070 /nfs/dbraw/zinc/98/40/70/415984070.db2.gz ASSSKQRCCQIVHP-UONOGXRCSA-N 1 0 323.437 0.432 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CCO)cc2=O ZINC000298762525 416026949 /nfs/dbraw/zinc/02/69/49/416026949.db2.gz QKKBHIAHTFAXRP-UHFFFAOYSA-N 1 0 308.338 0.426 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000237690622 416328760 /nfs/dbraw/zinc/32/87/60/416328760.db2.gz XVJXWUFOLBIPPH-ZDUSSCGKSA-N 1 0 307.369 0.888 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC[N@@H+]1CCCOCC1 ZINC000189430688 527614178 /nfs/dbraw/zinc/61/41/78/527614178.db2.gz ZLVWVFKMHZDDHI-HWKANZROSA-N 1 0 306.362 0.950 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]([NH2+]CCO)C2)cc1 ZINC000970830645 657959711 /nfs/dbraw/zinc/95/97/11/657959711.db2.gz KEGVHEBNRWCDEG-GFCCVEGCSA-N 1 0 305.338 0.645 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N2)[NH+](C)C)cc1 ZINC000891250199 658088042 /nfs/dbraw/zinc/08/80/42/658088042.db2.gz VHGKTTFALPXXDV-KBPBESRZSA-N 1 0 304.394 0.360 20 10 DCCDRO CNC(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254154 658091045 /nfs/dbraw/zinc/09/10/45/658091045.db2.gz WLYBROXAKDVHLR-CQSZACIVSA-N 1 0 321.425 0.401 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160468698 658091806 /nfs/dbraw/zinc/09/18/06/658091806.db2.gz NDGIRJOCOLCPFM-GFCCVEGCSA-N 1 0 314.407 0.833 20 10 DCCDRO CCN(CC)c1ccc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC000895314620 662166101 /nfs/dbraw/zinc/16/61/01/662166101.db2.gz NUWHHSFNINDQIW-GJZGRUSLSA-N 1 0 318.421 0.551 20 10 DCCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2c(O)cccc2OC)[C@@H](CO)C1 ZINC000898359209 662951116 /nfs/dbraw/zinc/95/11/16/662951116.db2.gz NBBCSVGIKNHQCT-YPMHNXCESA-N 1 0 324.377 0.940 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CCO)[NH+](C)C)cc1 ZINC000899100885 663123960 /nfs/dbraw/zinc/12/39/60/663123960.db2.gz CJWBHWOWIASPDE-HNNXBMFYSA-N 1 0 308.426 0.989 20 10 DCCDRO COc1cccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c1O ZINC000903969080 663499358 /nfs/dbraw/zinc/49/93/58/663499358.db2.gz UOEIFOOOGWXUON-LBPRGKRZSA-N 1 0 314.407 0.267 20 10 DCCDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1C ZINC000903968895 663499381 /nfs/dbraw/zinc/49/93/81/663499381.db2.gz PUZJIEZWKLJCIT-CQSZACIVSA-N 1 0 312.435 0.875 20 10 DCCDRO CNS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460183 663755994 /nfs/dbraw/zinc/75/59/94/663755994.db2.gz OANMFZPRKVHAEQ-CYBMUJFWSA-N 1 0 300.428 0.409 20 10 DCCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861756103 666973885 /nfs/dbraw/zinc/97/38/85/666973885.db2.gz YQJWKXKMQRBXRN-ZDUSSCGKSA-N 1 0 316.405 0.485 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000884633698 667580090 /nfs/dbraw/zinc/58/00/90/667580090.db2.gz WELZIONMQPUJEA-DYEKYZERSA-N 1 0 318.421 0.878 20 10 DCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1 ZINC000739022758 667690439 /nfs/dbraw/zinc/69/04/39/667690439.db2.gz KXRWYWGQKIVEIC-CYBMUJFWSA-N 1 0 323.393 0.921 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC000839164847 667734460 /nfs/dbraw/zinc/73/44/60/667734460.db2.gz AJURUEUJIOQISV-CABZTGNLSA-N 1 0 302.168 0.940 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1Cn1cccn1 ZINC000873148807 667975879 /nfs/dbraw/zinc/97/58/79/667975879.db2.gz IAJUYFIEVVSECW-DOMZBBRYSA-N 1 0 305.378 0.771 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762577996 668367898 /nfs/dbraw/zinc/36/78/98/668367898.db2.gz ZFIJWADXHFSNJU-MRXNPFEDSA-N 1 0 306.410 0.618 20 10 DCCDRO CC[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507287 668458094 /nfs/dbraw/zinc/45/80/94/668458094.db2.gz ZVZHPLRSAUPFAI-RHSMWYFYSA-N 1 0 318.421 0.785 20 10 DCCDRO CC(=O)N1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506418 668458119 /nfs/dbraw/zinc/45/81/19/668458119.db2.gz JXCUMUCACIXSHJ-HOTGVXAUSA-N 1 0 318.421 0.880 20 10 DCCDRO C[NH+](C)CCn1cc(C(=O)NCCc2ccc(N)cc2)cn1 ZINC000876528109 668461103 /nfs/dbraw/zinc/46/11/03/668461103.db2.gz LEBAIDZFVUPBHJ-UHFFFAOYSA-N 1 0 301.394 0.999 20 10 DCCDRO CN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccc(N)cc1 ZINC000877077761 668559207 /nfs/dbraw/zinc/55/92/07/668559207.db2.gz TZJKQWPWHBDODJ-LBPRGKRZSA-N 1 0 300.366 0.889 20 10 DCCDRO OCC1(CO)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877632476 668635436 /nfs/dbraw/zinc/63/54/36/668635436.db2.gz AHPGEXWRLMQDPO-UHFFFAOYSA-N 1 0 320.433 0.824 20 10 DCCDRO COc1ccc(O)c(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1 ZINC000877668749 668638670 /nfs/dbraw/zinc/63/86/70/668638670.db2.gz UGNRXNBEQJRBPO-HZPDHXFCSA-N 1 0 304.346 0.885 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccccc2O)CC1=O ZINC000769359028 668644256 /nfs/dbraw/zinc/64/42/56/668644256.db2.gz FVWHFKPNAGFWQM-CYBMUJFWSA-N 1 0 305.378 0.419 20 10 DCCDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000775835032 668868532 /nfs/dbraw/zinc/86/85/32/668868532.db2.gz DBVNZPCZIOCOGU-QWHCGFSZSA-N 1 0 320.437 0.996 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1COC[C@H]1C)cc2=O ZINC000932488535 669374654 /nfs/dbraw/zinc/37/46/54/669374654.db2.gz NRFKHVHLVZXXIE-BXKDBHETSA-N 1 0 320.349 0.736 20 10 DCCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000788376607 669434722 /nfs/dbraw/zinc/43/47/22/669434722.db2.gz ABQRLRBKPLICEW-LRDDRELGSA-N 1 0 322.405 0.971 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856253244 670798297 /nfs/dbraw/zinc/79/82/97/670798297.db2.gz IOBDSUYLWNNTDY-GFCCVEGCSA-N 1 0 306.362 0.769 20 10 DCCDRO OCCO[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000850358111 670909098 /nfs/dbraw/zinc/90/90/98/670909098.db2.gz HCALEFJZBPFAHR-HNNXBMFYSA-N 1 0 311.334 0.379 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000817917693 670952896 /nfs/dbraw/zinc/95/28/96/670952896.db2.gz CPPOLIQWYKXQJL-AWEZNQCLSA-N 1 0 318.421 0.661 20 10 DCCDRO C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817945568 670955569 /nfs/dbraw/zinc/95/55/69/670955569.db2.gz GLXGNMSTKJLWGJ-SNVBAGLBSA-N 1 0 308.338 0.383 20 10 DCCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(O)C[NH2+]C1 ZINC000852789602 671160592 /nfs/dbraw/zinc/16/05/92/671160592.db2.gz IHCAGCUCZJXUSF-UHFFFAOYSA-N 1 0 303.406 0.970 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C2)cc1 ZINC000852844708 671172611 /nfs/dbraw/zinc/17/26/11/671172611.db2.gz YWIOVLRKDZDPOJ-CZUORRHYSA-N 1 0 320.437 0.669 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000852868546 671180100 /nfs/dbraw/zinc/18/01/00/671180100.db2.gz ISSSOKCQVBDCCO-KRWDZBQOSA-N 1 0 321.396 0.966 20 10 DCCDRO COc1c(O)c(CN2CCOC3(C[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000853249366 671223918 /nfs/dbraw/zinc/22/39/18/671223918.db2.gz QDGKDDUMSNTHSV-UHFFFAOYSA-N 1 0 309.322 0.483 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000825973617 671476239 /nfs/dbraw/zinc/47/62/39/671476239.db2.gz LVQABHJLCKTLEQ-AWEZNQCLSA-N 1 0 304.394 0.237 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567337 671531795 /nfs/dbraw/zinc/53/17/95/671531795.db2.gz HIJBPJCJZSPVTB-AWEZNQCLSA-N 1 0 321.377 0.030 20 10 DCCDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1ccc(N)cc1 ZINC000830239918 671620176 /nfs/dbraw/zinc/62/01/76/671620176.db2.gz AZAWWWILMYLAJH-UHFFFAOYSA-N 1 0 304.438 0.907 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(=O)n2C)cc1 ZINC000832267635 671712649 /nfs/dbraw/zinc/71/26/49/671712649.db2.gz YBHBFUZKIQYPDW-CQSZACIVSA-N 1 0 314.389 0.881 20 10 DCCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)n1cncn1 ZINC000832280184 671713104 /nfs/dbraw/zinc/71/31/04/671713104.db2.gz NTUYMXCPHLRXJZ-BXUZGUMPSA-N 1 0 302.382 0.721 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC(=O)N2C)cc1 ZINC000832284051 671713236 /nfs/dbraw/zinc/71/32/36/671713236.db2.gz HCZPNXTVTAJQRB-UONOGXRCSA-N 1 0 304.394 0.489 20 10 DCCDRO COC(=O)N(C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299604 671713825 /nfs/dbraw/zinc/71/38/25/671713825.db2.gz FJFNDWCLWDWKIH-CYBMUJFWSA-N 1 0 308.382 0.567 20 10 DCCDRO Nc1ccc(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000832658830 671730335 /nfs/dbraw/zinc/73/03/35/671730335.db2.gz CYROCMOHAAMBSV-CQSZACIVSA-N 1 0 304.394 0.186 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000841653170 671947099 /nfs/dbraw/zinc/94/70/99/671947099.db2.gz HPIHOYMBHNFPQK-UHFFFAOYSA-N 1 0 305.426 0.457 20 10 DCCDRO CN1CCCc2cc(CNC(=O)N3CCO[C@H](C[NH3+])C3)ccc21 ZINC000841758143 671952950 /nfs/dbraw/zinc/95/29/50/671952950.db2.gz DGDMSACUWQRXNB-OAHLLOKOSA-N 1 0 318.421 0.938 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000842034967 671977556 /nfs/dbraw/zinc/97/75/56/671977556.db2.gz ATDLKTPASAYEEM-UHFFFAOYSA-N 1 0 320.437 0.812 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000842036636 671978257 /nfs/dbraw/zinc/97/82/57/671978257.db2.gz PVMFHDLBLDARRQ-OKILXGFUSA-N 1 0 316.405 0.047 20 10 DCCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCC[NH3+] ZINC000842222709 671996581 /nfs/dbraw/zinc/99/65/81/671996581.db2.gz RBVJNQZPCPEWSG-UHFFFAOYSA-N 1 0 318.421 0.710 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842249659 672000368 /nfs/dbraw/zinc/00/03/68/672000368.db2.gz QMYCCQBQCSKCBK-GFCCVEGCSA-N 1 0 306.410 0.422 20 10 DCCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000843071080 672058911 /nfs/dbraw/zinc/05/89/11/672058911.db2.gz YENDJAKSXGFYJX-CQSZACIVSA-N 1 0 309.385 0.822 20 10 DCCDRO CCN1C[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1=O ZINC000843296423 672079957 /nfs/dbraw/zinc/07/99/57/672079957.db2.gz CSKBOQLGQXKUGJ-HIFRSBDPSA-N 1 0 318.421 0.737 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCN2CCOC2=O)cc1 ZINC000843299821 672080340 /nfs/dbraw/zinc/08/03/40/672080340.db2.gz XBXUFDXEOHOXMS-CQSZACIVSA-N 1 0 320.393 0.711 20 10 DCCDRO C[C@H](NC(=O)CN1CCCc2cc(C[NH3+])ccc21)C(=O)N(C)C ZINC000843350997 672085956 /nfs/dbraw/zinc/08/59/56/672085956.db2.gz ZNHFUPUGTMJOFO-LBPRGKRZSA-N 1 0 318.421 0.491 20 10 DCCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCC(=O)NC2=O)cc1 ZINC000844402167 672179714 /nfs/dbraw/zinc/17/97/14/672179714.db2.gz VVQOXBZPKUSPKN-AWEZNQCLSA-N 1 0 305.378 0.868 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846332707 672307316 /nfs/dbraw/zinc/30/73/16/672307316.db2.gz OWVDZCZZEIZHBG-UHFFFAOYSA-N 1 0 318.421 0.614 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc(OC)n1 ZINC001007792745 690750435 /nfs/dbraw/zinc/75/04/35/690750435.db2.gz OQTYRJRWIXUNQH-CYBMUJFWSA-N 1 0 323.393 0.675 20 10 DCCDRO CNC(=O)C[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567083772 1160234521 /nfs/dbraw/zinc/23/45/21/1160234521.db2.gz SMEABAWPKFNDJF-SECBINFHSA-N 1 0 320.353 0.303 20 10 DCCDRO C[S@](=O)C1(C(=O)NCc2cccc(O)c2O)CC[NH2+]CC1 ZINC001579355115 1165286341 /nfs/dbraw/zinc/28/63/41/1165286341.db2.gz JLADVUVTGJOWTD-NRFANRHFSA-N 1 0 312.391 0.215 20 10 DCCDRO C[C@@H](O)[C@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001579420151 1165303650 /nfs/dbraw/zinc/30/36/50/1165303650.db2.gz QTPJAXMIWLEJQJ-RISCZKNCSA-N 1 0 309.435 0.564 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O ZINC001597574861 1168009438 /nfs/dbraw/zinc/00/94/38/1168009438.db2.gz UUGXSDRWALQOQX-LLVKDONJSA-N 1 0 321.377 0.124 20 10 DCCDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001618753222 1171400015 /nfs/dbraw/zinc/40/00/15/1171400015.db2.gz RALRTUXRTFLFNU-INIZCTEOSA-N 1 0 308.378 0.555 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(O)c1 ZINC001652145971 1173763045 /nfs/dbraw/zinc/76/30/45/1173763045.db2.gz AJQKREFMFHUZMZ-LBPRGKRZSA-N 1 0 314.407 0.962 20 10 DCCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)CNC(C)=O)cc1C ZINC001668678164 1174819368 /nfs/dbraw/zinc/81/93/68/1174819368.db2.gz IWCDVWMGWBZURM-SNAWJCMRSA-N 1 0 319.405 0.902 20 10 DCCDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000697286143 749523847 /nfs/dbraw/zinc/52/38/47/749523847.db2.gz IHNMYTJWLQOMRC-JQWIXIFHSA-N 1 0 305.783 0.947 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC001126936952 750149427 /nfs/dbraw/zinc/14/94/27/750149427.db2.gz YMPFLCMPTUHUBU-CHWSQXEVSA-N 1 0 307.350 0.875 20 10 DCCDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001117147603 765995491 /nfs/dbraw/zinc/99/54/91/765995491.db2.gz SSTPWOYFTODAOG-LBPRGKRZSA-N 1 0 307.394 0.807 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CCn2cnnn2)cc1C ZINC001135681718 766043574 /nfs/dbraw/zinc/04/35/74/766043574.db2.gz RDQPZYURSIOWFU-UHFFFAOYSA-N 1 0 318.381 0.286 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@H](O)C[NH3+])CC2)cc1F ZINC001122006177 767695155 /nfs/dbraw/zinc/69/51/55/767695155.db2.gz ZONCRKZUQRNJLL-LBPRGKRZSA-N 1 0 311.357 0.193 20 10 DCCDRO COc1cc(CN2CCN3C(=O)COC[C@@H]3C2)c(O)cc1O ZINC001231637132 769271436 /nfs/dbraw/zinc/27/14/36/769271436.db2.gz FKGULFKTSOCIPD-NSHDSACASA-N 1 0 308.334 0.149 20 10 DCCDRO COc1cc(CN2CCN(CC(=O)N(C)C)CC2)c(O)cc1O ZINC001231636106 769271689 /nfs/dbraw/zinc/27/16/89/769271689.db2.gz RDFKBKMDCPFQCK-UHFFFAOYSA-N 1 0 323.393 0.312 20 10 DCCDRO COCC(=O)NC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485522 769371998 /nfs/dbraw/zinc/37/19/98/769371998.db2.gz ZNOKORMAMAHPID-UHFFFAOYSA-N 1 0 310.350 0.530 20 10 DCCDRO COc1cc(O)c(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(OC)c1 ZINC001235064706 769756522 /nfs/dbraw/zinc/75/65/22/769756522.db2.gz SYRQOIIORLIEOU-MRXNPFEDSA-N 1 0 307.394 0.547 20 10 DCCDRO COC(=O)c1cc(N2CC[C@@H]([NH3+])C2)c(NC(C)=O)cc1OC ZINC001164280805 772636123 /nfs/dbraw/zinc/63/61/23/772636123.db2.gz HSDIFHZSQOLEQK-SNVBAGLBSA-N 1 0 307.350 0.978 20 10 DCCDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878435 772928250 /nfs/dbraw/zinc/92/82/50/772928250.db2.gz ULWUVBXOHBUONB-GDBMZVCRSA-N 1 0 306.362 0.825 20 10 DCCDRO COc1ccc(Br)c(CN2C[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205358601 772988928 /nfs/dbraw/zinc/98/89/28/772988928.db2.gz YNWJROOKKBPUAJ-NXEZZACHSA-N 1 0 317.183 0.667 20 10 DCCDRO COc1cc(C(=O)N(c2ncccn2)C2C[NH2+]C2)cc(O)c1O ZINC001193098319 773004693 /nfs/dbraw/zinc/00/46/93/773004693.db2.gz QLPCSVXZMUAALX-UHFFFAOYSA-N 1 0 316.317 0.515 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@@H]1O ZINC001206525629 773084220 /nfs/dbraw/zinc/08/42/20/773084220.db2.gz VVXGSISBCMCQIQ-BBRMVZONSA-N 1 0 309.385 0.414 20 10 DCCDRO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626309 773090543 /nfs/dbraw/zinc/09/05/43/773090543.db2.gz UPYBIBPNKKDJPM-UHFFFAOYSA-N 1 0 308.725 0.883 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)CNC(C)=O)cc1C ZINC001154184344 775006593 /nfs/dbraw/zinc/00/65/93/775006593.db2.gz YJXYYGJQUUJQCJ-UHFFFAOYSA-N 1 0 307.394 0.736 20 10 DCCDRO COc1cc(CN2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)cc(O)c1O ZINC001277219089 944712768 /nfs/dbraw/zinc/71/27/68/944712768.db2.gz OFXQCGWRSFZLQT-GYSYKLTISA-N 1 0 322.361 0.571 20 10 DCCDRO NC(=O)[C@@H]1CC12C[NH+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001277407769 944810957 /nfs/dbraw/zinc/81/09/57/944810957.db2.gz BRNRYQWFIQVARL-HNNXBMFYSA-N 1 0 301.390 0.830 20 10 DCCDRO COC[C@@H]1C[N@H+](Cc2ccc(CC(=O)OC)cc2O)CCO1 ZINC001249215259 945623698 /nfs/dbraw/zinc/62/36/98/945623698.db2.gz YHQJYYDKUNMPSZ-AWEZNQCLSA-N 1 0 309.362 0.955 20 10 DCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC001262034203 947536318 /nfs/dbraw/zinc/53/63/18/947536318.db2.gz VXPHHVVFXMQINC-LBPRGKRZSA-N 1 0 318.421 0.539 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H](C)[NH2+]1 ZINC001326473814 948176639 /nfs/dbraw/zinc/17/66/39/948176639.db2.gz OLMJJWBHRQLFDK-RYUDHWBXSA-N 1 0 305.378 0.559 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1[NH3+] ZINC001335710657 952586492 /nfs/dbraw/zinc/58/64/92/952586492.db2.gz BYSNHCFIWDHIIS-GWCFXTLKSA-N 1 0 303.362 0.430 20 10 DCCDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001345185862 953610542 /nfs/dbraw/zinc/61/05/42/953610542.db2.gz MZUGDZKRNWNXRP-OLZOCXBDSA-N 1 0 320.437 0.902 20 10 DCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001346381446 953875285 /nfs/dbraw/zinc/87/52/85/953875285.db2.gz NASHESCYLGZVKH-WBMJQRKESA-N 1 0 320.412 0.896 20 10 DCCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001347178734 954039710 /nfs/dbraw/zinc/03/97/10/954039710.db2.gz OPYZYLAQXHTMJJ-STQMWFEESA-N 1 0 312.435 0.780 20 10 DCCDRO CC(=O)N1CCN(c2ccc(C[NH2+]CCC(N)=O)cc2)CC1 ZINC001353355275 956031651 /nfs/dbraw/zinc/03/16/51/956031651.db2.gz XOCISQLEWIIKAD-UHFFFAOYSA-N 1 0 304.394 0.320 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCNC(N)=O)cc1C ZINC001491666421 959099454 /nfs/dbraw/zinc/09/94/54/959099454.db2.gz YHJNVSUMCSAEGG-LBPRGKRZSA-N 1 0 322.409 0.656 20 10 DCCDRO C[NH+](C)CCN1CCN(Cc2cc(F)c(F)cc2O)CC1=O ZINC001308847523 960184265 /nfs/dbraw/zinc/18/42/65/960184265.db2.gz KOBSPBXEOAUAHW-UHFFFAOYSA-N 1 0 313.348 0.876 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001449079282 1014170908 /nfs/dbraw/zinc/17/09/08/1014170908.db2.gz GZKUKSMSSNTVDE-QWHCGFSZSA-N 1 0 306.362 0.308 20 10 DCCDRO OCC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CO ZINC001560231662 1012446732 /nfs/dbraw/zinc/44/67/32/1012446732.db2.gz YBVYKLVCWNNAIO-DLBZAZTESA-N 1 0 320.433 0.946 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCN(C)C2=O)cc1 ZINC001521145910 1017330138 /nfs/dbraw/zinc/33/01/38/1017330138.db2.gz ZELUVJCILKDYDP-LSDHHAIUSA-N 1 0 318.421 0.737 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001480574852 1018674218 /nfs/dbraw/zinc/67/42/18/1018674218.db2.gz YROZBSJPKQUXQZ-OCCSQVGLSA-N 1 0 319.405 0.877 20 10 DCCDRO O=C1NC(=S)NC(=O)C1=CNCCC[NH+]1CCCCCC1 ZINC000060865444 184157589 /nfs/dbraw/zinc/15/75/89/184157589.db2.gz LKWHBGKNLIPMIY-UHFFFAOYSA-N 1 0 310.423 0.257 20 10 DCCDRO Cc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(O)c1O ZINC000272821009 130065969 /nfs/dbraw/zinc/06/59/69/130065969.db2.gz ORKLCGUIVIFMHF-UHFFFAOYSA-N 1 0 321.377 0.252 20 10 DCCDRO C[C@@H]1CCCC[N@@H+]1CCCNC=C1C(=O)NC(=S)NC1=O ZINC000052529087 395864010 /nfs/dbraw/zinc/86/40/10/395864010.db2.gz SAEPMTXQNANRIY-SNVBAGLBSA-N 1 0 310.423 0.255 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000277124520 396051101 /nfs/dbraw/zinc/05/11/01/396051101.db2.gz ZGUOBCWRHFYCNA-UHFFFAOYSA-N 1 0 321.830 0.968 20 10 DCCDRO O=C1C[C@@H]([NH2+]Cc2ccccc2O)CN1CCN1CCOCC1 ZINC000172697041 396132814 /nfs/dbraw/zinc/13/28/14/396132814.db2.gz LMXCJKCXZFYPEZ-OAHLLOKOSA-N 1 0 319.405 0.415 20 10 DCCDRO COc1ccc(N2CC[NH+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000283053290 396301528 /nfs/dbraw/zinc/30/15/28/396301528.db2.gz RHKZSVJDPLRRRA-UHFFFAOYSA-N 1 0 306.366 0.402 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[NH2+]CCO1 ZINC000188101459 396379245 /nfs/dbraw/zinc/37/92/45/396379245.db2.gz PZLXDSKCNZQHDR-OAHLLOKOSA-N 1 0 323.368 0.267 20 10 DCCDRO COc1cc(O)c(C[NH2+]CCS(=O)(=O)N(C)C)cc1OC ZINC000290930794 396475671 /nfs/dbraw/zinc/47/56/71/396475671.db2.gz OYTFNNNEYGPGRS-UHFFFAOYSA-N 1 0 318.395 0.390 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCOC1C[NH2+]C1 ZINC000348986591 416249872 /nfs/dbraw/zinc/24/98/72/416249872.db2.gz CDRWOAMDGSKPNP-UHFFFAOYSA-N 1 0 305.378 0.857 20 10 DCCDRO C[NH+](C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299219787 229001592 /nfs/dbraw/zinc/00/15/92/229001592.db2.gz LBZBMAYIUKPPGJ-UHFFFAOYSA-N 1 0 315.395 0.445 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000131208521 524409675 /nfs/dbraw/zinc/40/96/75/524409675.db2.gz YGXDZYXAZKJREN-AWEZNQCLSA-N 1 0 321.421 0.656 20 10 DCCDRO O=C(NCc1ccccc1O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000317893200 657760636 /nfs/dbraw/zinc/76/06/36/657760636.db2.gz QLLKZUTXJILFHW-UHFFFAOYSA-N 1 0 301.350 0.838 20 10 DCCDRO C[C@H](CC(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247076 658079295 /nfs/dbraw/zinc/07/92/95/658079295.db2.gz HEMPFNIBSLFUBU-IUODEOHRSA-N 1 0 320.437 0.983 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)cc1C ZINC000995069573 665754233 /nfs/dbraw/zinc/75/42/33/665754233.db2.gz GREXHFPNNNOALH-ZIAGYGMSSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1cc(C)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c1O ZINC000895254163 662156968 /nfs/dbraw/zinc/15/69/68/662156968.db2.gz OULVTWOGFGGZIC-DGCLKSJQSA-N 1 0 315.391 0.611 20 10 DCCDRO C[NH+]1CCC(OCC(=O)OCC(=O)c2ccc(O)c(O)c2)CC1 ZINC000923792485 663049826 /nfs/dbraw/zinc/04/98/26/663049826.db2.gz PFLNICBVQUUVJE-UHFFFAOYSA-N 1 0 323.345 0.935 20 10 DCCDRO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(O)c1O ZINC000900810308 663283296 /nfs/dbraw/zinc/28/32/96/663283296.db2.gz GNDOBYWVDHMFFG-WCQYABFASA-N 1 0 307.394 0.770 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c1 ZINC000903969484 663499615 /nfs/dbraw/zinc/49/96/15/663499615.db2.gz YXZSCYKDIWMHHI-ZDUSSCGKSA-N 1 0 314.407 0.267 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206334 663743576 /nfs/dbraw/zinc/74/35/76/663743576.db2.gz ZLPLFSFZJRECJY-AGLBCWCQSA-N 1 0 306.362 0.684 20 10 DCCDRO C[NH2+]CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000910990834 663966414 /nfs/dbraw/zinc/96/64/14/663966414.db2.gz CYBMABQVSOQLPC-UHFFFAOYSA-N 1 0 320.437 0.825 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000911226128 664011605 /nfs/dbraw/zinc/01/16/05/664011605.db2.gz NZYOYXGCRULGMT-LALPHHSUSA-N 1 0 318.421 0.735 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3n(n2)CCO3)cc1 ZINC000911667280 664096721 /nfs/dbraw/zinc/09/67/21/664096721.db2.gz PPAMDEWMWFZQCD-CYBMUJFWSA-N 1 0 315.377 0.771 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(=O)cc[nH]2)cc1 ZINC000911667413 664097333 /nfs/dbraw/zinc/09/73/33/664097333.db2.gz QLRNLNJYGCTJLV-CQSZACIVSA-N 1 0 300.362 0.871 20 10 DCCDRO CCOc1ccc(C[NH2+]C[C@@]2(CO)COCCN2C)c(O)c1 ZINC000922535870 666477703 /nfs/dbraw/zinc/47/77/03/666477703.db2.gz NFPKFCNMNMKSPN-MRXNPFEDSA-N 1 0 310.394 0.574 20 10 DCCDRO NC(=O)C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000862535678 667047550 /nfs/dbraw/zinc/04/75/50/667047550.db2.gz VULULTCQWTZVMN-INIZCTEOSA-N 1 0 319.405 0.599 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000884305330 667519512 /nfs/dbraw/zinc/51/95/12/667519512.db2.gz SOSGGCKKYVBZMC-ZFWWWQNUSA-N 1 0 308.378 0.874 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C(=O)N[C@H](C)C2=O)c1 ZINC000838914010 667717577 /nfs/dbraw/zinc/71/75/77/667717577.db2.gz YGLXBYVELJWVLL-NXEZZACHSA-N 1 0 307.350 0.992 20 10 DCCDRO OC[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839156704 667732728 /nfs/dbraw/zinc/73/27/28/667732728.db2.gz ZMJPIVQDJCDDLP-KRWDZBQOSA-N 1 0 306.406 0.842 20 10 DCCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000886247200 667745463 /nfs/dbraw/zinc/74/54/63/667745463.db2.gz JZDZWYVFMXNEQK-FFGGFLGDSA-N 1 0 306.406 0.622 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)OC)CC2)cc1 ZINC000754010276 668039965 /nfs/dbraw/zinc/03/99/65/668039965.db2.gz RKQWHIQITMMWBA-HNNXBMFYSA-N 1 0 309.410 0.671 20 10 DCCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875272012 668293534 /nfs/dbraw/zinc/29/35/34/668293534.db2.gz RPWIDDQVTFWXGA-ZDUSSCGKSA-N 1 0 304.394 0.663 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000764157714 668436178 /nfs/dbraw/zinc/43/61/78/668436178.db2.gz SEKFOAOAYQUXTR-SWLSCSKDSA-N 1 0 319.405 0.968 20 10 DCCDRO COC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)C[NH2+]CCO1 ZINC000876711889 668493241 /nfs/dbraw/zinc/49/32/41/668493241.db2.gz IBOIWBXXWGVYRX-INIZCTEOSA-N 1 0 307.394 0.374 20 10 DCCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000876731816 668497637 /nfs/dbraw/zinc/49/76/37/668497637.db2.gz UKGFKWTXIYADGB-HIFRSBDPSA-N 1 0 323.368 0.395 20 10 DCCDRO C[NH+](C)C[C@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876872751 668524613 /nfs/dbraw/zinc/52/46/13/668524613.db2.gz LTHSXXYMRSYEBB-CABCVRRESA-N 1 0 321.421 0.789 20 10 DCCDRO COC[C@@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)C[NH2+]CCO1 ZINC000876880037 668527164 /nfs/dbraw/zinc/52/71/64/668527164.db2.gz YJNGHQVDSRMWIP-MEDUHNTESA-N 1 0 324.377 0.583 20 10 DCCDRO CN1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000876994330 668549011 /nfs/dbraw/zinc/54/90/11/668549011.db2.gz HEGXIWSZGGOVOI-AWEZNQCLSA-N 1 0 303.406 0.968 20 10 DCCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877417769 668617429 /nfs/dbraw/zinc/61/74/29/668617429.db2.gz XTMOHOQDEWLVAD-DOTOQJQBSA-N 1 0 306.406 0.575 20 10 DCCDRO COc1cccc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1O ZINC000877669196 668638661 /nfs/dbraw/zinc/63/86/61/668638661.db2.gz XPHQMKXSFHZVCG-HZPDHXFCSA-N 1 0 304.346 0.885 20 10 DCCDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775370572 668861401 /nfs/dbraw/zinc/86/14/01/668861401.db2.gz WNRQBIVFXDVUDD-NXEZZACHSA-N 1 0 310.350 0.729 20 10 DCCDRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775372516 668861553 /nfs/dbraw/zinc/86/15/53/668861553.db2.gz DBIGRHJELKVVRP-JTQLQIEISA-N 1 0 310.350 0.731 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1 ZINC000775370785 668861688 /nfs/dbraw/zinc/86/16/88/668861688.db2.gz IIAKPKNFWUYEAK-QWRGUYRKSA-N 1 0 323.393 0.644 20 10 DCCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](n3cncn3)C1)[C@@H](O)CO2 ZINC000776777856 668881081 /nfs/dbraw/zinc/88/10/81/668881081.db2.gz RQSKMQLHUHMZIZ-FZMZJTMJSA-N 1 0 302.334 0.857 20 10 DCCDRO COc1cccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c1O ZINC000778210618 668895092 /nfs/dbraw/zinc/89/50/92/668895092.db2.gz PZIPDFMXPCZGPW-UHFFFAOYSA-N 1 0 300.380 0.382 20 10 DCCDRO CS(=O)(=O)N1CC(C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000778209955 668895202 /nfs/dbraw/zinc/89/52/02/668895202.db2.gz BVOJAYZPJJPBKO-UHFFFAOYSA-N 1 0 314.363 0.102 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C2(O)CCOCC2)c1 ZINC000930216592 668978606 /nfs/dbraw/zinc/97/86/06/668978606.db2.gz LHWRBSSRFAXDAA-IAQYHMDHSA-N 1 0 311.378 0.954 20 10 DCCDRO COC[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC ZINC000789576259 669502263 /nfs/dbraw/zinc/50/22/63/669502263.db2.gz QDKBSXLFEZCPLQ-INIZCTEOSA-N 1 0 321.421 0.716 20 10 DCCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3COCC[C@H]3O)cc2)CC1 ZINC000883197637 669660954 /nfs/dbraw/zinc/66/09/54/669660954.db2.gz PSXXLHPDNYNGGV-IAGOWNOFSA-N 1 0 306.406 0.887 20 10 DCCDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000808424636 670410633 /nfs/dbraw/zinc/41/06/33/670410633.db2.gz PHFQVHTXZNBJPO-CYBMUJFWSA-N 1 0 313.423 0.753 20 10 DCCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)NS(C)(=O)=O ZINC000111772253 670509373 /nfs/dbraw/zinc/50/93/73/670509373.db2.gz ZHNMBQIOTHQLRY-UHFFFAOYSA-N 1 0 316.379 0.538 20 10 DCCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000848409982 670679818 /nfs/dbraw/zinc/67/98/18/670679818.db2.gz BYBUMIWDPVKMSD-JSGCOSHPSA-N 1 0 318.421 0.612 20 10 DCCDRO CN(C)C(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848995305 670746764 /nfs/dbraw/zinc/74/67/64/670746764.db2.gz DMHOTMXLKIANGB-CYBMUJFWSA-N 1 0 303.410 0.974 20 10 DCCDRO O[C@H]1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000858339456 670994363 /nfs/dbraw/zinc/99/43/63/670994363.db2.gz YOGUCQYJDVLZTB-KRWDZBQOSA-N 1 0 305.422 0.679 20 10 DCCDRO Nc1ccc(CCNC(=O)N2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000851662814 671007272 /nfs/dbraw/zinc/00/72/72/671007272.db2.gz KMRWMXOMRUJOJY-MRXNPFEDSA-N 1 0 318.421 0.927 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000851684780 671012979 /nfs/dbraw/zinc/01/29/79/671012979.db2.gz HQEKYEJCCAWOCS-UHFFFAOYSA-N 1 0 306.410 0.565 20 10 DCCDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852859363 671177134 /nfs/dbraw/zinc/17/71/34/671177134.db2.gz RXHOLKSTIPVCME-HZPDHXFCSA-N 1 0 319.405 0.503 20 10 DCCDRO COc1cc(O)c(CN2CC[N@H+](CCO)C[C@@H]2C)cc1OC ZINC000825336991 671456647 /nfs/dbraw/zinc/45/66/47/671456647.db2.gz BWBBMXFAPKUMIO-LBPRGKRZSA-N 1 0 310.394 0.908 20 10 DCCDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000827158304 671516793 /nfs/dbraw/zinc/51/67/93/671516793.db2.gz OGNCKWMCSUSAOW-UHFFFAOYSA-N 1 0 323.393 0.573 20 10 DCCDRO CCN1CCO[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283723 671713249 /nfs/dbraw/zinc/71/32/49/671713249.db2.gz AONKZBPNIXEFQD-CVEARBPZSA-N 1 0 320.437 0.589 20 10 DCCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCN2CC[NH2+]CC2)c1[O-] ZINC000841043067 671909934 /nfs/dbraw/zinc/90/99/34/671909934.db2.gz NZBQZIINPLQRKS-UHFFFAOYSA-N 1 0 314.773 0.949 20 10 DCCDRO COc1c([O-])c(C[NH2+]CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841044760 671910177 /nfs/dbraw/zinc/91/01/77/671910177.db2.gz HHPLIGPKFRDMEA-UHFFFAOYSA-N 1 0 310.354 0.304 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000841826807 671957712 /nfs/dbraw/zinc/95/77/12/671957712.db2.gz JEWNMDHYMFYVNO-MRXNPFEDSA-N 1 0 319.453 0.845 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000842035274 671977624 /nfs/dbraw/zinc/97/76/24/671977624.db2.gz DUDHAJSPECDZQY-SWLSCSKDSA-N 1 0 318.421 0.565 20 10 DCCDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842036173 671977905 /nfs/dbraw/zinc/97/79/05/671977905.db2.gz KUTOPGVKPSFXHF-TZMCWYRMSA-N 1 0 318.421 0.565 20 10 DCCDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842036550 671978127 /nfs/dbraw/zinc/97/81/27/671978127.db2.gz NWCQREXLARPSBS-AWEZNQCLSA-N 1 0 318.421 0.437 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000842153745 671986724 /nfs/dbraw/zinc/98/67/24/671986724.db2.gz PUWDSQNCCUSIAA-OAHLLOKOSA-N 1 0 318.421 0.627 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170880 671988654 /nfs/dbraw/zinc/98/86/54/671988654.db2.gz MWQMXSOQKBGDDX-UHFFFAOYSA-N 1 0 316.405 0.405 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000842203508 671994169 /nfs/dbraw/zinc/99/41/69/671994169.db2.gz TZHSASGEPNZYTI-STQMWFEESA-N 1 0 318.421 0.750 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C[NH3+])cc1F ZINC000842210072 671994638 /nfs/dbraw/zinc/99/46/38/671994638.db2.gz UFIAELAIHTYZBG-LLVKDONJSA-N 1 0 324.400 0.752 20 10 DCCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842243394 671999784 /nfs/dbraw/zinc/99/97/84/671999784.db2.gz YQEYAVZLQBQFCQ-HNNXBMFYSA-N 1 0 318.421 0.528 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000842249668 672000362 /nfs/dbraw/zinc/00/03/62/672000362.db2.gz QOVZMSTYKBVHBC-CYBMUJFWSA-N 1 0 320.437 0.812 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000842255438 672000693 /nfs/dbraw/zinc/00/06/93/672000693.db2.gz UWWIIYTZDJCFQN-GFCCVEGCSA-N 1 0 307.394 0.984 20 10 DCCDRO CCNC(=O)CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299448 672080497 /nfs/dbraw/zinc/08/04/97/672080497.db2.gz UOOKBVRNWPKUFR-CQSZACIVSA-N 1 0 306.410 0.785 20 10 DCCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000843499605 672106926 /nfs/dbraw/zinc/10/69/26/672106926.db2.gz JSNNXEPDMHUBKL-UHFFFAOYSA-N 1 0 318.421 0.581 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000844220609 672165002 /nfs/dbraw/zinc/16/50/02/672165002.db2.gz ZAMTWRNIGSCWQL-HNNXBMFYSA-N 1 0 304.438 0.992 20 10 DCCDRO CCON(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000846062375 672291664 /nfs/dbraw/zinc/29/16/64/672291664.db2.gz GCXVDDQBHJNTDC-UHFFFAOYSA-N 1 0 313.310 0.809 20 10 DCCDRO COC(=O)C[C@H]([NH3+])C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697410 672338779 /nfs/dbraw/zinc/33/87/79/672338779.db2.gz QIPJUDDSNFNMJM-AWEZNQCLSA-N 1 0 323.393 0.480 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C2(C3(O)C[NH2+]C3)CCC2)cc1 ZINC001578426081 1165012019 /nfs/dbraw/zinc/01/20/19/1165012019.db2.gz SRBVLXPLSCBDLD-UHFFFAOYSA-N 1 0 303.406 0.873 20 10 DCCDRO CN(C)c1ccc(CN2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC001578425424 1165012829 /nfs/dbraw/zinc/01/28/29/1165012829.db2.gz CUVCZWPDRTWFDZ-LSDHHAIUSA-N 1 0 309.435 0.323 20 10 DCCDRO O=C(NCc1cccc(O)c1O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001580719032 1165698345 /nfs/dbraw/zinc/69/83/45/1165698345.db2.gz XFPFTEMEEDGCCN-UHFFFAOYSA-N 1 0 317.349 0.544 20 10 DCCDRO C[N@H+](CC(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1O ZINC001595751081 1167977899 /nfs/dbraw/zinc/97/78/99/1167977899.db2.gz DXDQHEWGVGFYTL-CHWSQXEVSA-N 1 0 308.378 0.602 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3C(=O)[O-])cc2)CC1 ZINC001606245602 1170136296 /nfs/dbraw/zinc/13/62/96/1170136296.db2.gz RJMGQPMDLHLLJB-HOTGVXAUSA-N 1 0 319.405 0.458 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001647773166 1173054816 /nfs/dbraw/zinc/05/48/16/1173054816.db2.gz ONOWFOQXTMYYDM-QQHVMHFCSA-N 1 0 304.346 0.700 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)c(O)c1OC ZINC001652008657 1173760258 /nfs/dbraw/zinc/76/02/58/1173760258.db2.gz MUITYGFNVKDZHJ-UHFFFAOYSA-N 1 0 320.349 0.652 20 10 DCCDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1OC ZINC001658375630 1173921925 /nfs/dbraw/zinc/92/19/25/1173921925.db2.gz XFAIVQFWOJUSGU-LLVKDONJSA-N 1 0 319.365 0.891 20 10 DCCDRO COCC[NH2+]C[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667939464 1174735997 /nfs/dbraw/zinc/73/59/97/1174735997.db2.gz LCNXGBQZGJDVAY-LBPRGKRZSA-N 1 0 323.353 0.176 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)Cn2cncn2)cc1C ZINC001753258442 1188551140 /nfs/dbraw/zinc/55/11/40/1188551140.db2.gz ITVSWCORTGGSRB-UHFFFAOYSA-N 1 0 317.393 0.843 20 10 DCCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CO1 ZINC001169338932 760652320 /nfs/dbraw/zinc/65/23/20/760652320.db2.gz IVDHGRNJNKDDAC-ABAIWWIYSA-N 1 0 323.345 0.981 20 10 DCCDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001117147602 765994829 /nfs/dbraw/zinc/99/48/29/765994829.db2.gz SSTPWOYFTODAOG-GFCCVEGCSA-N 1 0 307.394 0.807 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CNOC3)cc2)CC1 ZINC001120642648 767110131 /nfs/dbraw/zinc/11/01/31/767110131.db2.gz TYGIFRVJAJRFFA-AWEZNQCLSA-N 1 0 319.409 0.141 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC001140098520 768511874 /nfs/dbraw/zinc/51/18/74/768511874.db2.gz CSXZXYIOXPSPOU-QPUJVOFHSA-N 1 0 302.168 0.940 20 10 DCCDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(O)c(O)c(O)c2)O1 ZINC001233011670 769342420 /nfs/dbraw/zinc/34/24/20/769342420.db2.gz BFRZVQYSGNLSAM-HONMWMINSA-N 1 0 322.361 0.623 20 10 DCCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)cc1O ZINC001173738613 769706496 /nfs/dbraw/zinc/70/64/96/769706496.db2.gz SXJVCGXERVMLHJ-TYNCELHUSA-N 1 0 319.365 0.891 20 10 DCCDRO [NH3+][C@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001236173346 769981377 /nfs/dbraw/zinc/98/13/77/769981377.db2.gz JTMKDBQGKQRRHU-AWEZNQCLSA-N 1 0 309.435 0.454 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(O)cc(OC)cc1OC ZINC001236199772 769983417 /nfs/dbraw/zinc/98/34/17/769983417.db2.gz QJDNSMSOFRKTOY-CABZTGNLSA-N 1 0 310.350 0.484 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC001236340842 769998331 /nfs/dbraw/zinc/99/83/31/769998331.db2.gz GETMDBVJBQYHIQ-HZPDHXFCSA-N 1 0 319.405 0.455 20 10 DCCDRO O=C(CNC(=O)C12CC[NH+](CC1)CC2)c1ccc(O)c(O)c1 ZINC001181552478 771304194 /nfs/dbraw/zinc/30/41/94/771304194.db2.gz NTALZEVBDDATIS-UHFFFAOYSA-N 1 0 304.346 0.883 20 10 DCCDRO CCN(C(=O)CN1C(=O)CSC1=S)[C@H]1CCC[NH2+]C1 ZINC001161331725 772206183 /nfs/dbraw/zinc/20/61/83/772206183.db2.gz GSLONVGOURXIHD-VIFPVBQESA-N 1 0 301.437 0.447 20 10 DCCDRO COc1cc(CN2CCOCC2)ccc1N(CC[NH3+])CCO ZINC001163836108 772579985 /nfs/dbraw/zinc/57/99/85/772579985.db2.gz MRFQTJGTRSNKNU-UHFFFAOYSA-N 1 0 309.410 0.285 20 10 DCCDRO COc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(O)c1 ZINC001203628517 772916438 /nfs/dbraw/zinc/91/64/38/772916438.db2.gz BPZSOSWJXJVGOQ-UHFFFAOYSA-N 1 0 305.334 0.575 20 10 DCCDRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(O)cc2O)N1 ZINC001204277903 772944085 /nfs/dbraw/zinc/94/40/85/772944085.db2.gz NYSBYELOMOYAQZ-SOSAQKQKSA-N 1 0 317.345 0.803 20 10 DCCDRO N[C@@H](CC[NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212692 774735638 /nfs/dbraw/zinc/73/56/38/774735638.db2.gz SIEZICDWXRWTPE-NSHDSACASA-N 1 0 308.769 0.886 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCOC2)cc1C ZINC001278054117 945119892 /nfs/dbraw/zinc/11/98/92/945119892.db2.gz OCIMKQJCMNFDEI-HUUCEWRRSA-N 1 0 322.405 0.607 20 10 DCCDRO C[N@H+](CCCO)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001266365323 939097621 /nfs/dbraw/zinc/09/76/21/939097621.db2.gz WHYYPXYIXJYKOW-UHFFFAOYSA-N 1 0 307.354 0.893 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246082939 945334578 /nfs/dbraw/zinc/33/45/78/945334578.db2.gz LTRBVJNBBHXJOK-RTXFEEFZSA-N 1 0 308.378 0.912 20 10 DCCDRO CNC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491474206 944023306 /nfs/dbraw/zinc/02/33/06/944023306.db2.gz SEXBYGFBAIHOJI-LBPRGKRZSA-N 1 0 322.409 0.527 20 10 DCCDRO CN(C)c1ccc([C@@H](O)C(=O)N2C[C@@H]3C[C@H]2C[N@H+](C)C3)cc1 ZINC001272782961 944225754 /nfs/dbraw/zinc/22/57/54/944225754.db2.gz PLWVEXHGRJGMEE-UHOFOFEASA-N 1 0 303.406 0.949 20 10 DCCDRO Oc1cc(CN2CC3(CCN3Cc3cn[nH]c3)C2)cc(O)c1O ZINC001276833313 944320216 /nfs/dbraw/zinc/32/02/16/944320216.db2.gz LPYCRCGEBWASBR-UHFFFAOYSA-N 1 0 316.361 0.987 20 10 DCCDRO COC(=O)Cc1ccc(C[NH+]2CCN(C3COC3)CC2)c(O)c1 ZINC001249174073 945621995 /nfs/dbraw/zinc/62/19/95/945621995.db2.gz YLZXYXRKOJCBKR-UHFFFAOYSA-N 1 0 320.389 0.624 20 10 DCCDRO COC(=O)Cc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC001249178619 945624180 /nfs/dbraw/zinc/62/41/80/945624180.db2.gz SXIIBLCWXGITCK-OAHLLOKOSA-N 1 0 322.405 0.870 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)c1 ZINC001249215226 945624676 /nfs/dbraw/zinc/62/46/76/945624676.db2.gz XDFJDJLIBHNHQR-AWEZNQCLSA-N 1 0 306.362 0.818 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCOC2)cc1C ZINC001320199271 945764772 /nfs/dbraw/zinc/76/47/72/945764772.db2.gz AXOLTUVRDVSGDO-CABCVRRESA-N 1 0 322.405 0.607 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[NH2+]CCN3C)CC2)cc1 ZINC001263092201 947804419 /nfs/dbraw/zinc/80/44/19/947804419.db2.gz KOWHNRIDOPTCPN-MRXNPFEDSA-N 1 0 318.421 0.247 20 10 DCCDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001263096583 947807031 /nfs/dbraw/zinc/80/70/31/947807031.db2.gz WCLSTKKHWODXKJ-JSGCOSHPSA-N 1 0 321.396 0.998 20 10 DCCDRO C[C@@H](NC(=O)C[C@H](O)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001263097925 947808031 /nfs/dbraw/zinc/80/80/31/947808031.db2.gz MPDOHUQJNGZQCU-DOMZBBRYSA-N 1 0 307.394 0.410 20 10 DCCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329566707 949691525 /nfs/dbraw/zinc/69/15/25/949691525.db2.gz UTJHRQKWZIIATF-AWEZNQCLSA-N 1 0 317.389 0.691 20 10 DCCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001330567822 950512749 /nfs/dbraw/zinc/51/27/49/950512749.db2.gz MIAJXVHMGLKTAX-QWRGUYRKSA-N 1 0 303.362 0.430 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC/C=C/C[NH2+]CCO)cc1 ZINC001274631206 951753136 /nfs/dbraw/zinc/75/31/36/951753136.db2.gz JBGZAWRPEBQTEN-YUVMKZSJSA-N 1 0 305.338 0.717 20 10 DCCDRO COc1cc(O)c(C[NH2+]CCC2CS(=O)(=O)C2)cc1OC ZINC001320762791 951790418 /nfs/dbraw/zinc/79/04/18/951790418.db2.gz UOIHCRVXDZUELG-UHFFFAOYSA-N 1 0 315.391 0.934 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001274745253 951819274 /nfs/dbraw/zinc/81/92/74/951819274.db2.gz QWFCQFULKDRCKW-QGZVFWFLSA-N 1 0 319.405 0.891 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1C[NH3+] ZINC001332891382 951838560 /nfs/dbraw/zinc/83/85/60/951838560.db2.gz BPTVICPBVXCMKX-NWDGAFQWSA-N 1 0 317.389 0.678 20 10 DCCDRO Cn1ncnc1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1O)C2 ZINC001275265542 952038077 /nfs/dbraw/zinc/03/80/77/952038077.db2.gz NBZMFBWDVQPYDH-UHFFFAOYSA-N 1 0 313.361 0.479 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CNOC2)[NH+](C)C)cc1 ZINC001336239706 952665052 /nfs/dbraw/zinc/66/50/52/952665052.db2.gz LFAKATJYUHFOJU-HIFRSBDPSA-N 1 0 321.425 0.558 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001337586810 952882497 /nfs/dbraw/zinc/88/24/97/952882497.db2.gz WGLIWANQXNJOPN-FFGGFLGDSA-N 1 0 323.412 0.551 20 10 DCCDRO Cc1cccc(C[NH+]2CC3(CN(CC(=O)N(C)C)C3)C2)c1O ZINC001276080148 952893097 /nfs/dbraw/zinc/89/30/97/952893097.db2.gz JNIWNZNXOUGDCV-UHFFFAOYSA-N 1 0 303.406 0.906 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](O)C[NH3+])C2)cc1 ZINC001341991415 953262857 /nfs/dbraw/zinc/26/28/57/953262857.db2.gz XYZKFMYSOZUZEN-TZMCWYRMSA-N 1 0 307.394 0.347 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343162436 953325842 /nfs/dbraw/zinc/32/58/42/953325842.db2.gz DPZIXFGNYMVJOX-ZDUSSCGKSA-N 1 0 305.378 0.548 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)[C@@H]([NH3+])C(C)(C)O)CC2)cc1 ZINC001343420998 953345073 /nfs/dbraw/zinc/34/50/73/953345073.db2.gz LZMPFIRDIFKHCP-OAHLLOKOSA-N 1 0 321.421 0.878 20 10 DCCDRO NC(=O)[C@@H]1C[NH+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C(N)=O ZINC001353562141 956105022 /nfs/dbraw/zinc/10/50/22/956105022.db2.gz UBCOABLBIJOIRV-HUUCEWRRSA-N 1 0 316.405 0.305 20 10 DCCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001469150538 1016316070 /nfs/dbraw/zinc/31/60/70/1016316070.db2.gz KWNSGTLAPNVDEU-VXGBXAGGSA-N 1 0 308.378 0.554 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000283656220 131011117 /nfs/dbraw/zinc/01/11/17/131011117.db2.gz XZSPLQJMYOOTPU-UHFFFAOYSA-N 1 0 318.421 0.579 20 10 DCCDRO C[NH+](C)C1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000270646715 395793202 /nfs/dbraw/zinc/79/32/02/395793202.db2.gz ZPLKQVHMLWMBOL-UHFFFAOYSA-N 1 0 313.379 0.150 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000279488101 396178508 /nfs/dbraw/zinc/17/85/08/396178508.db2.gz URKJRCRDMQWNMA-HNNXBMFYSA-N 1 0 305.334 0.575 20 10 DCCDRO COc1cc(O)c(C[NH2+][C@H](C)C(=O)NCCF)cc1OC ZINC000282844120 396291919 /nfs/dbraw/zinc/29/19/19/396291919.db2.gz VWFRIEZWPZCHFB-SECBINFHSA-N 1 0 300.330 0.973 20 10 DCCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298448204 416009275 /nfs/dbraw/zinc/00/92/75/416009275.db2.gz HFPGMQAMPCAURS-BLLLJJGKSA-N 1 0 318.421 0.483 20 10 DCCDRO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c(O)c1O ZINC000298698494 416022426 /nfs/dbraw/zinc/02/24/26/416022426.db2.gz VLDMLDRPILUZEQ-LBPRGKRZSA-N 1 0 308.378 0.983 20 10 DCCDRO CCOCc1cc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)ccc1OC ZINC000276540816 529034812 /nfs/dbraw/zinc/03/48/12/529034812.db2.gz XQWYBMJDLZWIJW-CYBMUJFWSA-N 1 0 321.377 0.952 20 10 DCCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000840959143 661251670 /nfs/dbraw/zinc/25/16/70/661251670.db2.gz UTDZZFSJPAQTBA-CYBMUJFWSA-N 1 0 308.378 0.937 20 10 DCCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)cc(OC)n1 ZINC001022367951 657802818 /nfs/dbraw/zinc/80/28/18/657802818.db2.gz NBQQTPSQANGUTK-ZMLRMANQSA-N 1 0 309.366 0.330 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)N2)[NH+](C)C)cc1 ZINC000891250205 658087100 /nfs/dbraw/zinc/08/71/00/658087100.db2.gz VHGKTTFALPXXDV-KGLIPLIRSA-N 1 0 304.394 0.360 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2cnnn2)[NH+](C)C)cc1 ZINC000891255484 658094962 /nfs/dbraw/zinc/09/49/62/658094962.db2.gz QHZHWRUMMQLOQP-AWEZNQCLSA-N 1 0 317.397 0.158 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)CCNC(N)=O)[NH+](C)C)cc1 ZINC000891255462 658095256 /nfs/dbraw/zinc/09/52/56/658095256.db2.gz PUJXEFAELNBZDJ-AWEZNQCLSA-N 1 0 321.425 0.530 20 10 DCCDRO COc1ccc(N2CCN(C(=O)NC[C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000892102686 658187523 /nfs/dbraw/zinc/18/75/23/658187523.db2.gz JIGIAEOXLGMSHJ-GFCCVEGCSA-N 1 0 322.409 0.883 20 10 DCCDRO COc1ccc(C[NH2+]CC(=O)N2CCOCC2)c(O)c1OC ZINC000893310895 659334837 /nfs/dbraw/zinc/33/48/37/659334837.db2.gz UGNJVMFYFXJKBU-UHFFFAOYSA-N 1 0 310.350 0.358 20 10 DCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893900776 661417390 /nfs/dbraw/zinc/41/73/90/661417390.db2.gz QJOWNPYBKBXKGT-UHFFFAOYSA-N 1 0 304.368 0.048 20 10 DCCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1O ZINC000894044114 661428942 /nfs/dbraw/zinc/42/89/42/661428942.db2.gz SVVLIIHBEPBUAE-OAHLLOKOSA-N 1 0 324.421 0.834 20 10 DCCDRO COc1cc(C)cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1O ZINC000894675409 661993078 /nfs/dbraw/zinc/99/30/78/661993078.db2.gz FNHLPWMKFWHIDH-UHFFFAOYSA-N 1 0 314.407 0.879 20 10 DCCDRO COc1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(O)c1OC ZINC000894726849 661997255 /nfs/dbraw/zinc/99/72/55/661997255.db2.gz YDQWQMQWJHTEHE-AOOOYVTPSA-N 1 0 306.318 0.114 20 10 DCCDRO C[NH+](C)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727309028 662151957 /nfs/dbraw/zinc/15/19/57/662151957.db2.gz YCXZJYVLAGALAM-CQSZACIVSA-N 1 0 318.421 0.566 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000895314948 662165943 /nfs/dbraw/zinc/16/59/43/662165943.db2.gz UKQOYKVNFDGEPD-KBPBESRZSA-N 1 0 304.394 0.080 20 10 DCCDRO COc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(O)c1OC ZINC000895830387 662221410 /nfs/dbraw/zinc/22/14/10/662221410.db2.gz ZAJFCFGHRMFZOE-PHIMTYICSA-N 1 0 320.345 0.456 20 10 DCCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(CO)COCCN2C)c1O ZINC000896457429 662272697 /nfs/dbraw/zinc/27/26/97/662272697.db2.gz JFERQAKZTWAWSQ-MRXNPFEDSA-N 1 0 310.394 0.492 20 10 DCCDRO CCc1cccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1O ZINC000897276760 662423130 /nfs/dbraw/zinc/42/31/30/662423130.db2.gz AXUKHXDIXMOXJE-CYBMUJFWSA-N 1 0 311.407 0.289 20 10 DCCDRO C[NH+](C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899473518 663146903 /nfs/dbraw/zinc/14/69/03/663146903.db2.gz UBNHEKUMPNBSHS-UHFFFAOYSA-N 1 0 318.421 0.566 20 10 DCCDRO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(O)c1O ZINC000900810309 663283207 /nfs/dbraw/zinc/28/32/07/663283207.db2.gz GNDOBYWVDHMFFG-YPMHNXCESA-N 1 0 307.394 0.770 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000910994683 663967024 /nfs/dbraw/zinc/96/70/24/663967024.db2.gz XGLFCWXUIUWPHC-CQSZACIVSA-N 1 0 318.421 0.483 20 10 DCCDRO CCn1cc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nn1 ZINC000911668498 664097152 /nfs/dbraw/zinc/09/71/52/664097152.db2.gz YGBVWBHODJIOHJ-HNNXBMFYSA-N 1 0 316.409 0.723 20 10 DCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164542704 664382120 /nfs/dbraw/zinc/38/21/20/664382120.db2.gz RAKJEDWYVXCVNL-LBPRGKRZSA-N 1 0 314.407 0.833 20 10 DCCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC000917960530 665152112 /nfs/dbraw/zinc/15/21/12/665152112.db2.gz QLWNKDWCOGFHPJ-NSHDSACASA-N 1 0 310.373 0.576 20 10 DCCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861767688 666976470 /nfs/dbraw/zinc/97/64/70/666976470.db2.gz QSYSMCBXFAINAG-NEPJUHHUSA-N 1 0 306.410 0.735 20 10 DCCDRO COc1cccc(CNC(=O)NCC[N@@H+]2CCCOCC2)c1O ZINC000838616572 667699439 /nfs/dbraw/zinc/69/94/39/667699439.db2.gz PHQHRCPQYINBSL-UHFFFAOYSA-N 1 0 323.393 0.922 20 10 DCCDRO C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663824 667981702 /nfs/dbraw/zinc/98/17/02/667981702.db2.gz VDOKLCJQDFCJRR-AWEZNQCLSA-N 1 0 320.437 0.961 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCO)cc2)CC1 ZINC000889674790 667982260 /nfs/dbraw/zinc/98/22/60/667982260.db2.gz VQUIIQBWTPGPMY-UHFFFAOYSA-N 1 0 306.410 0.620 20 10 DCCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000754839955 668051850 /nfs/dbraw/zinc/05/18/50/668051850.db2.gz LLLPBOFJARBRRX-INIZCTEOSA-N 1 0 310.369 0.903 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](O)C[C@@H]1C)cc2=O ZINC000761105557 668305290 /nfs/dbraw/zinc/30/52/90/668305290.db2.gz OXTRKADUZOTGLZ-ONGXEEELSA-N 1 0 320.349 0.567 20 10 DCCDRO COc1ccc(N2CC[C@@H](NS(=O)(=O)C3C[NH2+]C3)C2)cc1 ZINC000923653931 668538670 /nfs/dbraw/zinc/53/86/70/668538670.db2.gz CGAGJGVFQSDWNL-LLVKDONJSA-N 1 0 311.407 0.165 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)CN2CC[NH2+]CC2)cc1 ZINC000876949645 668540996 /nfs/dbraw/zinc/54/09/96/668540996.db2.gz UDOBKBUJXNBZSK-UHFFFAOYSA-N 1 0 320.437 0.495 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000768341399 668606112 /nfs/dbraw/zinc/60/61/12/668606112.db2.gz JLJNMUCIUCVREE-NSHDSACASA-N 1 0 314.407 0.914 20 10 DCCDRO O=C1CC2(CN1)CC[NH+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC000768467088 668610743 /nfs/dbraw/zinc/61/07/43/668610743.db2.gz YFUBFNWJIRCEAT-CQSZACIVSA-N 1 0 318.373 0.920 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@@]23COCCN2C(=O)COC3)c1 ZINC000877731914 668643866 /nfs/dbraw/zinc/64/38/66/668643866.db2.gz DARTUGQGHMPVAI-INIZCTEOSA-N 1 0 322.361 0.118 20 10 DCCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769534234 668651689 /nfs/dbraw/zinc/65/16/89/668651689.db2.gz TWQHZGQTVLOKBC-LLVKDONJSA-N 1 0 314.407 0.914 20 10 DCCDRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccccc1O ZINC000783517706 669159629 /nfs/dbraw/zinc/15/96/29/669159629.db2.gz JMCMHOAHEPAVOL-GFCCVEGCSA-N 1 0 314.407 0.705 20 10 DCCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO ZINC000931398493 669191530 /nfs/dbraw/zinc/19/15/30/669191530.db2.gz PWMARTMASCMVTL-KRWDZBQOSA-N 1 0 305.422 0.632 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCNC(N)=O)cc2)CC1 ZINC000881849454 669397613 /nfs/dbraw/zinc/39/76/13/669397613.db2.gz NZIBIIKKRGGXRD-UHFFFAOYSA-N 1 0 319.409 0.113 20 10 DCCDRO Cn1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881853805 669399472 /nfs/dbraw/zinc/39/94/72/669399472.db2.gz KZTCYRWJVIHPTC-UHFFFAOYSA-N 1 0 314.393 0.497 20 10 DCCDRO COc1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000794390725 669830566 /nfs/dbraw/zinc/83/05/66/669830566.db2.gz PEAFVMKZKFCGMW-LBPRGKRZSA-N 1 0 308.378 0.985 20 10 DCCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000797414473 669967587 /nfs/dbraw/zinc/96/75/87/669967587.db2.gz AWMSLCSQUABTAR-XJKSGUPXSA-N 1 0 306.362 0.776 20 10 DCCDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000799157250 670045898 /nfs/dbraw/zinc/04/58/98/670045898.db2.gz QZMNWYFISTXLTC-WFASDCNBSA-N 1 0 317.389 0.979 20 10 DCCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849328093 670777320 /nfs/dbraw/zinc/77/73/20/670777320.db2.gz ZPNSCMNLSPZKCW-HNNXBMFYSA-N 1 0 312.435 0.782 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)CC[NH3+])cc1 ZINC000817921611 670953567 /nfs/dbraw/zinc/95/35/67/670953567.db2.gz CZLGSULBWIESHD-UHFFFAOYSA-N 1 0 320.437 0.908 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)COC3(C)C[NH2+]C3)C2)cc1 ZINC000851640162 671002754 /nfs/dbraw/zinc/00/27/54/671002754.db2.gz RMALJVXJGNVPQZ-CYBMUJFWSA-N 1 0 319.405 0.769 20 10 DCCDRO CC[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccccc1O ZINC000858569339 671016879 /nfs/dbraw/zinc/01/68/79/671016879.db2.gz DWDJKZMTKQTKIR-ZDUSSCGKSA-N 1 0 313.423 0.924 20 10 DCCDRO C[C@H]([NH2+]CCC(=O)NC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000818978179 671082494 /nfs/dbraw/zinc/08/24/94/671082494.db2.gz FDXSBSVDWJAMTD-LBPRGKRZSA-N 1 0 320.393 0.759 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)ccc21 ZINC000852863893 671178361 /nfs/dbraw/zinc/17/83/61/671178361.db2.gz SWZYCXFALAYSQT-CYBMUJFWSA-N 1 0 302.378 0.789 20 10 DCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666812 671558140 /nfs/dbraw/zinc/55/81/40/671558140.db2.gz IXKDCSRKDHOPLJ-JOYOIKCWSA-N 1 0 310.350 0.859 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278134 671713210 /nfs/dbraw/zinc/71/32/10/671713210.db2.gz AVRKBFVFXPBAEG-BFHYXJOUSA-N 1 0 305.378 0.678 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)c2cnn(C)c2)cc1 ZINC000832278487 671713272 /nfs/dbraw/zinc/71/32/72/671713272.db2.gz CXFPPWYFYMMMIQ-AWEZNQCLSA-N 1 0 315.377 0.485 20 10 DCCDRO COCC[NH2+]CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841048697 671909954 /nfs/dbraw/zinc/90/99/54/671909954.db2.gz RTIORYQTSHJXGL-UHFFFAOYSA-N 1 0 311.401 0.988 20 10 DCCDRO Nc1ccc(CCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000841956170 671969308 /nfs/dbraw/zinc/96/93/08/671969308.db2.gz XJMRVKPBDOUVDF-INIZCTEOSA-N 1 0 320.437 0.957 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000842012575 671974176 /nfs/dbraw/zinc/97/41/76/671974176.db2.gz ZFOMDGAIVQASEZ-OAHLLOKOSA-N 1 0 306.410 0.882 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCC[NH3+] ZINC000842070978 671980872 /nfs/dbraw/zinc/98/08/72/671980872.db2.gz VQVJVFDGSJXHPP-LBPRGKRZSA-N 1 0 306.410 0.183 20 10 DCCDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149570 671985685 /nfs/dbraw/zinc/98/56/85/671985685.db2.gz ARZMGHYWDYSMRV-GFCCVEGCSA-N 1 0 318.421 0.539 20 10 DCCDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842154863 671986934 /nfs/dbraw/zinc/98/69/34/671986934.db2.gz XPRXQQIMWCUHCC-UHFFFAOYSA-N 1 0 320.437 0.745 20 10 DCCDRO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842202737 671994122 /nfs/dbraw/zinc/99/41/22/671994122.db2.gz KYMGRWBRGJBQBE-VXGBXAGGSA-N 1 0 306.410 0.783 20 10 DCCDRO CC[N@H+](CCNC(=O)C(=O)NCCc1ccc(N)cc1)C(C)C ZINC000842236551 671998695 /nfs/dbraw/zinc/99/86/95/671998695.db2.gz PQFGMDUTUUBUQP-UHFFFAOYSA-N 1 0 320.437 0.774 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842255442 672000772 /nfs/dbraw/zinc/00/07/72/672000772.db2.gz UWWIIYTZDJCFQN-LBPRGKRZSA-N 1 0 307.394 0.984 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c1O ZINC000843065536 672058136 /nfs/dbraw/zinc/05/81/36/672058136.db2.gz MXAIVYFISNVNAJ-AWEZNQCLSA-N 1 0 319.405 0.797 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000843258198 672075501 /nfs/dbraw/zinc/07/55/01/672075501.db2.gz AFPZKOCNUYNIJF-OLZOCXBDSA-N 1 0 320.437 0.919 20 10 DCCDRO COC(=O)C1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000843299754 672080534 /nfs/dbraw/zinc/08/05/34/672080534.db2.gz ZKAYXXHCLWBVKH-ZDUSSCGKSA-N 1 0 305.378 0.822 20 10 DCCDRO CCNC(=O)CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299446 672080548 /nfs/dbraw/zinc/08/05/48/672080548.db2.gz UOOKBVRNWPKUFR-AWEZNQCLSA-N 1 0 306.410 0.785 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000844225153 672166027 /nfs/dbraw/zinc/16/60/27/672166027.db2.gz KQKVXABLLGWXEH-ZBFHGGJFSA-N 1 0 302.422 0.663 20 10 DCCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCC(=O)NC2=O)cc1 ZINC000844402169 672179536 /nfs/dbraw/zinc/17/95/36/672179536.db2.gz VVQOXBZPKUSPKN-CQSZACIVSA-N 1 0 305.378 0.868 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1O ZINC000846172639 672299019 /nfs/dbraw/zinc/29/90/19/672299019.db2.gz ZTEHTRFHLQWNNT-HZMBPMFUSA-N 1 0 315.391 0.601 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@H](C)[NH3+])cc1 ZINC000846345647 672309132 /nfs/dbraw/zinc/30/91/32/672309132.db2.gz WRVOIZXRPLFOPR-LBPRGKRZSA-N 1 0 322.409 0.053 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC(N)=O)C2)cc1C ZINC000968123912 690172561 /nfs/dbraw/zinc/17/25/61/690172561.db2.gz NHGSJRBOMSJXMG-CYBMUJFWSA-N 1 0 305.378 0.570 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCO)C2)cc(OC)n1 ZINC001007795323 690750762 /nfs/dbraw/zinc/75/07/62/690750762.db2.gz ZAGBXZZGQQJOQP-GFCCVEGCSA-N 1 0 309.366 0.285 20 10 DCCDRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001567081600 1160232805 /nfs/dbraw/zinc/23/28/05/1160232805.db2.gz VEVMDUJKXLFBMJ-UHFFFAOYSA-N 1 0 308.378 0.555 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CNC(=O)N2)cc1C ZINC001567553687 1160418489 /nfs/dbraw/zinc/41/84/89/1160418489.db2.gz VOWFOSXNTSRXFG-ZDUSSCGKSA-N 1 0 320.393 0.233 20 10 DCCDRO O=C(NCc1ccc(O)cc1O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001580713939 1165695998 /nfs/dbraw/zinc/69/59/98/1165695998.db2.gz NQUMHIHNCVITCO-JTQLQIEISA-N 1 0 302.334 0.828 20 10 DCCDRO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C[NH+]1CCN(C)CC1 ZINC001585137201 1166403172 /nfs/dbraw/zinc/40/31/72/1166403172.db2.gz IBPJWIPHHXFBFY-CYBMUJFWSA-N 1 0 321.421 0.640 20 10 DCCDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001596656840 1167995081 /nfs/dbraw/zinc/99/50/81/1167995081.db2.gz VHEPTIYXJLENSH-ZDUSSCGKSA-N 1 0 308.378 0.555 20 10 DCCDRO COc1cc(C)c(C[NH2+]CCNC(=O)c2ccn[nH]2)c(O)c1 ZINC001621198187 1171407362 /nfs/dbraw/zinc/40/73/62/1171407362.db2.gz ZPNLIDZFISRWBV-UHFFFAOYSA-N 1 0 304.350 0.952 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)C2(O)COC2)[NH+](C)C)cc1 ZINC001648477726 1173075946 /nfs/dbraw/zinc/07/59/46/1173075946.db2.gz BDEQYMASEVHNKN-AWEZNQCLSA-N 1 0 307.394 0.233 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cocn2)cc1C ZINC001667796037 1174712808 /nfs/dbraw/zinc/71/28/08/1174712808.db2.gz PYWREQQIIWCCLG-CYBMUJFWSA-N 1 0 319.361 0.872 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC(N)=O)C2)cc1C ZINC001731440504 1185333439 /nfs/dbraw/zinc/33/34/39/1185333439.db2.gz NLKDYSHNYKKQTC-JOCQHMNTSA-N 1 0 305.378 0.616 20 10 DCCDRO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCO ZINC001731638962 1185423320 /nfs/dbraw/zinc/42/33/20/1185423320.db2.gz MCEMLGVFEBPGIF-JTQLQIEISA-N 1 0 307.354 0.939 20 10 DCCDRO C[C@]1([NH3+])CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001204801838 749388042 /nfs/dbraw/zinc/38/80/42/749388042.db2.gz VMDHVBHVXXJHEC-INIZCTEOSA-N 1 0 323.462 0.845 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CNC(=O)C2CC2)cc1C ZINC001124108207 768134709 /nfs/dbraw/zinc/13/47/09/768134709.db2.gz XJNWENYOKOJNKJ-UHFFFAOYSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)CC(N)=O)cc1C ZINC001132345559 764399938 /nfs/dbraw/zinc/39/99/38/764399938.db2.gz RQADKJFIKBKNHN-LBPRGKRZSA-N 1 0 307.394 0.721 20 10 DCCDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001118976434 766493305 /nfs/dbraw/zinc/49/33/05/766493305.db2.gz PMHKIMIBCQBILL-LLVKDONJSA-N 1 0 303.362 0.432 20 10 DCCDRO CC(C)N(C(=O)CN1C(=O)CSC1=S)C(C)(C)C[NH3+] ZINC001144852744 767066596 /nfs/dbraw/zinc/06/65/96/767066596.db2.gz HRZWXTIUXYOECH-UHFFFAOYSA-N 1 0 303.453 0.821 20 10 DCCDRO COc1cc(CN2CCN(C(N)=O)CC2)cc(C[NH+](C)C)c1O ZINC001139256769 768464010 /nfs/dbraw/zinc/46/40/10/768464010.db2.gz KBAKERVKBAHXKX-UHFFFAOYSA-N 1 0 322.409 0.659 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140620295 768536889 /nfs/dbraw/zinc/53/68/89/768536889.db2.gz JCSYVSLZIICDMR-KRWDZBQOSA-N 1 0 317.389 0.623 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141158836 768569963 /nfs/dbraw/zinc/56/99/63/768569963.db2.gz ONJWJQQGCUAEMY-INIZCTEOSA-N 1 0 319.361 0.021 20 10 DCCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c(O)c1 ZINC001232836908 769336201 /nfs/dbraw/zinc/33/62/01/769336201.db2.gz WEZGQWWDHLXOPY-UHFFFAOYSA-N 1 0 319.405 0.939 20 10 DCCDRO COC[C@H](O)C[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047475 769703028 /nfs/dbraw/zinc/70/30/28/769703028.db2.gz FQICAOAZRNTNBW-GFCCVEGCSA-N 1 0 323.353 0.176 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)c(OC)cc2O)C[C@@H]1[NH3+] ZINC001236348317 770001753 /nfs/dbraw/zinc/00/17/53/770001753.db2.gz CJORHHVHFCOPCK-ONGXEEELSA-N 1 0 314.769 0.986 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1[NH3+] ZINC001236348833 770002598 /nfs/dbraw/zinc/00/25/98/770002598.db2.gz FFMOEIKTLVVHTE-QWRGUYRKSA-N 1 0 310.350 0.342 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CC(C(N)=O)C3)c(F)c2)CC1 ZINC001236934095 770024232 /nfs/dbraw/zinc/02/42/32/770024232.db2.gz CKYKTZOZQRYHFW-UHFFFAOYSA-N 1 0 306.385 0.495 20 10 DCCDRO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209053 770033433 /nfs/dbraw/zinc/03/34/33/770033433.db2.gz UDMSSMMYVDKNBZ-MRXNPFEDSA-N 1 0 324.446 0.878 20 10 DCCDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924480 772138641 /nfs/dbraw/zinc/13/86/41/772138641.db2.gz KIKOISVTICTXKD-CYBMUJFWSA-N 1 0 306.362 0.751 20 10 DCCDRO CN(C)C(=O)CO[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H]2COC[C@H]12 ZINC001203551752 772913524 /nfs/dbraw/zinc/91/35/24/772913524.db2.gz MMFKWNGHPZIJHF-SQWLQELKSA-N 1 0 320.389 0.696 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCNC2=O)cc1C ZINC001266800124 939239686 /nfs/dbraw/zinc/23/96/86/939239686.db2.gz NFKRHIBDLQBCAN-CQSZACIVSA-N 1 0 319.405 0.688 20 10 DCCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)CC(N)=O)cc1C ZINC001268521453 940213543 /nfs/dbraw/zinc/21/35/43/940213543.db2.gz FJTVYGMKZBSMMR-ONEGZZNKSA-N 1 0 305.378 0.641 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ncc[nH]2)cc1C ZINC001272406800 942738389 /nfs/dbraw/zinc/73/83/89/942738389.db2.gz QCKZAFVCBYBMJD-CYBMUJFWSA-N 1 0 318.377 0.607 20 10 DCCDRO O=C(NCC1COC1)[C@@H]1CC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277657937 944931664 /nfs/dbraw/zinc/93/16/64/944931664.db2.gz UYOGGFCYDNRJGA-AWEZNQCLSA-N 1 0 318.373 0.682 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+]CC[C@@H](C)NC(C)=O)cc1 ZINC001320318642 945821837 /nfs/dbraw/zinc/82/18/37/945821837.db2.gz QOXHPOFDWLLGOH-LLVKDONJSA-N 1 0 318.381 0.675 20 10 DCCDRO Cc1ncc(C[NH3+])c(=N)n1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689736 947889448 /nfs/dbraw/zinc/88/94/48/947889448.db2.gz XJMNEIRQRRFEEE-HIUDMYJQSA-N 1 0 300.318 0.894 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@H](C)C[NH2+]1 ZINC001325735441 947903523 /nfs/dbraw/zinc/90/35/23/947903523.db2.gz FGTSUTYQGOXKSF-VXGBXAGGSA-N 1 0 305.378 0.559 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001325747119 947909511 /nfs/dbraw/zinc/90/95/11/947909511.db2.gz QFYVHTMDVRZOSE-UHFFFAOYSA-N 1 0 315.391 0.430 20 10 DCCDRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@@H]1C[NH3+] ZINC001326472111 948174920 /nfs/dbraw/zinc/17/49/20/948174920.db2.gz JIOZIQYPTDWRJZ-GXTWGEPZSA-N 1 0 319.405 0.936 20 10 DCCDRO CN1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1=O ZINC001327212653 948422485 /nfs/dbraw/zinc/42/24/85/948422485.db2.gz HURSQZYDTYZNFX-AWEZNQCLSA-N 1 0 320.412 0.898 20 10 DCCDRO COc1cc(N(C)CC(=O)N2CC[NH2+]CC2)cc(OC)c1OC ZINC001328490541 948921816 /nfs/dbraw/zinc/92/18/16/948921816.db2.gz SZKOBDCZRRPSEO-UHFFFAOYSA-N 1 0 323.393 0.580 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001332135734 951494833 /nfs/dbraw/zinc/49/48/33/951494833.db2.gz KIDPKFCKMRBWFU-UONOGXRCSA-N 1 0 317.389 0.704 20 10 DCCDRO CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275419392 952133490 /nfs/dbraw/zinc/13/34/90/952133490.db2.gz XGQNOMWTJIYOEV-UHFFFAOYSA-N 1 0 305.378 0.304 20 10 DCCDRO C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001276009377 952616945 /nfs/dbraw/zinc/61/69/45/952616945.db2.gz QRHNKFRYRPVAQQ-UHFFFAOYSA-N 1 0 319.405 0.912 20 10 DCCDRO [NH3+]C[C@H](O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001340319040 953161261 /nfs/dbraw/zinc/16/12/61/953161261.db2.gz FOWBLLJOZRHFRI-ZIAGYGMSSA-N 1 0 308.378 0.610 20 10 DCCDRO [NH3+]CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC(O)C1 ZINC001340807119 953195879 /nfs/dbraw/zinc/19/58/79/953195879.db2.gz HJGSRBANSDAAHU-UHFFFAOYSA-N 1 0 319.405 0.239 20 10 DCCDRO COc1ccc(CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001341082090 953210298 /nfs/dbraw/zinc/21/02/98/953210298.db2.gz YACPVAOSQQMGAB-MRXNPFEDSA-N 1 0 319.361 0.916 20 10 DCCDRO [NH3+]CCN1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1=O ZINC001342538027 953294278 /nfs/dbraw/zinc/29/42/78/953294278.db2.gz VUQLCDGQVYWEMV-SNVBAGLBSA-N 1 0 309.341 0.345 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343162434 953326595 /nfs/dbraw/zinc/32/65/95/953326595.db2.gz DPZIXFGNYMVJOX-CYBMUJFWSA-N 1 0 305.378 0.548 20 10 DCCDRO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC001346049463 953793260 /nfs/dbraw/zinc/79/32/60/953793260.db2.gz ZYJZSDTULFMHKN-CYBMUJFWSA-N 1 0 317.389 0.883 20 10 DCCDRO COc1ccc(C[NH2+]CCCc2nnnn2C)c(O)c1OC ZINC001352097198 955513544 /nfs/dbraw/zinc/51/35/44/955513544.db2.gz BDXLKBHWJIUEIP-UHFFFAOYSA-N 1 0 307.354 0.655 20 10 DCCDRO [NH3+]CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC(O)C1 ZINC001357516836 957308212 /nfs/dbraw/zinc/30/82/12/957308212.db2.gz KPYBTDJQIDSYMI-UHFFFAOYSA-N 1 0 304.390 0.987 20 10 DCCDRO COc1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccn2)c(O)c1 ZINC001357599707 957326822 /nfs/dbraw/zinc/32/68/22/957326822.db2.gz DSLREVMHLJZXIP-CQSZACIVSA-N 1 0 301.346 0.982 20 10 DCCDRO O=C1NC(=O)[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2O)N1 ZINC001308752201 960184605 /nfs/dbraw/zinc/18/46/05/960184605.db2.gz YXWLMGSMVQEKKK-MEBBXXQBSA-N 1 0 307.325 0.999 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001472257952 1016776509 /nfs/dbraw/zinc/77/65/09/1016776509.db2.gz AWZZCUGKEXRAMY-ZIAGYGMSSA-N 1 0 320.389 0.698 20 10 DCCDRO COc1cc(C)c(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c(O)c1 ZINC001560925188 1012459060 /nfs/dbraw/zinc/45/90/60/1012459060.db2.gz DXBSDHRKPJKLCA-JSGCOSHPSA-N 1 0 315.391 0.611 20 10 DCCDRO COc1cc(C)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c(O)c1 ZINC001560925189 1012459127 /nfs/dbraw/zinc/45/91/27/1012459127.db2.gz DXBSDHRKPJKLCA-OCCSQVGLSA-N 1 0 315.391 0.611 20 10 DCCDRO COCCNC(=O)CN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179615936 237250177 /nfs/dbraw/zinc/25/01/77/237250177.db2.gz PLMONSOSNHDKAX-UHFFFAOYSA-N 1 0 321.421 0.581 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000372737383 533476366 /nfs/dbraw/zinc/47/63/66/533476366.db2.gz IHITXFOXLXOZDG-LLVKDONJSA-N 1 0 300.380 0.654 20 10 DCCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000272882741 130070727 /nfs/dbraw/zinc/07/07/27/130070727.db2.gz YALAFAZXJRYUQN-UHFFFAOYSA-N 1 0 302.378 0.927 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000289427095 131385627 /nfs/dbraw/zinc/38/56/27/131385627.db2.gz KCADMMPJMWMYGJ-UHFFFAOYSA-N 1 0 319.361 0.917 20 10 DCCDRO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccccc1O ZINC000109772272 395799284 /nfs/dbraw/zinc/79/92/84/395799284.db2.gz HUOOKUCNLJILFM-LBPRGKRZSA-N 1 0 319.405 0.936 20 10 DCCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(OC)ccc1O ZINC000295012821 415876825 /nfs/dbraw/zinc/87/68/25/415876825.db2.gz JRJPPZMBPQIWLH-NSHDSACASA-N 1 0 302.396 0.818 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)C1CC1)cc2=O ZINC000298756376 416027908 /nfs/dbraw/zinc/02/79/08/416027908.db2.gz NYCGTJUVEXKEFZ-UHFFFAOYSA-N 1 0 320.349 0.568 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC(S(N)(=O)=O)CC2)c1 ZINC000369055046 534199782 /nfs/dbraw/zinc/19/97/82/534199782.db2.gz ZRYOQOKCRKEEKL-UHFFFAOYSA-N 1 0 300.380 0.654 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH2+]CCO)C2)cc(OC)n1 ZINC000981199421 661099207 /nfs/dbraw/zinc/09/92/07/661099207.db2.gz PWDBSXJSXJCKEI-STQMWFEESA-N 1 0 323.393 0.722 20 10 DCCDRO NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970838391 657970408 /nfs/dbraw/zinc/97/04/08/657970408.db2.gz YMICNIIWXQOZHJ-LLVKDONJSA-N 1 0 318.337 0.138 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[NH+](C)C)cc1 ZINC000891247833 658082085 /nfs/dbraw/zinc/08/20/85/658082085.db2.gz VOICWKQJPRGLRN-LSDHHAIUSA-N 1 0 318.421 0.750 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CC(N)=O)C2)cc1C ZINC001026743798 659499141 /nfs/dbraw/zinc/49/91/41/659499141.db2.gz WEPAHGXPWITQOO-CQSZACIVSA-N 1 0 319.405 0.817 20 10 DCCDRO CN(CC(=O)N1CCOCC1)Cc1cc(F)cc(F)c1[O-] ZINC000893902792 661417272 /nfs/dbraw/zinc/41/72/72/661417272.db2.gz XABYMZXIACBKPB-UHFFFAOYSA-N 1 0 300.305 0.961 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCC(=O)N2CCN(C)CC2)c1O ZINC000894238506 661702529 /nfs/dbraw/zinc/70/25/29/661702529.db2.gz SKIGAVYXTJHHAB-UHFFFAOYSA-N 1 0 321.421 0.963 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000894460184 661972016 /nfs/dbraw/zinc/97/20/16/661972016.db2.gz IFIZXMWWHORLGR-GFCCVEGCSA-N 1 0 314.407 0.962 20 10 DCCDRO C[NH+](C)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727309026 662152000 /nfs/dbraw/zinc/15/20/00/662152000.db2.gz YCXZJYVLAGALAM-AWEZNQCLSA-N 1 0 318.421 0.566 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897054725 662387074 /nfs/dbraw/zinc/38/70/74/662387074.db2.gz ZXOAMMHFLFZMPU-NSHDSACASA-N 1 0 314.407 0.820 20 10 DCCDRO CCOC(=O)N1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@@H](CO)C1 ZINC000898359306 662948933 /nfs/dbraw/zinc/94/89/33/662948933.db2.gz OVGPAHIQBDXHPX-OLZOCXBDSA-N 1 0 324.377 0.940 20 10 DCCDRO C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900813384 663284314 /nfs/dbraw/zinc/28/43/14/663284314.db2.gz YOPXFMJITVUFMC-MHQJXXKBSA-N 1 0 319.405 0.862 20 10 DCCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)N(C)C)[NH+](C)C)cc1 ZINC000908458458 663757258 /nfs/dbraw/zinc/75/72/58/663757258.db2.gz VREWJKHRYKLFLD-CQSZACIVSA-N 1 0 314.455 0.751 20 10 DCCDRO COc1cc(C)cc(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC000164315312 664373023 /nfs/dbraw/zinc/37/30/23/664373023.db2.gz GXLFJXSLAHFPOE-UHFFFAOYSA-N 1 0 308.378 1.000 20 10 DCCDRO CC[C@H](CO)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000916571904 665072923 /nfs/dbraw/zinc/07/29/23/665072923.db2.gz PIXAFICXNSEGJM-CQSZACIVSA-N 1 0 321.421 0.704 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1F ZINC000861568268 666945412 /nfs/dbraw/zinc/94/54/12/666945412.db2.gz RYVUIEVMUHJKHN-GFCCVEGCSA-N 1 0 310.373 0.679 20 10 DCCDRO COc1cc(O)c(CN2CCO[C@@H](CC(N)=O)C2)cc1OC ZINC000862535283 667047373 /nfs/dbraw/zinc/04/73/73/667047373.db2.gz HYMMQGZVNPOYFH-NSHDSACASA-N 1 0 310.350 0.486 20 10 DCCDRO C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000927033281 668445780 /nfs/dbraw/zinc/44/57/80/668445780.db2.gz OOWJEPBPXDJNFU-RISCZKNCSA-N 1 0 300.424 0.809 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000876949274 668540708 /nfs/dbraw/zinc/54/07/08/668540708.db2.gz QJYUYDXODNLRIP-LSDHHAIUSA-N 1 0 307.394 0.706 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)C[NH+](C)C)cc1 ZINC000876949648 668540791 /nfs/dbraw/zinc/54/07/91/668540791.db2.gz UEFNDYVOIKSSKK-HNNXBMFYSA-N 1 0 308.426 0.479 20 10 DCCDRO C[NH+](C)C[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876976061 668546556 /nfs/dbraw/zinc/54/65/56/668546556.db2.gz MQDQCGXQGAKEDN-INIZCTEOSA-N 1 0 320.437 0.153 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877594722 668631907 /nfs/dbraw/zinc/63/19/07/668631907.db2.gz XYSBTCBANAUZSX-ZDUSSCGKSA-N 1 0 306.362 0.954 20 10 DCCDRO COc1cccc(O)c1C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000877669012 668638241 /nfs/dbraw/zinc/63/82/41/668638241.db2.gz SWJIANHXUYKWLL-HOTGVXAUSA-N 1 0 304.346 0.885 20 10 DCCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(O)c1 ZINC000877719616 668642539 /nfs/dbraw/zinc/64/25/39/668642539.db2.gz BMXDPMHSYLIERX-BETUJISGSA-N 1 0 304.346 0.838 20 10 DCCDRO Cn1nnnc1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877922961 668659822 /nfs/dbraw/zinc/65/98/22/668659822.db2.gz ICHGHTSJMLLNSS-UHFFFAOYSA-N 1 0 316.409 0.721 20 10 DCCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000770332479 668688510 /nfs/dbraw/zinc/68/85/10/668688510.db2.gz ZWJLDLGOWWMURX-OAHLLOKOSA-N 1 0 323.345 0.867 20 10 DCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000770387884 668690565 /nfs/dbraw/zinc/69/05/65/668690565.db2.gz QLPPHUFECPELJA-JTQLQIEISA-N 1 0 300.380 0.524 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000785986769 669284426 /nfs/dbraw/zinc/28/44/26/669284426.db2.gz XNXGGEYHZYZNIS-UHFFFAOYSA-N 1 0 300.380 0.654 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785984526 669284613 /nfs/dbraw/zinc/28/46/13/669284613.db2.gz IJUBNXUOQKAZCK-LLVKDONJSA-N 1 0 300.380 0.654 20 10 DCCDRO COC[C@@H](OC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855189 669399946 /nfs/dbraw/zinc/39/99/46/669399946.db2.gz RFRYAXLKCOBBKA-MRXNPFEDSA-N 1 0 321.421 0.716 20 10 DCCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1F ZINC000858178265 670976933 /nfs/dbraw/zinc/97/69/33/670976933.db2.gz TYAHHTXSCSYYRI-LLVKDONJSA-N 1 0 311.336 0.773 20 10 DCCDRO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cc(F)ccc1O ZINC000858569482 671016892 /nfs/dbraw/zinc/01/68/92/671016892.db2.gz IPAPWELQVCLKCM-SECBINFHSA-N 1 0 317.386 0.673 20 10 DCCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)CN1CCOCC1 ZINC000819095772 671094955 /nfs/dbraw/zinc/09/49/55/671094955.db2.gz UDJIJCZZJFVVMN-SFHVURJKSA-N 1 0 317.433 0.846 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1F ZINC000852746660 671155038 /nfs/dbraw/zinc/15/50/38/671155038.db2.gz NZKCEHTXYTVLGN-AWEZNQCLSA-N 1 0 309.385 0.945 20 10 DCCDRO [NH3+]CCn1cc(C(=O)NCCCSc2nccs2)nn1 ZINC000852805636 671162746 /nfs/dbraw/zinc/16/27/46/671162746.db2.gz HCCSHHNEPBTMOG-UHFFFAOYSA-N 1 0 312.424 0.606 20 10 DCCDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(F)ccc(O)c1O ZINC000825643740 671468554 /nfs/dbraw/zinc/46/85/54/671468554.db2.gz KCVGUFDPGMVSOW-UWVGGRQHSA-N 1 0 310.325 0.830 20 10 DCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666810 671558063 /nfs/dbraw/zinc/55/80/63/671558063.db2.gz IXKDCSRKDHOPLJ-BXKDBHETSA-N 1 0 310.350 0.859 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2nnc[nH]2)cc1 ZINC000832267638 671712739 /nfs/dbraw/zinc/71/27/39/671712739.db2.gz YDVOJEQVHWCWSU-CYBMUJFWSA-N 1 0 302.382 0.620 20 10 DCCDRO CCC(=O)N[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292414 671713571 /nfs/dbraw/zinc/71/35/71/671713571.db2.gz GVHAQJYATOIQFI-BXUZGUMPSA-N 1 0 306.410 0.783 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccn(C)n2)cc1 ZINC000832285122 671713600 /nfs/dbraw/zinc/71/36/00/671713600.db2.gz OFVAKRSZNYWIQT-OAHLLOKOSA-N 1 0 301.394 0.845 20 10 DCCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000832300538 671713789 /nfs/dbraw/zinc/71/37/89/671713789.db2.gz YPYWUJMLGDKSMM-ZWNOBZJWSA-N 1 0 313.423 0.302 20 10 DCCDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c(F)ccc(O)c1O ZINC000833560003 671748684 /nfs/dbraw/zinc/74/86/84/671748684.db2.gz YNOMWEIAYZTZHK-JTQLQIEISA-N 1 0 312.341 0.814 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000842153973 671987059 /nfs/dbraw/zinc/98/70/59/671987059.db2.gz QYRILYSIFWFOLP-IUODEOHRSA-N 1 0 318.421 0.483 20 10 DCCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842185406 671991035 /nfs/dbraw/zinc/99/10/35/671991035.db2.gz FVXFOHIHKXGOJT-CYBMUJFWSA-N 1 0 320.437 0.774 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000842233919 671998252 /nfs/dbraw/zinc/99/82/52/671998252.db2.gz JQKMQELMWKPWSJ-UHFFFAOYSA-N 1 0 319.405 0.999 20 10 DCCDRO CCCNS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785378 672036654 /nfs/dbraw/zinc/03/66/54/672036654.db2.gz LSLWMMNQISILFW-ZDUSSCGKSA-N 1 0 300.428 0.586 20 10 DCCDRO CNC(=O)Cc1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350759 672085944 /nfs/dbraw/zinc/08/59/44/672085944.db2.gz UQBUZIJOBZTVBV-UHFFFAOYSA-N 1 0 315.377 0.770 20 10 DCCDRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000844220684 672164798 /nfs/dbraw/zinc/16/47/98/672164798.db2.gz JPEYUNZDSPJDPA-CZUORRHYSA-N 1 0 320.437 0.417 20 10 DCCDRO CCOc1ccc(O)c(C[N@H+](CCO)CCN2CCOCC2)c1 ZINC000092186706 685107446 /nfs/dbraw/zinc/10/74/46/685107446.db2.gz JYAVESYWVAPMQP-UHFFFAOYSA-N 1 0 324.421 0.917 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1O ZINC001138337611 1159060295 /nfs/dbraw/zinc/06/02/95/1159060295.db2.gz BQCJGIUYOGVTFM-ZBFHGGJFSA-N 1 0 318.417 0.876 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2cn[nH]n2)cc1C ZINC001567524586 1160407544 /nfs/dbraw/zinc/40/75/44/1160407544.db2.gz XQZXXNVYLTWRKR-UHFFFAOYSA-N 1 0 303.366 0.984 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1 ZINC001578424269 1165009830 /nfs/dbraw/zinc/00/98/30/1165009830.db2.gz CFLHKIVYNAUEBR-VNHYZAJKSA-N 1 0 318.421 0.770 20 10 DCCDRO O=C(NCc1cc(O)ccc1O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001580710855 1165693375 /nfs/dbraw/zinc/69/33/75/1165693375.db2.gz FXLCTWRQGLEVGG-SECBINFHSA-N 1 0 302.334 0.828 20 10 DCCDRO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O ZINC001593873724 1167963201 /nfs/dbraw/zinc/96/32/01/1167963201.db2.gz YLRJGQYDFSDMMV-LBPRGKRZSA-N 1 0 321.377 0.124 20 10 DCCDRO Cc1ccc(C(=O)NC2(CCO)CC[NH+](C)CC2)c(O)c1O ZINC001633284420 1171637963 /nfs/dbraw/zinc/63/79/63/1171637963.db2.gz HCRXZHMHINVZKQ-UHFFFAOYSA-N 1 0 308.378 0.983 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(O)c1 ZINC001652145970 1173762503 /nfs/dbraw/zinc/76/25/03/1173762503.db2.gz AJQKREFMFHUZMZ-GFCCVEGCSA-N 1 0 314.407 0.962 20 10 DCCDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001119420351 766670834 /nfs/dbraw/zinc/67/08/34/766670834.db2.gz GJFIUSWVRBIKDH-NWDGAFQWSA-N 1 0 303.362 0.621 20 10 DCCDRO COc1ccc(C[NH2+]CCC2CS(=O)(=O)C2)c(O)c1OC ZINC001120039500 766887826 /nfs/dbraw/zinc/88/78/26/766887826.db2.gz HTPKNKPLRPSERN-UHFFFAOYSA-N 1 0 315.391 0.934 20 10 DCCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233014123 769343562 /nfs/dbraw/zinc/34/35/62/769343562.db2.gz LQYJZCQDELJRCM-BONVTDFDSA-N 1 0 309.318 0.425 20 10 DCCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)cc1O ZINC001173735429 769705421 /nfs/dbraw/zinc/70/54/21/769705421.db2.gz SXJVCGXERVMLHJ-JMSVASOKSA-N 1 0 319.365 0.891 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@H]1[NH3+] ZINC001236361929 770007795 /nfs/dbraw/zinc/00/77/95/770007795.db2.gz YBHJDKGHVCXWCE-WCBMZHEXSA-N 1 0 300.742 0.683 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CC(=O)N2CCN(C)CC2)cc1F ZINC001177525089 770470673 /nfs/dbraw/zinc/47/06/73/770470673.db2.gz NGQHPDIIDAPTRX-UHFFFAOYSA-N 1 0 308.401 0.755 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204278740 771165774 /nfs/dbraw/zinc/16/57/74/771165774.db2.gz JKYYXFHFGOGBRJ-VXGBXAGGSA-N 1 0 323.345 0.882 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)CNC(=O)CO3)c1 ZINC001203680193 772919156 /nfs/dbraw/zinc/91/91/56/772919156.db2.gz JUVUMBDVWGKXDJ-UHFFFAOYSA-N 1 0 306.362 0.882 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1O ZINC001206092797 773046831 /nfs/dbraw/zinc/04/68/31/773046831.db2.gz YSKWOPTUSDWVIZ-HZPDHXFCSA-N 1 0 309.385 0.556 20 10 DCCDRO C[NH+](C)CCN1CCC12CN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001270038028 940821182 /nfs/dbraw/zinc/82/11/82/940821182.db2.gz RDTCGHISIIPJHH-UHFFFAOYSA-N 1 0 305.378 0.560 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnco2)cc1C ZINC001482753163 941649208 /nfs/dbraw/zinc/64/92/08/941649208.db2.gz HXDJQDJCXXVFBZ-CYBMUJFWSA-N 1 0 319.361 0.872 20 10 DCCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001272626361 942873939 /nfs/dbraw/zinc/87/39/39/942873939.db2.gz WQVWASLFPNWHKV-INIZCTEOSA-N 1 0 306.362 0.834 20 10 DCCDRO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001276832809 944321214 /nfs/dbraw/zinc/32/12/14/944321214.db2.gz DFVQHTHCFSYTOM-UONOGXRCSA-N 1 0 321.421 0.871 20 10 DCCDRO Cc1cc(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)ccc1N(C)C ZINC001276929203 944597037 /nfs/dbraw/zinc/59/70/37/944597037.db2.gz ONJXULLIAKRTTE-GXTWGEPZSA-N 1 0 302.378 0.733 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001249178393 945623838 /nfs/dbraw/zinc/62/38/38/945623838.db2.gz QSNHCBIRGSCYNH-KRWDZBQOSA-N 1 0 318.373 0.820 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001249208564 945625073 /nfs/dbraw/zinc/62/50/73/945625073.db2.gz WMNJJGYUSRHRPJ-CQSZACIVSA-N 1 0 318.373 0.914 20 10 DCCDRO COC(=O)[C@@H](O)CNC1CC[NH+](Cc2ccccc2O)CC1 ZINC001252444094 945931692 /nfs/dbraw/zinc/93/16/92/945931692.db2.gz JNXSXKVJGWAPAT-HNNXBMFYSA-N 1 0 308.378 0.480 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001322107363 946576301 /nfs/dbraw/zinc/57/63/01/946576301.db2.gz LNTLOVMTCCRWNL-ZDUSSCGKSA-N 1 0 317.389 0.704 20 10 DCCDRO OCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)COC1 ZINC001262009827 947530561 /nfs/dbraw/zinc/53/05/61/947530561.db2.gz KBZAWEOPQJQNOC-UHFFFAOYSA-N 1 0 306.406 0.746 20 10 DCCDRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC001326472907 948174930 /nfs/dbraw/zinc/17/49/30/948174930.db2.gz FKFOFYGMOUUJFC-OCCSQVGLSA-N 1 0 319.405 0.794 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC001326875757 948312632 /nfs/dbraw/zinc/31/26/32/948312632.db2.gz RTXURNOBJBZECN-UHFFFAOYSA-N 1 0 319.405 0.857 20 10 DCCDRO C[C@@H]1C[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[N@@H+]1C ZINC001330185924 950173959 /nfs/dbraw/zinc/17/39/59/950173959.db2.gz ZXHDYFOBMAHDQG-DGCLKSJQSA-N 1 0 317.389 0.833 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001330261136 950235252 /nfs/dbraw/zinc/23/52/52/950235252.db2.gz UGKMFSKPKVFQOK-INIZCTEOSA-N 1 0 320.437 0.927 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@H](C(N)=O)C3)cc2F)CC1 ZINC001331296320 951063145 /nfs/dbraw/zinc/06/31/45/951063145.db2.gz IHXFZFKFKDBZII-HDJSIYSDSA-N 1 0 320.412 0.931 20 10 DCCDRO CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CC[N@H+](C)C1 ZINC001332052774 951453725 /nfs/dbraw/zinc/45/37/25/951453725.db2.gz DXTWCDOPCMRLOX-CYBMUJFWSA-N 1 0 317.389 0.787 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001332135732 951493922 /nfs/dbraw/zinc/49/39/22/951493922.db2.gz KIDPKFCKMRBWFU-KBPBESRZSA-N 1 0 317.389 0.704 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(O)c1OC ZINC001333658243 952125993 /nfs/dbraw/zinc/12/59/93/952125993.db2.gz OSCJIPCYIUENFY-JTQLQIEISA-N 1 0 315.391 0.934 20 10 DCCDRO C[C@@]1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CCC[NH2+]C1 ZINC001333980219 952217093 /nfs/dbraw/zinc/21/70/93/952217093.db2.gz UBTPAKUIMOOHIF-QGZVFWFLSA-N 1 0 317.389 0.740 20 10 DCCDRO C[C@@H]1C(=O)NCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001337026927 952798204 /nfs/dbraw/zinc/79/82/04/952798204.db2.gz XYIJPXQMXJVCIL-CYBMUJFWSA-N 1 0 320.412 0.898 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(OC)c1 ZINC001276194486 952990780 /nfs/dbraw/zinc/99/07/80/952990780.db2.gz WUHVOKIXKWBSOM-TXEJJXNPSA-N 1 0 308.378 0.924 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](O)C[NH3+])C2)cc1 ZINC001341991412 953262750 /nfs/dbraw/zinc/26/27/50/953262750.db2.gz XYZKFMYSOZUZEN-GXTWGEPZSA-N 1 0 307.394 0.347 20 10 DCCDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc(N(C)C)cc1 ZINC001347262181 954058793 /nfs/dbraw/zinc/05/87/93/954058793.db2.gz NTDFDMUXLAQFLB-CZUORRHYSA-N 1 0 302.422 0.757 20 10 DCCDRO COc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)c(O)c1 ZINC001347531615 954112592 /nfs/dbraw/zinc/11/25/92/954112592.db2.gz BXZXGRDHSUCOMV-FZMZJTMJSA-N 1 0 305.378 0.405 20 10 DCCDRO C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(C(=O)[O-])ccc1O ZINC001593231260 994372267 /nfs/dbraw/zinc/37/22/67/994372267.db2.gz OGOVGNIMIJZZQU-JTQLQIEISA-N 1 0 307.350 0.173 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC001468290681 1016240514 /nfs/dbraw/zinc/24/05/14/1016240514.db2.gz APHUYFAOLFWYGW-ZDUSSCGKSA-N 1 0 308.378 0.603 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001558158645 1012329268 /nfs/dbraw/zinc/32/92/68/1012329268.db2.gz FOWPXAKPXMRCOB-QWHCGFSZSA-N 1 0 306.362 0.308 20 10 DCCDRO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CC[NH+](C)CC1 ZINC001542938861 1012494978 /nfs/dbraw/zinc/49/49/78/1012494978.db2.gz RAEZCCLOUMKWLT-LBPRGKRZSA-N 1 0 307.394 0.392 20 10 DCCDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1ccc(N)cc1 ZINC000269230225 283321392 /nfs/dbraw/zinc/32/13/92/283321392.db2.gz CCDDHGIWIHEYTH-AWEZNQCLSA-N 1 0 304.394 0.267 20 10 DCCDRO COc1cccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c1O ZINC000273055792 533506331 /nfs/dbraw/zinc/50/63/31/533506331.db2.gz IJXBLDQAHCTJSY-GFCCVEGCSA-N 1 0 308.378 0.985 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)c1O ZINC000092067922 395729138 /nfs/dbraw/zinc/72/91/38/395729138.db2.gz WVPCGBCFGAFELP-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)O)CC2)cc1 ZINC000136172040 395945303 /nfs/dbraw/zinc/94/53/03/395945303.db2.gz HVFHFWDJWMAICD-AWEZNQCLSA-N 1 0 321.421 0.704 20 10 DCCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccccc1O ZINC000264430551 396279769 /nfs/dbraw/zinc/27/97/69/396279769.db2.gz UFGBJPJLUROWST-CYBMUJFWSA-N 1 0 306.410 0.827 20 10 DCCDRO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(O)c1O ZINC000272894937 292072086 /nfs/dbraw/zinc/07/20/86/292072086.db2.gz ZTRYMKOHNZLNKG-GFCCVEGCSA-N 1 0 321.377 0.476 20 10 DCCDRO COc1cc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1OC ZINC000290009867 415749985 /nfs/dbraw/zinc/74/99/85/415749985.db2.gz DOLNTPCOFXLFHP-GXSJLCMTSA-N 1 0 315.391 0.932 20 10 DCCDRO CNC(=O)CC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000170783367 416032511 /nfs/dbraw/zinc/03/25/11/416032511.db2.gz UJOIUPPGURJWGO-UHFFFAOYSA-N 1 0 306.410 0.437 20 10 DCCDRO C[NH2+]CCNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000891993759 658082621 /nfs/dbraw/zinc/08/26/21/658082621.db2.gz ZRRTZFLCERSQEA-UHFFFAOYSA-N 1 0 322.409 0.755 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)CNC(N)=O)[NH+](C)C)cc1 ZINC000891258387 658095099 /nfs/dbraw/zinc/09/50/99/658095099.db2.gz REQPKGHJESCLTI-CYBMUJFWSA-N 1 0 307.398 0.140 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)CC1 ZINC000892123594 658202699 /nfs/dbraw/zinc/20/26/99/658202699.db2.gz ATEBKTODGOBXGG-IHWYPQMZSA-N 1 0 317.437 0.753 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)C(F)(F)F)cc1 ZINC000841846798 661659500 /nfs/dbraw/zinc/65/95/00/661659500.db2.gz VLIAAKQHMNIIKZ-QWRGUYRKSA-N 1 0 304.316 0.758 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](CF)C3=O)cc2)CC1 ZINC000925080537 662007195 /nfs/dbraw/zinc/00/71/95/662007195.db2.gz VSBBTIFYKNXPTP-AWEZNQCLSA-N 1 0 320.368 0.828 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@H](CF)C3=O)cc2)CC1 ZINC000925080538 662007256 /nfs/dbraw/zinc/00/72/56/662007256.db2.gz VSBBTIFYKNXPTP-CQSZACIVSA-N 1 0 320.368 0.828 20 10 DCCDRO COc1cccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1O ZINC000895773844 662215352 /nfs/dbraw/zinc/21/53/52/662215352.db2.gz UYEAZMPKRRUQDE-AWEZNQCLSA-N 1 0 306.362 0.786 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c(O)c1 ZINC000897059520 662387745 /nfs/dbraw/zinc/38/77/45/662387745.db2.gz XQQRWZYTACOTPK-NSHDSACASA-N 1 0 314.407 0.901 20 10 DCCDRO COc1cccc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c1O ZINC000898333162 662949536 /nfs/dbraw/zinc/94/95/36/662949536.db2.gz PSRFWCZKECRJIH-UHFFFAOYSA-N 1 0 305.334 0.843 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1O ZINC000927025997 663079701 /nfs/dbraw/zinc/07/97/01/663079701.db2.gz JGVFWNXRIYGGAF-VHSXEESVSA-N 1 0 303.380 0.457 20 10 DCCDRO NC(=O)NC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731844523 664885439 /nfs/dbraw/zinc/88/54/39/664885439.db2.gz JJRJBFMQEOZDDL-ZDUSSCGKSA-N 1 0 321.377 0.958 20 10 DCCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1c(O)cccc1F ZINC000917223576 665122062 /nfs/dbraw/zinc/12/20/62/665122062.db2.gz KOOAOTVSGSMDRJ-LBPRGKRZSA-N 1 0 324.400 0.966 20 10 DCCDRO CN1CCN(C(=O)C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921609567 667278162 /nfs/dbraw/zinc/27/81/62/667278162.db2.gz OSXGYIUGZJDTBS-UHFFFAOYSA-N 1 0 303.406 0.875 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+]CCCS(=O)(=O)NC)c1 ZINC000865706886 667340225 /nfs/dbraw/zinc/34/02/25/667340225.db2.gz KDECFEHWRVIVKJ-UHFFFAOYSA-N 1 0 302.396 0.820 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000884416688 667541798 /nfs/dbraw/zinc/54/17/98/667541798.db2.gz JYBQHBZVFZWCMT-HNNXBMFYSA-N 1 0 307.394 0.238 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884531853 667562119 /nfs/dbraw/zinc/56/21/19/667562119.db2.gz WUIZJSJDPSQKLQ-JSGCOSHPSA-N 1 0 318.421 0.625 20 10 DCCDRO CN(CCO)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665924 667981945 /nfs/dbraw/zinc/98/19/45/667981945.db2.gz AZSCLXLSEPKMMB-UHFFFAOYSA-N 1 0 306.410 0.572 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H](C)O)CC2)cc1 ZINC000758184640 668158626 /nfs/dbraw/zinc/15/86/26/668158626.db2.gz FHDTZFZBQDJFGH-ZBFHGGJFSA-N 1 0 323.437 0.149 20 10 DCCDRO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000876742634 668499923 /nfs/dbraw/zinc/49/99/23/668499923.db2.gz VFSWEVZXXKFAJL-VBNZEHGJSA-N 1 0 319.405 0.817 20 10 DCCDRO COC[C@@]1(C(=O)NCc2ccc(OC)cc2O)C[NH2+]CCO1 ZINC000876910827 668534353 /nfs/dbraw/zinc/53/43/53/668534353.db2.gz NSHIEAQOPVFTTD-OAHLLOKOSA-N 1 0 310.350 0.022 20 10 DCCDRO Cn1nnnc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877133965 668565150 /nfs/dbraw/zinc/56/51/50/668565150.db2.gz SFJKRTAONNWPRA-UHFFFAOYSA-N 1 0 316.409 0.504 20 10 DCCDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000768257041 668604057 /nfs/dbraw/zinc/60/40/57/668604057.db2.gz NGIVUHPTDVIXGK-GFCCVEGCSA-N 1 0 323.418 0.832 20 10 DCCDRO C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](CO)C1 ZINC000877643446 668635432 /nfs/dbraw/zinc/63/54/32/668635432.db2.gz DXRZLSAEBXXWRT-HNNXBMFYSA-N 1 0 323.412 0.771 20 10 DCCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000877720121 668642138 /nfs/dbraw/zinc/64/21/38/668642138.db2.gz KTITWHJLDGUDQN-TXEJJXNPSA-N 1 0 304.346 0.838 20 10 DCCDRO Cc1cccc(O)c1C[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000877732023 668643914 /nfs/dbraw/zinc/64/39/14/668643914.db2.gz FMDJHHLBALDJIO-MRXNPFEDSA-N 1 0 306.362 0.418 20 10 DCCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775994798 668869972 /nfs/dbraw/zinc/86/99/72/668869972.db2.gz LLVWEVOMJKTURF-UONOGXRCSA-N 1 0 310.369 0.590 20 10 DCCDRO Cc1cc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1N(C)C ZINC000878972548 668958194 /nfs/dbraw/zinc/95/81/94/668958194.db2.gz ITEBOLBBXHWRLJ-STQMWFEESA-N 1 0 304.394 0.080 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C2(O)CCOCC2)c1 ZINC000930216593 668978746 /nfs/dbraw/zinc/97/87/46/668978746.db2.gz LHWRBSSRFAXDAA-NHYWBVRUSA-N 1 0 311.378 0.954 20 10 DCCDRO COC[C@@](C)(CO)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000879164211 668992082 /nfs/dbraw/zinc/99/20/82/668992082.db2.gz YOIXXHDOUBVRHB-MRXNPFEDSA-N 1 0 309.410 0.356 20 10 DCCDRO CC[N@H+](CCC(N)=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000932481055 669372514 /nfs/dbraw/zinc/37/25/14/669372514.db2.gz QDAZKKLZTDNTGO-UHFFFAOYSA-N 1 0 320.437 0.908 20 10 DCCDRO CN(C)c1ccc(C[NH2+][C@](C)(Cn2cccn2)C(N)=O)cc1 ZINC000934220222 669580516 /nfs/dbraw/zinc/58/05/16/669580516.db2.gz BXWSFDUGENFEQW-MRXNPFEDSA-N 1 0 301.394 0.983 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1 ZINC000800890460 670103394 /nfs/dbraw/zinc/10/33/94/670103394.db2.gz IELVNFYVBLYMAI-UHFFFAOYSA-N 1 0 314.407 0.961 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+]CC2CN(S(C)(=O)=O)C2)c1 ZINC000189699484 670147317 /nfs/dbraw/zinc/14/73/17/670147317.db2.gz GIQVDLIULITDOY-UHFFFAOYSA-N 1 0 314.407 0.772 20 10 DCCDRO CN(CCC[NH+](C)C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000857308354 670909227 /nfs/dbraw/zinc/90/92/27/670909227.db2.gz NGKJAGBXWLFAAI-UHFFFAOYSA-N 1 0 313.373 0.850 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850360432 670909594 /nfs/dbraw/zinc/90/95/94/670909594.db2.gz FMIRJGBVZNPGBC-TVQRCGJNSA-N 1 0 315.347 0.023 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3COCC[NH2+]3)C2)cc1 ZINC000851639327 671002718 /nfs/dbraw/zinc/00/27/18/671002718.db2.gz DAOVTYXYFHEPJL-KGLIPLIRSA-N 1 0 319.405 0.769 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000851692420 671017236 /nfs/dbraw/zinc/01/72/36/671017236.db2.gz XIFKGMPFENDGNC-ZDUSSCGKSA-N 1 0 320.437 0.825 20 10 DCCDRO COc1ccc(N2CC[C@H](CNc3nc(N)[nH+]c(N)n3)C2)cc1 ZINC000858582710 671018190 /nfs/dbraw/zinc/01/81/90/671018190.db2.gz SHCOORIYCJLXLI-SNVBAGLBSA-N 1 0 315.381 0.983 20 10 DCCDRO Nc1nc(NCc2ccc(N3CCC(O)CC3)cc2)nc(N)[nH+]1 ZINC000858633884 671024620 /nfs/dbraw/zinc/02/46/20/671024620.db2.gz FROBXXUCCHMHIO-UHFFFAOYSA-N 1 0 315.381 0.609 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000819078794 671092022 /nfs/dbraw/zinc/09/20/22/671092022.db2.gz ZNUMYYZFLIIJNE-KRWDZBQOSA-N 1 0 307.438 0.844 20 10 DCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121556 671097932 /nfs/dbraw/zinc/09/79/32/671097932.db2.gz MIKUHFBKQHOAKL-CQSZACIVSA-N 1 0 312.385 0.884 20 10 DCCDRO Nc1ccc(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000852795500 671161479 /nfs/dbraw/zinc/16/14/79/671161479.db2.gz IFRNSIJSMVHGTP-UHFFFAOYSA-N 1 0 314.393 0.757 20 10 DCCDRO [NH3+]C[C@H]1CC(C(=O)NCCCSc2nccs2)=NO1 ZINC000852841202 671171779 /nfs/dbraw/zinc/17/17/79/671171779.db2.gz XUTJLCXKDOYVHV-MRVPVSSYSA-N 1 0 300.409 0.845 20 10 DCCDRO COc1cc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000822520891 671327849 /nfs/dbraw/zinc/32/78/49/671327849.db2.gz RDHNJHRVIRAUSB-SNVBAGLBSA-N 1 0 308.334 0.646 20 10 DCCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1Cl ZINC000826036264 671477743 /nfs/dbraw/zinc/47/77/43/671477743.db2.gz CSZWDCUDUGAURE-CYBMUJFWSA-N 1 0 319.810 0.993 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc[n+]([O-])c2)cc1 ZINC000832292737 671713455 /nfs/dbraw/zinc/71/34/55/671713455.db2.gz LCVBQUBTKASNSR-HNNXBMFYSA-N 1 0 300.362 0.816 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc[n+]2[O-])cc1 ZINC000832300273 671714029 /nfs/dbraw/zinc/71/40/29/671714029.db2.gz QNZCQBBGYONNPQ-AWEZNQCLSA-N 1 0 300.362 0.816 20 10 DCCDRO Nc1ccc(CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000832526418 671722965 /nfs/dbraw/zinc/72/29/65/671722965.db2.gz DXSKYMGQPSLUGT-ZDUSSCGKSA-N 1 0 304.394 0.125 20 10 DCCDRO COCCS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784393 671830954 /nfs/dbraw/zinc/83/09/54/671830954.db2.gz IYHGALOGQCUDPG-ZDUSSCGKSA-N 1 0 301.412 0.318 20 10 DCCDRO CN1CCCc2cc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)ccc21 ZINC000841758142 671952822 /nfs/dbraw/zinc/95/28/22/671952822.db2.gz DGDMSACUWQRXNB-HNNXBMFYSA-N 1 0 318.421 0.938 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc1F ZINC000841759837 671953143 /nfs/dbraw/zinc/95/31/43/671953143.db2.gz ITZBFWVOKHTPRG-UHFFFAOYSA-N 1 0 322.384 0.776 20 10 DCCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000841959110 671969277 /nfs/dbraw/zinc/96/92/77/671969277.db2.gz KVNIZVKWEKFDGA-ZIAGYGMSSA-N 1 0 320.437 0.908 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000842035270 671977593 /nfs/dbraw/zinc/97/75/93/671977593.db2.gz DUDHAJSPECDZQY-DOMZBBRYSA-N 1 0 318.421 0.565 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000842037179 671978191 /nfs/dbraw/zinc/97/81/91/671978191.db2.gz WRGYMFZUMBXUSH-UHFFFAOYSA-N 1 0 318.421 0.709 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147497 671985772 /nfs/dbraw/zinc/98/57/72/671985772.db2.gz FBJHODLNQRZDED-SNVBAGLBSA-N 1 0 310.373 0.219 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1[NH3+] ZINC000842149002 671985841 /nfs/dbraw/zinc/98/58/41/671985841.db2.gz RWSBBDFGYVVPRG-ZWNOBZJWSA-N 1 0 322.384 0.314 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000842151453 671986282 /nfs/dbraw/zinc/98/62/82/671986282.db2.gz BGQFHCZJZAJACG-ZDUSSCGKSA-N 1 0 318.421 0.498 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C[NH3+])cc1 ZINC000842208547 671994825 /nfs/dbraw/zinc/99/48/25/671994825.db2.gz WZNAXOAJVYWRLX-GFCCVEGCSA-N 1 0 306.410 0.612 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)N2CCCC2)cc1 ZINC000842783923 672036729 /nfs/dbraw/zinc/03/67/29/672036729.db2.gz FPNKYWPBCUHYQI-CQSZACIVSA-N 1 0 312.439 0.683 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000843065041 672057881 /nfs/dbraw/zinc/05/78/81/672057881.db2.gz IIOILGQEQHFPTM-ZDUSSCGKSA-N 1 0 319.405 0.797 20 10 DCCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000843258456 672075544 /nfs/dbraw/zinc/07/55/44/672075544.db2.gz APAVCGDDDBMEFN-NWDGAFQWSA-N 1 0 306.410 0.611 20 10 DCCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000843261897 672076715 /nfs/dbraw/zinc/07/67/15/672076715.db2.gz NLVDSPOQEKWTPA-QWRGUYRKSA-N 1 0 324.400 0.750 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000844222213 672165449 /nfs/dbraw/zinc/16/54/49/672165449.db2.gz AHEWICACNRVPBC-GASCZTMLSA-N 1 0 302.422 0.520 20 10 DCCDRO CCOc1cccc(C[N@H+](CCO)CCN2CCOCC2)c1O ZINC000092186558 685107323 /nfs/dbraw/zinc/10/73/23/685107323.db2.gz PSDWUGGCYVFOBD-UHFFFAOYSA-N 1 0 324.421 0.917 20 10 DCCDRO COc1cccc(CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)c1O ZINC001579277297 1165260458 /nfs/dbraw/zinc/26/04/58/1165260458.db2.gz CKSIPIHWPXQDCE-INIZCTEOSA-N 1 0 319.361 0.916 20 10 DCCDRO [NH3+]CCCOC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001580299353 1165561642 /nfs/dbraw/zinc/56/16/42/1165561642.db2.gz GGGRDSFGFAKXTF-UHFFFAOYSA-N 1 0 308.378 0.997 20 10 DCCDRO O=C(NCc1ccc(O)cc1O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001580713940 1165697023 /nfs/dbraw/zinc/69/70/23/1165697023.db2.gz NQUMHIHNCVITCO-SNVBAGLBSA-N 1 0 302.334 0.828 20 10 DCCDRO O=C(NCc1ccc2cccnc2c1O)c1cn(C2C[NH2+]C2)nn1 ZINC001580718049 1165698936 /nfs/dbraw/zinc/69/89/36/1165698936.db2.gz IOEZBBMDPLPTAO-UHFFFAOYSA-N 1 0 324.344 0.606 20 10 DCCDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 ZINC001635332587 1171699373 /nfs/dbraw/zinc/69/93/73/1171699373.db2.gz NVUZRBXEDSJTLT-CYBMUJFWSA-N 1 0 310.394 0.849 20 10 DCCDRO CC[NH+]1CCN(CCC(=O)NCc2cc(O)ccc2O)CC1 ZINC001643882531 1171991381 /nfs/dbraw/zinc/99/13/81/1171991381.db2.gz YXFGPWFOLMHNMA-UHFFFAOYSA-N 1 0 307.394 0.742 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001645897516 1172173987 /nfs/dbraw/zinc/17/39/87/1172173987.db2.gz PYZPORLEOFPBPC-AWEZNQCLSA-N 1 0 320.389 0.698 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2nc[nH]n2)cc1C ZINC001731631387 1185420839 /nfs/dbraw/zinc/42/08/39/1185420839.db2.gz WCYSXIBGWZEHBL-LBPRGKRZSA-N 1 0 317.393 0.959 20 10 DCCDRO COCCOCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124926228 751747205 /nfs/dbraw/zinc/74/72/05/751747205.db2.gz SBBAZLPUCWVMQF-UHFFFAOYSA-N 1 0 310.394 0.872 20 10 DCCDRO N=c1sc2c(n1C(=O)c1cccc(O)c1O)CC[C@H]([NH3+])C2 ZINC001148219989 767940408 /nfs/dbraw/zinc/94/04/08/767940408.db2.gz JHLVTBMBXPWVSC-ZETCQYMHSA-N 1 0 305.359 0.945 20 10 DCCDRO Cn1ccn2c(C[NH2+][C@@H]3CCc4cccc(O)c43)nnc2c1=O ZINC001119345351 766637785 /nfs/dbraw/zinc/63/77/85/766637785.db2.gz ONNJLPQCOPPEFK-LLVKDONJSA-N 1 0 311.345 0.911 20 10 DCCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001119544052 766721272 /nfs/dbraw/zinc/72/12/72/766721272.db2.gz BOYDOLXVRLCHRC-AWEZNQCLSA-N 1 0 319.405 0.951 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c(O)c1OC ZINC001119946813 766868405 /nfs/dbraw/zinc/86/84/05/766868405.db2.gz HMJHHHMWILFQIA-CYBMUJFWSA-N 1 0 309.410 0.745 20 10 DCCDRO Oc1cc(O)c(C[NH+]2CCN(c3ncccn3)CC2)c(O)c1 ZINC001144499183 766958926 /nfs/dbraw/zinc/95/89/26/766958926.db2.gz DLPMOKRSJIYPGO-UHFFFAOYSA-N 1 0 302.334 0.916 20 10 DCCDRO [NH3+]CC1(C(=O)NCCCSc2nccs2)CC(O)C1 ZINC001121875558 767654440 /nfs/dbraw/zinc/65/44/40/767654440.db2.gz IDNLCXPHTWSFSY-UHFFFAOYSA-N 1 0 301.437 0.841 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(OC)c1 ZINC001141031764 768562503 /nfs/dbraw/zinc/56/25/03/768562503.db2.gz KCVFUBBJIQPDAW-JKSUJKDBSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1cc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(O)cc1O ZINC001231637175 769271913 /nfs/dbraw/zinc/27/19/13/769271913.db2.gz HYFCGPVWYZKZLW-UHFFFAOYSA-N 1 0 319.317 0.866 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(N2CCOCC2)cc1 ZINC001236199639 769982949 /nfs/dbraw/zinc/98/29/49/769982949.db2.gz YWYMEKFHPANKSG-HOCLYGCPSA-N 1 0 319.405 0.598 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@@H]1[NH3+] ZINC001236343835 769999244 /nfs/dbraw/zinc/99/92/44/769999244.db2.gz AXKSUUYANOOOOA-OLZOCXBDSA-N 1 0 305.378 0.447 20 10 DCCDRO C[C@H]1C(=O)NCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236937826 770025524 /nfs/dbraw/zinc/02/55/24/770025524.db2.gz FUOPHNTXOAKEBZ-ZDUSSCGKSA-N 1 0 320.412 0.898 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001237203460 770033261 /nfs/dbraw/zinc/03/32/61/770033261.db2.gz SDPNBWAEFMFEKL-OAHLLOKOSA-N 1 0 310.419 0.488 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2cc(O)c(Br)cc2O)C[C@@H]1O ZINC001206535331 771533616 /nfs/dbraw/zinc/53/36/16/771533616.db2.gz JZBDHYUPJKITSV-UFBFGSQYSA-N 1 0 317.183 0.612 20 10 DCCDRO CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203552473 772913512 /nfs/dbraw/zinc/91/35/12/772913512.db2.gz MKSZYWHWJABCJN-HIFRSBDPSA-N 1 0 305.378 0.023 20 10 DCCDRO O=C(CCc1ccc(O)c(O)c1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619881 774560348 /nfs/dbraw/zinc/56/03/48/774560348.db2.gz RBPBRRIBDKGLAN-DZGCQCFKSA-N 1 0 312.341 0.209 20 10 DCCDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)CN2C(=O)CSC2=S)C1 ZINC001219642516 774570419 /nfs/dbraw/zinc/57/04/19/774570419.db2.gz UTVPUOSMTFZDBM-BDAKNGLRSA-N 1 0 301.437 0.209 20 10 DCCDRO Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])Cc2cncn2C)c(O)c1 ZINC001220825603 774926831 /nfs/dbraw/zinc/92/68/31/774926831.db2.gz NZJMSHZBWCSOAV-AWEZNQCLSA-N 1 0 302.378 0.929 20 10 DCCDRO COc1cc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc(O)c1O ZINC001222492490 775367040 /nfs/dbraw/zinc/36/70/40/775367040.db2.gz YNOANHDNAGREHS-STQMWFEESA-N 1 0 307.394 0.632 20 10 DCCDRO Oc1cc(CN2CC[NH2+]C[C@]3(CCCCN3)C2)cc(O)c1O ZINC001222684533 775414798 /nfs/dbraw/zinc/41/47/98/775414798.db2.gz HZOXELFHZCQSFN-MRXNPFEDSA-N 1 0 307.394 0.721 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCOC2)cc1C ZINC001278054116 945119354 /nfs/dbraw/zinc/11/93/54/945119354.db2.gz OCIMKQJCMNFDEI-GJZGRUSLSA-N 1 0 322.405 0.607 20 10 DCCDRO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001272987374 945172966 /nfs/dbraw/zinc/17/29/66/945172966.db2.gz ADLWGTFNQNFPCE-INIZCTEOSA-N 1 0 306.362 0.779 20 10 DCCDRO CN1CCCc2cc(C[N@H+]3C[C@@H]4C(C(N)=O)=NO[C@@H]4C3)ccc21 ZINC001277254311 944725748 /nfs/dbraw/zinc/72/57/48/944725748.db2.gz QKOZVIFSFHHBAI-DZGCQCFKSA-N 1 0 314.389 0.741 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CCCCn2cc(C(N)=O)nn2)c1 ZINC001462339424 1013062467 /nfs/dbraw/zinc/06/24/67/1013062467.db2.gz ARQYIOXLUOUVMQ-UHFFFAOYSA-N 1 0 319.365 0.661 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001325151367 947682574 /nfs/dbraw/zinc/68/25/74/947682574.db2.gz PWNBXTYAVKKXFY-CQSZACIVSA-N 1 0 319.405 0.903 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H](C)[NH2+]1 ZINC001326473816 948175907 /nfs/dbraw/zinc/17/59/07/948175907.db2.gz OLMJJWBHRQLFDK-VXGBXAGGSA-N 1 0 305.378 0.559 20 10 DCCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC001328401532 948880438 /nfs/dbraw/zinc/88/04/38/948880438.db2.gz ZRRDQLLPZJZJNR-NSHDSACASA-N 1 0 308.334 0.458 20 10 DCCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001331635572 951209213 /nfs/dbraw/zinc/20/92/13/951209213.db2.gz GVMADHBXPBWDPC-LBPRGKRZSA-N 1 0 305.378 0.868 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2COC(=O)N2)cc1C ZINC001274739889 951817153 /nfs/dbraw/zinc/81/71/53/951817153.db2.gz JZBUVMIPWBYECB-YPMHNXCESA-N 1 0 321.377 0.706 20 10 DCCDRO COCCOCN1CC2(C1)C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112479 951960329 /nfs/dbraw/zinc/96/03/29/951960329.db2.gz GHOBRTBNMAZJJT-UHFFFAOYSA-N 1 0 324.377 0.542 20 10 DCCDRO CN1CC[N@H+](Cc2cc(O)ccc2O)C[C@]2(CCCC(=O)N2)C1 ZINC001275418419 952134424 /nfs/dbraw/zinc/13/44/24/952134424.db2.gz CXAUFPPFNJZEBV-KRWDZBQOSA-N 1 0 319.405 0.884 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001275950421 952556398 /nfs/dbraw/zinc/55/63/98/952556398.db2.gz VKUNUGFEGGXNCJ-OKILXGFUSA-N 1 0 319.405 0.835 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+]1CCC(CO)CC1 ZINC001335857754 952611899 /nfs/dbraw/zinc/61/18/99/952611899.db2.gz JRXKSAMUEVEUBO-LBPRGKRZSA-N 1 0 322.405 0.849 20 10 DCCDRO COCC[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC001336905343 952783260 /nfs/dbraw/zinc/78/32/60/952783260.db2.gz FNDWYFPTQXBELQ-HNNXBMFYSA-N 1 0 306.410 0.831 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001340790933 953195358 /nfs/dbraw/zinc/19/53/58/953195358.db2.gz QSARSOSDSVZODE-OAHLLOKOSA-N 1 0 321.421 0.580 20 10 DCCDRO C[C@@H](NC(=O)CNCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001340839993 953198414 /nfs/dbraw/zinc/19/84/14/953198414.db2.gz UZAHQNHLKOZQQX-CYBMUJFWSA-N 1 0 306.410 0.249 20 10 DCCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001349816501 954893203 /nfs/dbraw/zinc/89/32/03/954893203.db2.gz OTMJNXNHKZZAQS-MRXNPFEDSA-N 1 0 321.421 0.628 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001292514457 956992945 /nfs/dbraw/zinc/99/29/45/956992945.db2.gz HHRXONQWHFLBAE-KGLIPLIRSA-N 1 0 320.389 0.698 20 10 DCCDRO COCCC[N@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000276516981 238320593 /nfs/dbraw/zinc/32/05/93/238320593.db2.gz BWTGHYJQJINGMJ-UHFFFAOYSA-N 1 0 300.330 0.935 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000372098793 239188514 /nfs/dbraw/zinc/18/85/14/239188514.db2.gz NOLDPMCXSHWRLF-HOTGVXAUSA-N 1 0 303.406 0.869 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N1CCN(C)CC1 ZINC000273170079 130094417 /nfs/dbraw/zinc/09/44/17/130094417.db2.gz MHAUQYZROIOILV-OLZOCXBDSA-N 1 0 321.421 0.781 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N1CCN(C)CC1 ZINC000273170087 130094567 /nfs/dbraw/zinc/09/45/67/130094567.db2.gz MHAUQYZROIOILV-STQMWFEESA-N 1 0 321.421 0.781 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)c1 ZINC000092068472 395729196 /nfs/dbraw/zinc/72/91/96/395729196.db2.gz XXKXISRVLQTUSM-CYBMUJFWSA-N 1 0 314.407 0.914 20 10 DCCDRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289882638 415732891 /nfs/dbraw/zinc/73/28/91/415732891.db2.gz MDDUFZAGWKCKIE-LBPRGKRZSA-N 1 0 311.357 0.788 20 10 DCCDRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000290325531 415791744 /nfs/dbraw/zinc/79/17/44/415791744.db2.gz OPKDQINIQSGJNW-AWEZNQCLSA-N 1 0 307.394 0.992 20 10 DCCDRO COCCOC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000296619318 415933468 /nfs/dbraw/zinc/93/34/68/415933468.db2.gz UQPMOSNHKNDSRG-MRXNPFEDSA-N 1 0 324.421 0.841 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)CC[NH+](C)C ZINC000653123831 418032236 /nfs/dbraw/zinc/03/22/36/418032236.db2.gz JELYZFMSDDVCDW-ZDUSSCGKSA-N 1 0 306.410 0.757 20 10 DCCDRO COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272441864 334034556 /nfs/dbraw/zinc/03/45/56/334034556.db2.gz MNZUXPZNLDZLHY-MASHWEEQSA-N 1 0 306.362 0.948 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264817049 523382389 /nfs/dbraw/zinc/38/23/89/523382389.db2.gz XCNKTNWUWSTMSV-AWEZNQCLSA-N 1 0 306.410 0.779 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)cc1 ZINC001023149958 657557365 /nfs/dbraw/zinc/55/73/65/657557365.db2.gz OBXCEATXGYXKGH-TXEJJXNPSA-N 1 0 305.338 0.692 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)NCCC(N)=O)[NH+](C)C)cc1 ZINC000891782736 657746465 /nfs/dbraw/zinc/74/64/65/657746465.db2.gz XGFDMJOZEQBKSW-AWEZNQCLSA-N 1 0 321.425 0.530 20 10 DCCDRO COCCN(Cc1ccc(OC)c(OC)c1O)[C@@H](C)C(N)=O ZINC000891948137 657943516 /nfs/dbraw/zinc/94/35/16/657943516.db2.gz FMOYAYSRGCKVIC-JTQLQIEISA-N 1 0 312.366 0.732 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC(N)=O)[NH+](C)C)cc1 ZINC000891245330 658073527 /nfs/dbraw/zinc/07/35/27/658073527.db2.gz CVLABBOGGCTNCT-CQSZACIVSA-N 1 0 306.410 0.737 20 10 DCCDRO COc1cc(C)cc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c1O ZINC000894877251 662023953 /nfs/dbraw/zinc/02/39/53/662023953.db2.gz SUCAVZZACXENBH-CQSZACIVSA-N 1 0 315.391 0.348 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c(O)c1OC ZINC000895011934 662043218 /nfs/dbraw/zinc/04/32/18/662043218.db2.gz HXISHMJAZGBUOQ-JTQLQIEISA-N 1 0 308.334 0.646 20 10 DCCDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000895327719 662169476 /nfs/dbraw/zinc/16/94/76/662169476.db2.gz PTTMFAHSXMZLMJ-IRXDYDNUSA-N 1 0 306.406 0.841 20 10 DCCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000895702681 662207805 /nfs/dbraw/zinc/20/78/05/662207805.db2.gz DXGUURIPSWJYGE-OAHLLOKOSA-N 1 0 311.334 0.519 20 10 DCCDRO COc1cccc(C[NH+]2CCC(O)(COCCO)CC2)c1O ZINC000895827633 662219186 /nfs/dbraw/zinc/21/91/86/662219186.db2.gz OWTTWLNROQTCGX-UHFFFAOYSA-N 1 0 311.378 0.737 20 10 DCCDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)C[C@]2(C)C1 ZINC000906706416 663633756 /nfs/dbraw/zinc/63/37/56/663633756.db2.gz MWFSSENQKFMOGX-BZNIZROVSA-N 1 0 302.378 0.617 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000910999286 663965846 /nfs/dbraw/zinc/96/58/46/663965846.db2.gz JSNMHLUOVZTTNR-VHDGCEQUSA-N 1 0 316.405 0.378 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000910994754 663967095 /nfs/dbraw/zinc/96/70/95/663967095.db2.gz YWAQTEMXRQWSHR-CQSZACIVSA-N 1 0 318.421 0.565 20 10 DCCDRO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911668230 664097308 /nfs/dbraw/zinc/09/73/08/664097308.db2.gz WVEAXSZLEQKRRE-CQDKDKBSSA-N 1 0 307.394 0.673 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000154114954 665080643 /nfs/dbraw/zinc/08/06/43/665080643.db2.gz QSEJDTGGACBUDE-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(O)CCOC3)cc2)CC1 ZINC000918839122 665184883 /nfs/dbraw/zinc/18/48/83/665184883.db2.gz PZGHIFSJCPSKLN-KRWDZBQOSA-N 1 0 319.405 0.206 20 10 DCCDRO CCN(CCO)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000184539502 666226693 /nfs/dbraw/zinc/22/66/93/666226693.db2.gz GKQXXSIDIVGQAK-UHFFFAOYSA-N 1 0 307.438 0.927 20 10 DCCDRO CCOc1ccc(C[NH2+]C[C@]2(CO)COCCN2C)c(O)c1 ZINC000922535869 666477774 /nfs/dbraw/zinc/47/77/74/666477774.db2.gz NFPKFCNMNMKSPN-INIZCTEOSA-N 1 0 310.394 0.574 20 10 DCCDRO COc1cccc(O)c1C[NH2+]C[C@]1(OC)CCS(=O)(=O)C1 ZINC000922614015 666495450 /nfs/dbraw/zinc/49/54/50/666495450.db2.gz AVKIOOGHHMBCOU-CQSZACIVSA-N 1 0 315.391 0.694 20 10 DCCDRO COCC[C@@H]([NH3+])C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000884386271 667535674 /nfs/dbraw/zinc/53/56/74/667535674.db2.gz KFFGWIBFHOUDHS-OAHLLOKOSA-N 1 0 309.410 0.954 20 10 DCCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000868399814 667565926 /nfs/dbraw/zinc/56/59/26/667565926.db2.gz CPXYFMMHCATYLO-GXTWGEPZSA-N 1 0 318.421 0.659 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC000839164848 667734044 /nfs/dbraw/zinc/73/40/44/667734044.db2.gz AJURUEUJIOQISV-JOYOIKCWSA-N 1 0 302.168 0.940 20 10 DCCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000886242961 667744231 /nfs/dbraw/zinc/74/42/31/667744231.db2.gz KIRXXDYSTURTJZ-DVSIDAKKSA-N 1 0 310.369 0.636 20 10 DCCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)CC(N)=O)CC2)cc1 ZINC000749130730 667946685 /nfs/dbraw/zinc/94/66/85/667946685.db2.gz YPEVTIJCYUAUNP-CQSZACIVSA-N 1 0 320.437 0.671 20 10 DCCDRO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccccc2O)cn1 ZINC000757911425 668150840 /nfs/dbraw/zinc/15/08/40/668150840.db2.gz WYYRCZPHBPNQAX-UHFFFAOYSA-N 1 0 317.393 0.879 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000768230249 668603569 /nfs/dbraw/zinc/60/35/69/668603569.db2.gz RWSZJQBFPWONFN-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO CN1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](CO)C1 ZINC000877643573 668635510 /nfs/dbraw/zinc/63/55/10/668635510.db2.gz GSRUFJHTWQLOIM-QGZVFWFLSA-N 1 0 319.449 0.756 20 10 DCCDRO COc1ccc(N2CC[NH+](CCc3nnnn3C)CC2)cc1 ZINC000877912468 668659037 /nfs/dbraw/zinc/65/90/37/668659037.db2.gz WAKKBQFAOJNZGU-UHFFFAOYSA-N 1 0 302.382 0.583 20 10 DCCDRO COc1ccc(N2CCC[N@H+](CCc3nnnn3C)CC2)cc1 ZINC000877984093 668667160 /nfs/dbraw/zinc/66/71/60/668667160.db2.gz ZAZMSIHEOKLRAF-UHFFFAOYSA-N 1 0 316.409 0.974 20 10 DCCDRO Cn1ccnc(N2CC[NH+](Cc3ccccc3O)CC2)c1=O ZINC000770511074 668697540 /nfs/dbraw/zinc/69/75/40/668697540.db2.gz YOVXPQMEEHAQPG-UHFFFAOYSA-N 1 0 300.362 0.808 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000780893138 669016294 /nfs/dbraw/zinc/01/62/94/669016294.db2.gz UHAFJJIMVHYRQH-UHFFFAOYSA-N 1 0 305.334 0.575 20 10 DCCDRO COc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000782969996 669134910 /nfs/dbraw/zinc/13/49/10/669134910.db2.gz FDURUZGMUQMECL-UHFFFAOYSA-N 1 0 323.393 0.922 20 10 DCCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(OC)cc2O)C1 ZINC000792952659 669693155 /nfs/dbraw/zinc/69/31/55/669693155.db2.gz IYGBWVDHGSNCFQ-ZDUSSCGKSA-N 1 0 323.393 0.921 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCO)[C@@H](C)C2)cc(OC)n1 ZINC000947498552 669974746 /nfs/dbraw/zinc/97/47/46/669974746.db2.gz VUBIONCZRMKGHY-AAEUAGOBSA-N 1 0 323.393 0.674 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1 ZINC000036828145 670198215 /nfs/dbraw/zinc/19/82/15/670198215.db2.gz WUPGZOOFQUIIJZ-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CC2CN(S(C)(=O)=O)C2)c1 ZINC000190253209 670402584 /nfs/dbraw/zinc/40/25/84/670402584.db2.gz IWEZDCZCPSEZKH-UHFFFAOYSA-N 1 0 300.380 0.382 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3C[NH2+]C3)C2)cc1 ZINC000851663225 671006988 /nfs/dbraw/zinc/00/69/88/671006988.db2.gz WFBUTEKCPVQKBI-ZDUSSCGKSA-N 1 0 304.394 0.793 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851685773 671013844 /nfs/dbraw/zinc/01/38/44/671013844.db2.gz GJWXPIVRKSBDLJ-NEPJUHHUSA-N 1 0 306.410 0.654 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000851691245 671016405 /nfs/dbraw/zinc/01/64/05/671016405.db2.gz GDOFNKVAIABVFE-GFCCVEGCSA-N 1 0 307.394 0.855 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000852843874 671172435 /nfs/dbraw/zinc/17/24/35/671172435.db2.gz IVLDBPFHIDZRRC-XJKSGUPXSA-N 1 0 319.405 0.769 20 10 DCCDRO OCC1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000827474691 671529023 /nfs/dbraw/zinc/52/90/23/671529023.db2.gz JPNBTCKYOVGPQT-UHFFFAOYSA-N 1 0 324.396 0.839 20 10 DCCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832172890 671706868 /nfs/dbraw/zinc/70/68/68/671706868.db2.gz NNAZETSFVPFJQD-INIZCTEOSA-N 1 0 318.421 0.709 20 10 DCCDRO COc1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000832272955 671712730 /nfs/dbraw/zinc/71/27/30/671712730.db2.gz KJPAMZRDUXYHAG-CQSZACIVSA-N 1 0 315.377 0.981 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c1 ZINC000835057875 671787536 /nfs/dbraw/zinc/78/75/36/671787536.db2.gz VCAZJHOBTWQTSP-ZFWWWQNUSA-N 1 0 306.362 0.880 20 10 DCCDRO C[N@H+](CC(=O)NC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000016386937 671808824 /nfs/dbraw/zinc/80/88/24/671808824.db2.gz SXHKGEADNMQWEE-UHFFFAOYSA-N 1 0 306.366 0.150 20 10 DCCDRO COc1cc(Br)cc(CN(C)C[C@@H](O)C[NH3+])c1O ZINC000841094638 671912018 /nfs/dbraw/zinc/91/20/18/671912018.db2.gz ZRWDANAQNIZQOZ-JTQLQIEISA-N 1 0 319.199 0.915 20 10 DCCDRO Fc1cc(C[NH2+]C[C@H]2CNCCO2)ccc1N1CCOCC1 ZINC000841099410 671912230 /nfs/dbraw/zinc/91/22/30/671912230.db2.gz PDATXDCUHFNWPW-CQSZACIVSA-N 1 0 309.385 0.740 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000841892380 671963639 /nfs/dbraw/zinc/96/36/39/671963639.db2.gz HSSAMZNMBNOIMF-ZDUSSCGKSA-N 1 0 306.362 0.954 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000842035018 671977712 /nfs/dbraw/zinc/97/77/12/671977712.db2.gz BGXKUTOQOFBISC-CHWSQXEVSA-N 1 0 318.421 0.578 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1F ZINC000842148989 671985593 /nfs/dbraw/zinc/98/55/93/671985593.db2.gz RNPZJLAGQGXTAY-LLVKDONJSA-N 1 0 308.357 0.068 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)ccc21 ZINC000842151002 671986356 /nfs/dbraw/zinc/98/63/56/671986356.db2.gz ZQWPHUZTVLMDCJ-CQSZACIVSA-N 1 0 316.405 0.163 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000842154138 671986728 /nfs/dbraw/zinc/98/67/28/671986728.db2.gz RQPRAYBPFSMFSI-UHFFFAOYSA-N 1 0 318.421 0.545 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000842154210 671987048 /nfs/dbraw/zinc/98/70/48/671987048.db2.gz RVVHYEIRXQAQIH-HNNXBMFYSA-N 1 0 320.437 0.777 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000842206370 671994646 /nfs/dbraw/zinc/99/46/46/671994646.db2.gz DXUZBPWDBNLSBW-CYBMUJFWSA-N 1 0 320.437 0.860 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc1F ZINC000842210304 671995165 /nfs/dbraw/zinc/99/51/65/671995165.db2.gz YYJGZCPTEJJULE-UHFFFAOYSA-N 1 0 324.400 0.705 20 10 DCCDRO CCC[N@H+](CC)CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842216362 671995900 /nfs/dbraw/zinc/99/59/00/671995900.db2.gz BZRLEPWPQSQHSR-UHFFFAOYSA-N 1 0 320.437 0.776 20 10 DCCDRO C[NH2+]CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000842232668 671998022 /nfs/dbraw/zinc/99/80/22/671998022.db2.gz UOMKHRNVDRCMDI-UHFFFAOYSA-N 1 0 320.437 0.825 20 10 DCCDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842251746 672000274 /nfs/dbraw/zinc/00/02/74/672000274.db2.gz YQRGYBXMYXTPPH-HNNXBMFYSA-N 1 0 320.437 0.811 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000842255322 672000809 /nfs/dbraw/zinc/00/08/09/672000809.db2.gz CXNKFFYGOZQZLA-CQSZACIVSA-N 1 0 319.405 0.984 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN(C)CCC[NH3+])CC2)cc1 ZINC000844218538 672165019 /nfs/dbraw/zinc/16/50/19/672165019.db2.gz CCUUFGGITBUDMG-UHFFFAOYSA-N 1 0 320.437 0.624 20 10 DCCDRO C[NH2+]CCN(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844226002 672166395 /nfs/dbraw/zinc/16/63/95/672166395.db2.gz YNRFMQSBZRYENK-UHFFFAOYSA-N 1 0 320.437 0.495 20 10 DCCDRO CCOc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000846032613 672290549 /nfs/dbraw/zinc/29/05/49/672290549.db2.gz FYYUGAJFCBBQJM-LBPRGKRZSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000846033668 672290644 /nfs/dbraw/zinc/29/06/44/672290644.db2.gz LFBWRPVLVCULLZ-JTQLQIEISA-N 1 0 300.380 0.524 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000725847471 685320726 /nfs/dbraw/zinc/32/07/26/685320726.db2.gz NHBKNJTTXWQVBA-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)cc1 ZINC001574035044 1163626921 /nfs/dbraw/zinc/62/69/21/1163626921.db2.gz MLNHAQPSBYREGI-CVEARBPZSA-N 1 0 321.421 0.967 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001578426890 1165012727 /nfs/dbraw/zinc/01/27/27/1165012727.db2.gz IPRAENZNHMHFPC-WBMJQRKESA-N 1 0 305.378 0.591 20 10 DCCDRO COc1cccc(CNC(=O)c2cn(CCCC[NH3+])nn2)c1O ZINC001579277840 1165259761 /nfs/dbraw/zinc/25/97/61/1165259761.db2.gz MMKXCOXFLZWOJN-UHFFFAOYSA-N 1 0 319.365 0.661 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3C(=O)[O-])cc2)CC1 ZINC001606245604 1170135439 /nfs/dbraw/zinc/13/54/39/1170135439.db2.gz RJMGQPMDLHLLJB-JKSUJKDBSA-N 1 0 319.405 0.458 20 10 DCCDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 ZINC001635332588 1171699892 /nfs/dbraw/zinc/69/98/92/1171699892.db2.gz NVUZRBXEDSJTLT-ZDUSSCGKSA-N 1 0 310.394 0.849 20 10 DCCDRO C[C@@H](O)C[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001662429524 1174208902 /nfs/dbraw/zinc/20/89/02/1174208902.db2.gz LPGLUCPXBAAQKS-NXEZZACHSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CN2CCOCC2)cc1C ZINC001125901655 748017441 /nfs/dbraw/zinc/01/74/41/748017441.db2.gz GDHIFFXXBSJGKO-UHFFFAOYSA-N 1 0 321.421 0.542 20 10 DCCDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(O)c2O)CC1 ZINC001136660566 766416884 /nfs/dbraw/zinc/41/68/84/766416884.db2.gz URYOVRCNBZAYJK-GFCCVEGCSA-N 1 0 307.394 0.854 20 10 DCCDRO C[C@]1(C(=O)NCCCSc2nccs2)C[C@@H](O)C[NH2+]1 ZINC001121874875 767654525 /nfs/dbraw/zinc/65/45/25/767654525.db2.gz DBXIDJCSSBMLFC-BXKDBHETSA-N 1 0 301.437 0.854 20 10 DCCDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(O)ccc2O)O1 ZINC001141157678 768569823 /nfs/dbraw/zinc/56/98/23/768569823.db2.gz LZZZJOHIJLWPMX-BPLDGKMQSA-N 1 0 306.362 0.918 20 10 DCCDRO COc1cc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c(O)cc1O ZINC001231636855 769271678 /nfs/dbraw/zinc/27/16/78/769271678.db2.gz ANUIOOGPEXDXTE-UHFFFAOYSA-N 1 0 322.361 0.587 20 10 DCCDRO CCNC(=O)CO[C@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016759 769344096 /nfs/dbraw/zinc/34/40/96/769344096.db2.gz NHALMKOKKQYFHT-LBPRGKRZSA-N 1 0 324.377 0.921 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)C[C@@H]1C(=O)OC ZINC001173567458 769660649 /nfs/dbraw/zinc/66/06/49/769660649.db2.gz FFTQIJOIVAYOEU-LMKPVCQUSA-N 1 0 323.345 0.928 20 10 DCCDRO COc1cc(N(C)C)ccc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235066014 769756495 /nfs/dbraw/zinc/75/64/95/769756495.db2.gz ZXWDDQNKOHQEME-KRWDZBQOSA-N 1 0 304.438 0.899 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(OC)c(OC)cc1O ZINC001236200992 769984458 /nfs/dbraw/zinc/98/44/58/769984458.db2.gz LMYBHSFTSZIIHK-MNOVXSKESA-N 1 0 310.350 0.484 20 10 DCCDRO COc1c(O)c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC001182990399 771586548 /nfs/dbraw/zinc/58/65/48/771586548.db2.gz PWWDCBPLVAVTLX-HZMBPMFUSA-N 1 0 312.322 0.627 20 10 DCCDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)Cc1ccc(N)cc1)CC2 ZINC001161479352 772230990 /nfs/dbraw/zinc/23/09/90/772230990.db2.gz KGZFYVXBTFZBRC-PBHICJAKSA-N 1 0 317.389 0.565 20 10 DCCDRO Oc1ccccc1C[NH+]1CCN(CCN2CCOCC2)CC1 ZINC001203556643 772913566 /nfs/dbraw/zinc/91/35/66/772913566.db2.gz SHFQWDGMHNNJMK-UHFFFAOYSA-N 1 0 305.422 0.842 20 10 DCCDRO O=C1COCCN1C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277495 772944099 /nfs/dbraw/zinc/94/40/99/772944099.db2.gz FFVHXCWKWRVVTG-UHFFFAOYSA-N 1 0 306.362 0.921 20 10 DCCDRO COc1cc(C[NH+]2CCC3(CC2)CNC(=O)CO3)cc(O)c1O ZINC001204346720 772946126 /nfs/dbraw/zinc/94/61/26/772946126.db2.gz WZTASVBJCFUNBS-UHFFFAOYSA-N 1 0 322.361 0.587 20 10 DCCDRO COC(=O)[C@@H]1CN(C)CCN1C(=O)c1cc(O)c(O)c(OC)c1 ZINC001193098534 773005253 /nfs/dbraw/zinc/00/52/53/773005253.db2.gz UNSMFXFCSLHAGU-JTQLQIEISA-N 1 0 324.333 0.036 20 10 DCCDRO COc1cc(C(=O)n2c(C)ncc(C[NH3+])c2=N)cc(O)c1O ZINC001193113802 773007398 /nfs/dbraw/zinc/00/73/98/773007398.db2.gz CUQGNBINBZDAIL-UHFFFAOYSA-N 1 0 304.306 0.238 20 10 DCCDRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1O ZINC001219923466 774647231 /nfs/dbraw/zinc/64/72/31/774647231.db2.gz OEQFVMANGAVGIR-LBPRGKRZSA-N 1 0 323.393 0.267 20 10 DCCDRO [NH3+]C[C@H](O)CC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212833 774736246 /nfs/dbraw/zinc/73/62/46/774736246.db2.gz YGVMOJAZMAADDC-SECBINFHSA-N 1 0 309.753 0.920 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCNC2=O)cc1C ZINC001266961249 939290726 /nfs/dbraw/zinc/29/07/26/939290726.db2.gz IKONPXCRTATHTC-TZMCWYRMSA-N 1 0 319.405 0.734 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCNC2=O)cc1C ZINC001266961246 939290848 /nfs/dbraw/zinc/29/08/48/939290848.db2.gz IKONPXCRTATHTC-GXTWGEPZSA-N 1 0 319.405 0.734 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(N)=O)cc1C ZINC001268641320 940313737 /nfs/dbraw/zinc/31/37/37/940313737.db2.gz GUBMQYRAOUVAEW-NEPJUHHUSA-N 1 0 322.409 0.655 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2Cc1c(O)cccc1F ZINC001276359323 942100943 /nfs/dbraw/zinc/10/09/43/942100943.db2.gz HWRGCCAJPQKSJW-OKILXGFUSA-N 1 0 323.412 0.978 20 10 DCCDRO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001277442488 944818987 /nfs/dbraw/zinc/81/89/87/944818987.db2.gz WJICGRCKAWGAHS-CXAGYDPISA-N 1 0 317.389 0.419 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001249177985 945620732 /nfs/dbraw/zinc/62/07/32/945620732.db2.gz MAEWPWQXHQIOKD-HNNXBMFYSA-N 1 0 320.389 0.624 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H](O)C[NH3+] ZINC001263094106 947805301 /nfs/dbraw/zinc/80/53/01/947805301.db2.gz WHXZNQQMHWPJLC-OAHLLOKOSA-N 1 0 307.394 0.191 20 10 DCCDRO CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001273671323 948017062 /nfs/dbraw/zinc/01/70/62/948017062.db2.gz BMRXYWYWZIORPY-MRXNPFEDSA-N 1 0 322.361 0.484 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001326194842 948090784 /nfs/dbraw/zinc/09/07/84/948090784.db2.gz ZCKDPLBYZNYMMK-JSGCOSHPSA-N 1 0 319.405 0.984 20 10 DCCDRO C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@@H]1C[NH3+] ZINC001326472114 948174058 /nfs/dbraw/zinc/17/40/58/948174058.db2.gz JIOZIQYPTDWRJZ-TZMCWYRMSA-N 1 0 319.405 0.936 20 10 DCCDRO COc1cc(O)c(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC001329147057 949388883 /nfs/dbraw/zinc/38/88/83/949388883.db2.gz FELAWQKPDWBBAF-UHFFFAOYSA-N 1 0 320.349 0.654 20 10 DCCDRO CC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1[NH3+] ZINC001329503255 949645899 /nfs/dbraw/zinc/64/58/99/949645899.db2.gz AGOVVBJNTHFMMY-RISCZKNCSA-N 1 0 317.389 0.820 20 10 DCCDRO CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCC([NH3+])CC1 ZINC001330568296 950512368 /nfs/dbraw/zinc/51/23/68/950512368.db2.gz SBHSQUWITMUIPW-UHFFFAOYSA-N 1 0 317.389 0.963 20 10 DCCDRO COCC[NH2+][C@@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001331839809 951352166 /nfs/dbraw/zinc/35/21/66/951352166.db2.gz GAMWLQMOAOVFHJ-GFCCVEGCSA-N 1 0 323.353 0.176 20 10 DCCDRO C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1C[NH3+] ZINC001332117684 951485861 /nfs/dbraw/zinc/48/58/61/951485861.db2.gz XWHPFGBGCPOYAR-RISCZKNCSA-N 1 0 317.389 0.820 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCC[NH2+]C1 ZINC001332302078 951572697 /nfs/dbraw/zinc/57/26/97/951572697.db2.gz KXKBHUYVEIPTKJ-NEPJUHHUSA-N 1 0 317.389 0.739 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCC[NH2+]C1 ZINC001332302079 951573986 /nfs/dbraw/zinc/57/39/86/951573986.db2.gz KXKBHUYVEIPTKJ-NWDGAFQWSA-N 1 0 317.389 0.739 20 10 DCCDRO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(O)c(O)c1 ZINC001275821219 952477839 /nfs/dbraw/zinc/47/78/39/952477839.db2.gz KMQPKRYWIUNLJH-KBPBESRZSA-N 1 0 319.405 0.835 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001335304485 952517030 /nfs/dbraw/zinc/51/70/30/952517030.db2.gz RPHYQTYKDAWLMA-CXAGYDPISA-N 1 0 317.389 0.690 20 10 DCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001336768719 952763427 /nfs/dbraw/zinc/76/34/27/952763427.db2.gz ZCRJBFUPIRTLPS-AWEZNQCLSA-N 1 0 311.401 0.674 20 10 DCCDRO COc1cc(O)c(C[NH+]2CCC(OCC(N)=O)CC2)cc1OC ZINC001337000912 952794311 /nfs/dbraw/zinc/79/43/11/952794311.db2.gz HSDLTQBHXQRIOF-UHFFFAOYSA-N 1 0 324.377 0.876 20 10 DCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001341321731 953223112 /nfs/dbraw/zinc/22/31/12/953223112.db2.gz WBKVBZMLFCVNPJ-CJNGLKHVSA-N 1 0 323.437 0.806 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC001341924187 953259394 /nfs/dbraw/zinc/25/93/94/953259394.db2.gz RDUOPZLCHOEZGI-HZPDHXFCSA-N 1 0 303.406 0.869 20 10 DCCDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(O)c1O ZINC001344413458 953481849 /nfs/dbraw/zinc/48/18/49/953481849.db2.gz AJOLPHJIIRUTBP-LBPRGKRZSA-N 1 0 308.378 0.983 20 10 DCCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001347178454 954038275 /nfs/dbraw/zinc/03/82/75/954038275.db2.gz OPYZYLAQXHTMJJ-CHWSQXEVSA-N 1 0 312.435 0.780 20 10 DCCDRO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001348714666 954441275 /nfs/dbraw/zinc/44/12/75/954441275.db2.gz OJGWJPWXJSHNBY-CYBMUJFWSA-N 1 0 317.389 0.964 20 10 DCCDRO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1Cc2cccc(O)c2C1 ZINC001350047787 954976106 /nfs/dbraw/zinc/97/61/06/954976106.db2.gz YAZLIIBVSTZRHJ-AWEZNQCLSA-N 1 0 315.373 0.635 20 10 DCCDRO [NH3+]C[C@H](O)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001353494939 956082086 /nfs/dbraw/zinc/08/20/86/956082086.db2.gz JYIJNXFPJKQXLV-MRXNPFEDSA-N 1 0 321.421 0.221 20 10 DCCDRO C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)c1ccccc1O ZINC001357993979 957412683 /nfs/dbraw/zinc/41/26/83/957412683.db2.gz TXHDFWIGIVWDSO-AAEUAGOBSA-N 1 0 305.378 0.767 20 10 DCCDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001474423761 1017018271 /nfs/dbraw/zinc/01/82/71/1017018271.db2.gz BITKSJSPDGQZBY-LLVKDONJSA-N 1 0 309.366 0.913 20 10 DCCDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nnnn1C ZINC001474290251 1017014878 /nfs/dbraw/zinc/01/48/78/1017014878.db2.gz VHTQKNYOEQRFNI-ZDUSSCGKSA-N 1 0 315.425 0.813 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001442232641 1009117356 /nfs/dbraw/zinc/11/73/56/1009117356.db2.gz AIVKIUJGLYOPQM-CQSZACIVSA-N 1 0 320.389 0.821 20 10 DCCDRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2CO)c(C)n1-c1ccccn1 ZINC001522417217 1017490613 /nfs/dbraw/zinc/49/06/13/1017490613.db2.gz DUUXAVQLEVJIID-AWEZNQCLSA-N 1 0 314.389 0.895 20 10 DCCDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccc(Cl)cc1O ZINC001660018386 1173937741 /nfs/dbraw/zinc/93/77/41/1173937741.db2.gz QQJBVUXHCHQSJX-AWEZNQCLSA-N 1 0 300.786 0.828 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)N(C)C)cc1F ZINC000289660988 282290296 /nfs/dbraw/zinc/29/02/96/282290296.db2.gz QYRAHZAUUCYLJL-UHFFFAOYSA-N 1 0 303.403 0.873 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000378346214 530023625 /nfs/dbraw/zinc/02/36/25/530023625.db2.gz PVCWCGVWNXJMLX-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372170147 530024203 /nfs/dbraw/zinc/02/42/03/530024203.db2.gz OCNPFDRNUARACG-JTQLQIEISA-N 1 0 314.363 0.244 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000165413577 237120979 /nfs/dbraw/zinc/12/09/79/237120979.db2.gz IZUUBPJGHONOPI-GXTWGEPZSA-N 1 0 323.368 0.001 20 10 DCCDRO O=C1CO[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2N1 ZINC000373769847 239202971 /nfs/dbraw/zinc/20/29/71/239202971.db2.gz WHMWCMDAUVQNBE-JQWIXIFHSA-N 1 0 306.318 0.210 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCC(N)=O)cc1 ZINC000286658933 131244670 /nfs/dbraw/zinc/24/46/70/131244670.db2.gz ZSGJGKXZRRHBAK-UHFFFAOYSA-N 1 0 306.410 0.518 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186478999 396350738 /nfs/dbraw/zinc/35/07/38/396350738.db2.gz KIGYHLAVMYKYKO-HOTGVXAUSA-N 1 0 321.421 0.139 20 10 DCCDRO CNS(=O)(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000291000987 396477299 /nfs/dbraw/zinc/47/72/99/396477299.db2.gz ATIYZSYRSGQMHQ-UHFFFAOYSA-N 1 0 317.386 0.550 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372170148 396494662 /nfs/dbraw/zinc/49/46/62/396494662.db2.gz OCNPFDRNUARACG-SNVBAGLBSA-N 1 0 314.363 0.244 20 10 DCCDRO COCCOC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000296619311 415932808 /nfs/dbraw/zinc/93/28/08/415932808.db2.gz UQPMOSNHKNDSRG-INIZCTEOSA-N 1 0 324.421 0.841 20 10 DCCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(OC)ccc3O)CCN2C1=O ZINC000378442777 528955439 /nfs/dbraw/zinc/95/54/39/528955439.db2.gz PLXFWNOAWVBERT-ZDUSSCGKSA-N 1 0 319.361 0.869 20 10 DCCDRO COc1ccc(O)c(CNS(=O)(=O)CCC[NH+](C)C)c1 ZINC000866849705 657517601 /nfs/dbraw/zinc/51/76/01/657517601.db2.gz OINNSLSPBGFIIX-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2nc[nH]n2)[NH+](C)C)cc1 ZINC000891250108 658084620 /nfs/dbraw/zinc/08/46/20/658084620.db2.gz UPFVKBMILFVNAT-CQSZACIVSA-N 1 0 316.409 0.832 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)C2(C(N)=O)CC2)[NH+](C)C)cc1 ZINC000891253986 658091758 /nfs/dbraw/zinc/09/17/58/658091758.db2.gz VKHIJCKOEYGVBK-AWEZNQCLSA-N 1 0 318.421 0.737 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1 ZINC000182344426 659116879 /nfs/dbraw/zinc/11/68/79/659116879.db2.gz RCDCPPUFLYQAFQ-LBPRGKRZSA-N 1 0 307.394 0.825 20 10 DCCDRO COc1ccc(CN2CC[N@H+](CCO)C[C@H]2C)c(O)c1OC ZINC000894794038 662004623 /nfs/dbraw/zinc/00/46/23/662004623.db2.gz KOSADKCYYSNRQJ-GFCCVEGCSA-N 1 0 310.394 0.908 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cc1C ZINC000989400312 662910507 /nfs/dbraw/zinc/91/05/07/662910507.db2.gz XCMOTDSATQIULU-WCQYABFASA-N 1 0 305.378 0.568 20 10 DCCDRO [NH3+][C@@]1(CO)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000904402822 663512515 /nfs/dbraw/zinc/51/25/15/663512515.db2.gz TYFNKUFVOPLBIE-KRWDZBQOSA-N 1 0 323.412 0.948 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCC(=O)N2C)cc1 ZINC000911667930 664097319 /nfs/dbraw/zinc/09/73/19/664097319.db2.gz UJSPQBNILGRXQD-HUUCEWRRSA-N 1 0 318.421 0.880 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(O)CCOC3)cc2)CC1 ZINC000918839128 665185042 /nfs/dbraw/zinc/18/50/42/665185042.db2.gz PZGHIFSJCPSKLN-QGZVFWFLSA-N 1 0 319.405 0.206 20 10 DCCDRO COC[C@@](C)(O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918860912 665187045 /nfs/dbraw/zinc/18/70/45/665187045.db2.gz GWTJHRJSOHRYML-QGZVFWFLSA-N 1 0 321.421 0.452 20 10 DCCDRO O=C(NCCCSc1nccs1)NC[C@H]1COCC[NH2+]1 ZINC000861609149 666949798 /nfs/dbraw/zinc/94/97/98/666949798.db2.gz CUBRZNFIMXCWKZ-JTQLQIEISA-N 1 0 316.452 0.913 20 10 DCCDRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861736208 666969284 /nfs/dbraw/zinc/96/92/84/666969284.db2.gz VJFGEOQFFGIRHS-OCCSQVGLSA-N 1 0 318.421 0.626 20 10 DCCDRO Fc1cc(C[NH2+]C[C@H]2COCCN2)ccc1N1CCOCC1 ZINC000863485410 667149224 /nfs/dbraw/zinc/14/92/24/667149224.db2.gz JKZQANFZGSEYSF-AWEZNQCLSA-N 1 0 309.385 0.740 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CC(N)=O)cc1C ZINC001034889796 667170249 /nfs/dbraw/zinc/17/02/49/667170249.db2.gz SNSGFWLUYRKQTQ-CQSZACIVSA-N 1 0 319.405 0.960 20 10 DCCDRO O=C1COC[C@@]2(C[NH2+][C@@H]3CCc4cccc(O)c43)COCCN12 ZINC000866552888 667380762 /nfs/dbraw/zinc/38/07/62/667380762.db2.gz CTGVFCRNZLYNRW-CXAGYDPISA-N 1 0 318.373 0.597 20 10 DCCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000884191629 667493970 /nfs/dbraw/zinc/49/39/70/667493970.db2.gz JAQAJLDQYYCETF-OAHLLOKOSA-N 1 0 307.394 0.503 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C(=O)N[C@@H](C)C2=O)c1 ZINC000838914022 667717625 /nfs/dbraw/zinc/71/76/25/667717625.db2.gz YGLXBYVELJWVLL-ZJUUUORDSA-N 1 0 307.350 0.992 20 10 DCCDRO COCCNC(=O)C1([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000839193971 667735408 /nfs/dbraw/zinc/73/54/08/667735408.db2.gz YVAUPBYEHQDLRY-UHFFFAOYSA-N 1 0 308.334 0.506 20 10 DCCDRO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839198724 667736525 /nfs/dbraw/zinc/73/65/25/667736525.db2.gz FVFRMNJVNJIXFW-JKSUJKDBSA-N 1 0 321.421 0.714 20 10 DCCDRO COc1cccc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1O ZINC000886322167 667756498 /nfs/dbraw/zinc/75/64/98/667756498.db2.gz QECQPVGZJWNMSD-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000754839956 668051983 /nfs/dbraw/zinc/05/19/83/668051983.db2.gz LLLPBOFJARBRRX-MRXNPFEDSA-N 1 0 310.369 0.903 20 10 DCCDRO OCC1CCN(c2ccc(CN[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925502038 668325380 /nfs/dbraw/zinc/32/53/80/668325380.db2.gz JZDOKPWNFWUVLQ-KRWDZBQOSA-N 1 0 319.449 0.973 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC2)cc1 ZINC000876732829 668498827 /nfs/dbraw/zinc/49/88/27/668498827.db2.gz HKLRTJQCHLECET-INIZCTEOSA-N 1 0 320.437 0.623 20 10 DCCDRO OC1CCN(c2ccc(C[N@@H+]3CCOC[C@@H](O)C3)cc2)CC1 ZINC000877562363 668629352 /nfs/dbraw/zinc/62/93/52/668629352.db2.gz YDHDHMHUEFDWGN-KRWDZBQOSA-N 1 0 306.406 0.841 20 10 DCCDRO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCOCC2)cc1 ZINC000772465379 668773945 /nfs/dbraw/zinc/77/39/45/668773945.db2.gz FZLAYCZEHBQYHF-ZDUSSCGKSA-N 1 0 316.409 0.940 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1 ZINC000775645721 668866106 /nfs/dbraw/zinc/86/61/06/668866106.db2.gz PPUQVNRBRFPITC-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(N(C)CC[N@H+](C)CCc2nnnn2C)cc1 ZINC000878805961 668931736 /nfs/dbraw/zinc/93/17/36/668931736.db2.gz VCXWCYJTXRZCEP-UHFFFAOYSA-N 1 0 304.398 0.829 20 10 DCCDRO COC[C@](C)(CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000879161188 668990698 /nfs/dbraw/zinc/99/06/98/668990698.db2.gz UWCDMADCXNHFEG-KRWDZBQOSA-N 1 0 323.437 0.698 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)c(OC)c1 ZINC000879461341 669038313 /nfs/dbraw/zinc/03/83/13/669038313.db2.gz AUDNKIIUAOMZIX-ZDUSSCGKSA-N 1 0 319.405 0.962 20 10 DCCDRO C[N@H+](C[C@@H](O)Cn1cc(COc2ccc(N)cc2)nn1)C1CC1 ZINC000881420611 669340561 /nfs/dbraw/zinc/34/05/61/669340561.db2.gz MDBSEDXNECNXHY-OAHLLOKOSA-N 1 0 317.393 0.894 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1COC[C@@H]1C)cc2=O ZINC000932488537 669374825 /nfs/dbraw/zinc/37/48/25/669374825.db2.gz NRFKHVHLVZXXIE-JOYOIKCWSA-N 1 0 320.349 0.736 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CCNC2=O)cc1 ZINC000884010180 669810604 /nfs/dbraw/zinc/81/06/04/669810604.db2.gz URYMGLIEPAVAFY-JSGCOSHPSA-N 1 0 304.394 0.395 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CCNC2=O)cc1 ZINC000884010181 669811233 /nfs/dbraw/zinc/81/12/33/669811233.db2.gz URYMGLIEPAVAFY-OCCSQVGLSA-N 1 0 304.394 0.395 20 10 DCCDRO CCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c(O)c1 ZINC000850360623 670909444 /nfs/dbraw/zinc/90/94/44/670909444.db2.gz IDBJCIMCCPQOCK-TZMCWYRMSA-N 1 0 315.391 0.693 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@H]3COCC[NH2+]3)C2)cc1 ZINC000851639326 671002567 /nfs/dbraw/zinc/00/25/67/671002567.db2.gz DAOVTYXYFHEPJL-KBPBESRZSA-N 1 0 319.405 0.769 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000851655719 671005379 /nfs/dbraw/zinc/00/53/79/671005379.db2.gz VAHVOTKAWWBWMI-ZDUSSCGKSA-N 1 0 306.410 0.930 20 10 DCCDRO Nc1nc(N(Cc2ccccc2O)C[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000858460266 671006467 /nfs/dbraw/zinc/00/64/67/671006467.db2.gz XJRRVSMPHNTGGO-NSHDSACASA-N 1 0 316.365 0.927 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCSc1nccs1 ZINC000851685023 671013000 /nfs/dbraw/zinc/01/30/00/671013000.db2.gz LAUVAIXMOLTYOE-VIFPVBQESA-N 1 0 316.452 0.466 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000851685861 671013620 /nfs/dbraw/zinc/01/36/20/671013620.db2.gz WWINCVMVTXWVCK-UHFFFAOYSA-N 1 0 306.410 0.484 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C3=NO[C@H](C[NH3+])C3)C2)cc1 ZINC000852899785 671189792 /nfs/dbraw/zinc/18/97/92/671189792.db2.gz BWFBQKNNQQNWPR-RISCZKNCSA-N 1 0 318.377 0.494 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000852916536 671194370 /nfs/dbraw/zinc/19/43/70/671194370.db2.gz ADWPQOFIHJOXQB-UHFFFAOYSA-N 1 0 306.410 0.518 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000825973554 671476418 /nfs/dbraw/zinc/47/64/18/671476418.db2.gz LBCRCXDUKMTOEU-OAHLLOKOSA-N 1 0 318.421 0.627 20 10 DCCDRO CCN1CCO[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283725 671713038 /nfs/dbraw/zinc/71/30/38/671713038.db2.gz AONKZBPNIXEFQD-HZPDHXFCSA-N 1 0 320.437 0.589 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCN(C)C(=O)C2)cc1 ZINC000832282001 671713117 /nfs/dbraw/zinc/71/31/17/671713117.db2.gz XERLAPYXQJUWOS-HIFRSBDPSA-N 1 0 318.421 0.737 20 10 DCCDRO CCN1CCO[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283726 671713147 /nfs/dbraw/zinc/71/31/47/671713147.db2.gz AONKZBPNIXEFQD-JKSUJKDBSA-N 1 0 320.437 0.589 20 10 DCCDRO CCCC(=O)NCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300184 671713974 /nfs/dbraw/zinc/71/39/74/671713974.db2.gz NSBZGEWMTHGACX-CQSZACIVSA-N 1 0 306.410 0.785 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000841762381 671953130 /nfs/dbraw/zinc/95/31/30/671953130.db2.gz WYFPUPCIZGHJJU-GFCCVEGCSA-N 1 0 310.373 0.761 20 10 DCCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842035761 671977909 /nfs/dbraw/zinc/97/79/09/671977909.db2.gz IKRRGXNLVKNDCD-TZMCWYRMSA-N 1 0 318.421 0.565 20 10 DCCDRO C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149792 671985791 /nfs/dbraw/zinc/98/57/91/671985791.db2.gz FQTACBFFVLYMQY-NSHDSACASA-N 1 0 304.394 0.149 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)ccc21 ZINC000842151001 671986244 /nfs/dbraw/zinc/98/62/44/671986244.db2.gz ZQWPHUZTVLMDCJ-AWEZNQCLSA-N 1 0 316.405 0.163 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cn(C)cn2)cc1 ZINC000842785836 672037444 /nfs/dbraw/zinc/03/74/44/672037444.db2.gz WKLGGKLQECUOOQ-CYBMUJFWSA-N 1 0 323.422 0.464 20 10 DCCDRO Cn1cc(CN2CCCc3cc(C[NH3+])ccc32)c(=O)n(C)c1=O ZINC000843057095 672056942 /nfs/dbraw/zinc/05/69/42/672056942.db2.gz AJISOVDPWZYLIY-UHFFFAOYSA-N 1 0 314.389 0.496 20 10 DCCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000843261898 672076918 /nfs/dbraw/zinc/07/69/18/672076918.db2.gz NLVDSPOQEKWTPA-WDEREUQCSA-N 1 0 324.400 0.750 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC(=O)NC2)cc1 ZINC000843299704 672080515 /nfs/dbraw/zinc/08/05/15/672080515.db2.gz WAXZRGVFVRLDGH-OCCSQVGLSA-N 1 0 304.394 0.395 20 10 DCCDRO CC[NH2+]CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000844190186 672160563 /nfs/dbraw/zinc/16/05/63/672160563.db2.gz FLHSSSQSXRVCLJ-UHFFFAOYSA-N 1 0 320.437 0.543 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2=NN(C)C(=O)CC2)cc1 ZINC000846663677 672334515 /nfs/dbraw/zinc/33/45/15/672334515.db2.gz LMOXYXMXSVFFFT-CYBMUJFWSA-N 1 0 317.393 0.477 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001576051829 1164225032 /nfs/dbraw/zinc/22/50/32/1164225032.db2.gz DXQNMGICWXGCAW-BDJLRTHQSA-N 1 0 308.378 0.901 20 10 DCCDRO O=C(NCc1cccc(O)c1O)C1(n2cccn2)CC[NH2+]CC1 ZINC001580718432 1165698866 /nfs/dbraw/zinc/69/88/66/1165698866.db2.gz IEYILAVKMRNBFJ-UHFFFAOYSA-N 1 0 316.361 0.689 20 10 DCCDRO CN(CCC[NH+](C)C)CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001584194667 1166314068 /nfs/dbraw/zinc/31/40/68/1166314068.db2.gz DBKRXQCBXHSLGQ-UHFFFAOYSA-N 1 0 309.410 0.640 20 10 DCCDRO C[C@H](O)C[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001662429525 1174208243 /nfs/dbraw/zinc/20/82/43/1174208243.db2.gz LPGLUCPXBAAQKS-UWVGGRQHSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1cc(O)c(C[NH2+]C[C@H](O)Cn2ccnn2)cc1OC ZINC001664958586 1174470683 /nfs/dbraw/zinc/47/06/83/1174470683.db2.gz LUPYUAOKJIZOEU-NSHDSACASA-N 1 0 308.338 0.152 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(C(N)=O)CC2)cc1C ZINC001699376742 1178109334 /nfs/dbraw/zinc/10/93/34/1178109334.db2.gz BKYFHRUYPJSOCZ-GFCCVEGCSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)cc1C ZINC001699421055 1178129354 /nfs/dbraw/zinc/12/93/54/1178129354.db2.gz YSEOUWNBWCOPAQ-WCQYABFASA-N 1 0 320.393 0.279 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccon2)cc1C ZINC001700782920 1178739414 /nfs/dbraw/zinc/73/94/14/1178739414.db2.gz DFJAYKSRUPOLDL-CYBMUJFWSA-N 1 0 319.361 0.872 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)OC)cc1C ZINC001725691414 1184944685 /nfs/dbraw/zinc/94/46/85/1184944685.db2.gz ZZSOPKPGUSYTIH-UKRRQHHQSA-N 1 0 324.421 0.947 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)Cn2cnnn2)cc1C ZINC001731889013 1185550075 /nfs/dbraw/zinc/55/00/75/1185550075.db2.gz COHGXWFUNCOFFS-UHFFFAOYSA-N 1 0 318.381 0.238 20 10 DCCDRO CC(C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001753950085 1188693678 /nfs/dbraw/zinc/69/36/78/1188693678.db2.gz ZRGWIYUFZQDFHP-GFCCVEGCSA-N 1 0 307.354 0.938 20 10 DCCDRO C[C@H]1C(=O)NN=C2COc3ccc(N4CC[C@H]([NH3+])C4)cc3N21 ZINC001164286404 756671889 /nfs/dbraw/zinc/67/18/89/756671889.db2.gz NPZDADMHMVWUDD-UWVGGRQHSA-N 1 0 301.350 0.255 20 10 DCCDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cccc(O)c2O)O1 ZINC001148224405 767941563 /nfs/dbraw/zinc/94/15/63/767941563.db2.gz KIYWZSURXRHBQZ-JMSVASOKSA-N 1 0 310.350 0.552 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CCn2cncn2)cc1C ZINC001123676686 768043156 /nfs/dbraw/zinc/04/31/56/768043156.db2.gz UUWJLRPLSFKWNO-UHFFFAOYSA-N 1 0 317.393 0.891 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCN(C)C2=O)cc1C ZINC001132612899 764542733 /nfs/dbraw/zinc/54/27/33/764542733.db2.gz VKSCJEMNHRSQCD-AWEZNQCLSA-N 1 0 319.405 0.688 20 10 DCCDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O)cc(OC)n1 ZINC001134871888 765719396 /nfs/dbraw/zinc/71/93/96/765719396.db2.gz GTKXZUHNFRXYEL-UWVGGRQHSA-N 1 0 324.381 0.071 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001118554673 766357300 /nfs/dbraw/zinc/35/73/00/766357300.db2.gz YOFBWPIQMVYXBT-UHFFFAOYSA-N 1 0 303.362 0.219 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3COCC[C@H]3O)cc2F)CC1 ZINC001118926331 766472806 /nfs/dbraw/zinc/47/28/06/766472806.db2.gz JAONRAKVESHYHT-NVXWUHKLSA-N 1 0 323.412 0.817 20 10 DCCDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119421235 766672611 /nfs/dbraw/zinc/67/26/11/766672611.db2.gz RUBZIUBSPLDFRI-RISCZKNCSA-N 1 0 317.389 0.868 20 10 DCCDRO Oc1cc(O)c(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001144504315 766960082 /nfs/dbraw/zinc/96/00/82/766960082.db2.gz PFEGHTWPBBITLF-GFCCVEGCSA-N 1 0 323.267 0.929 20 10 DCCDRO [NH3+]CCN(C(=O)CN1C(=O)CSC1=S)c1cccnc1 ZINC001144848113 767064731 /nfs/dbraw/zinc/06/47/31/767064731.db2.gz CCMVZLMZCOVNRJ-UHFFFAOYSA-N 1 0 310.404 0.234 20 10 DCCDRO O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)NCc1ccccc1O ZINC001121952270 767679996 /nfs/dbraw/zinc/67/99/96/767679996.db2.gz UKPVXSFJHGXTRH-DYEKYZERSA-N 1 0 324.402 0.031 20 10 DCCDRO C[NH+](C)CCN1CCN(Cc2cc(O)c(O)cc2O)CCC1=O ZINC001233486505 769371703 /nfs/dbraw/zinc/37/17/03/769371703.db2.gz OWZAKOVSQLPGQR-UHFFFAOYSA-N 1 0 323.393 0.399 20 10 DCCDRO O=C1CC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)CC(=O)N1 ZINC001233486241 769371977 /nfs/dbraw/zinc/37/19/77/769371977.db2.gz FBCRZFIPMKKRDA-UHFFFAOYSA-N 1 0 320.345 0.822 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+][C@@H]2CCNC2=O)cc1 ZINC001153048138 769704686 /nfs/dbraw/zinc/70/46/86/769704686.db2.gz UQSXNTHOQVBOCK-LLVKDONJSA-N 1 0 318.337 0.057 20 10 DCCDRO COc1cc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c(OC)c1 ZINC001235059938 769755636 /nfs/dbraw/zinc/75/56/36/769755636.db2.gz DAABAGWJHJIRNK-INIZCTEOSA-N 1 0 307.394 0.547 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)Cn2cncn2)cc1C ZINC001175472687 769906058 /nfs/dbraw/zinc/90/60/58/769906058.db2.gz ZFAJHDBKQZWFLG-UHFFFAOYSA-N 1 0 317.393 0.891 20 10 DCCDRO [O-]c1c(F)ccc(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869327 769953831 /nfs/dbraw/zinc/95/38/31/769953831.db2.gz BAJPOMQFYQHMOY-UHFFFAOYSA-N 1 0 314.380 0.255 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)c(O)cc1O ZINC001236199416 769983427 /nfs/dbraw/zinc/98/34/27/769983427.db2.gz FIROXARCZUJCSI-WPRPVWTQSA-N 1 0 300.742 0.826 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2c(c1)OCCN2C ZINC001236201330 769984520 /nfs/dbraw/zinc/98/45/20/769984520.db2.gz WSQFAOXVFXRKIY-JSGCOSHPSA-N 1 0 305.378 0.590 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2OC)C[C@@H]1[NH3+] ZINC001236348951 770003266 /nfs/dbraw/zinc/00/32/66/770003266.db2.gz FFTGOVBUNZGMCT-KBPBESRZSA-N 1 0 307.394 0.693 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(OC)cc(OC)c2O)C[C@H]1[NH3+] ZINC001236351463 770004430 /nfs/dbraw/zinc/00/44/30/770004430.db2.gz LQUQQTPMCTVGNR-NWDGAFQWSA-N 1 0 310.350 0.342 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c(OC)c1 ZINC001237670222 770072004 /nfs/dbraw/zinc/07/20/04/770072004.db2.gz QWBJZSPVBSKNOO-GDBMZVCRSA-N 1 0 311.378 0.975 20 10 DCCDRO CNC(=O)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238062 770386272 /nfs/dbraw/zinc/38/62/72/770386272.db2.gz PIOPBXJPQOJUEJ-UHFFFAOYSA-N 1 0 320.353 0.305 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 ZINC001181591830 771312736 /nfs/dbraw/zinc/31/27/36/771312736.db2.gz VQQPZIZJFCTZJV-ZBEGNZNMSA-N 1 0 319.361 0.869 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)NC(N)=O)cc1C ZINC001157044383 771522913 /nfs/dbraw/zinc/52/29/13/771522913.db2.gz NINZBLANIHHTQC-LBPRGKRZSA-N 1 0 322.409 0.656 20 10 DCCDRO CCOC(=O)[C@@H]1NC(=O)c2cc(N3CC[C@@H]([NH3+])C3)ccc2O1 ZINC001164281701 772635937 /nfs/dbraw/zinc/63/59/37/772635937.db2.gz KTQBMKRQVGAXGR-YMTOWFKASA-N 1 0 305.334 0.235 20 10 DCCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000400218587 774024650 /nfs/dbraw/zinc/02/46/50/774024650.db2.gz MSQFIIJMQVCHAC-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO COC(=O)[C@H]1NCC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218350620 774222113 /nfs/dbraw/zinc/22/21/13/774222113.db2.gz NPJJRCWUJZONCQ-CABCVRRESA-N 1 0 305.378 0.379 20 10 DCCDRO Nc1ccc(CC(=O)NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001219751203 774598376 /nfs/dbraw/zinc/59/83/76/774598376.db2.gz OFKMPGPQKPXKOW-UHFFFAOYSA-N 1 0 300.366 0.213 20 10 DCCDRO CC(C)(C)OC[C@H]([NH3+])CC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220489772 774824170 /nfs/dbraw/zinc/82/41/70/774824170.db2.gz GXFFOYCTJULAER-LLVKDONJSA-N 1 0 324.377 0.929 20 10 DCCDRO COCC[NH+]1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226468003 775822253 /nfs/dbraw/zinc/82/22/53/775822253.db2.gz LMBPIGZJRGTZBX-UHFFFAOYSA-N 1 0 315.322 0.704 20 10 DCCDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001270037670 940821324 /nfs/dbraw/zinc/82/13/24/940821324.db2.gz OISVFDYNMKHESY-UHFFFAOYSA-N 1 0 305.378 0.417 20 10 DCCDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c1O ZINC001272625828 942872953 /nfs/dbraw/zinc/87/29/53/942872953.db2.gz ORZZCNCOKQQASQ-MRXNPFEDSA-N 1 0 306.362 0.834 20 10 DCCDRO COC(=O)Cc1ccc(CN2CCOC[C@@H]2C[NH+](C)C)c(O)c1 ZINC001249214943 945623571 /nfs/dbraw/zinc/62/35/71/945623571.db2.gz SSMISVUQBAKSKE-HNNXBMFYSA-N 1 0 322.405 0.870 20 10 DCCDRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001256011989 946572614 /nfs/dbraw/zinc/57/26/14/946572614.db2.gz VJYJPUDVYQPLPQ-RISCZKNCSA-N 1 0 310.350 0.952 20 10 DCCDRO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001261384069 947269115 /nfs/dbraw/zinc/26/91/15/947269115.db2.gz FEGOMOGOLQDQHC-UHFFFAOYSA-N 1 0 307.394 0.984 20 10 DCCDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001325713749 947891548 /nfs/dbraw/zinc/89/15/48/947891548.db2.gz UCGMLWWLKDJORQ-NSHDSACASA-N 1 0 324.400 0.622 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(=O)[nH]n2)cc1 ZINC001326354469 948137500 /nfs/dbraw/zinc/13/75/00/948137500.db2.gz WJMMLSHLVTXUAZ-GFCCVEGCSA-N 1 0 301.350 0.678 20 10 DCCDRO C[C@H]([NH2+]CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1O ZINC001330705959 950600268 /nfs/dbraw/zinc/60/02/68/950600268.db2.gz NPHGQBXCAPHRNS-NSHDSACASA-N 1 0 305.378 0.767 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@@H](C1)O2 ZINC001275418990 952134980 /nfs/dbraw/zinc/13/49/80/952134980.db2.gz OMYVETBXMPIODJ-IYBDPMFKSA-N 1 0 321.421 0.544 20 10 DCCDRO COCCOCN1CC2(C1)C[NH+](Cc1ccc(O)cc1O)C2 ZINC001275952745 952556355 /nfs/dbraw/zinc/55/63/55/952556355.db2.gz LUOQZCUVSGRSPR-UHFFFAOYSA-N 1 0 308.378 0.836 20 10 DCCDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001336295857 952673657 /nfs/dbraw/zinc/67/36/57/952673657.db2.gz QTNXHCUQKIZFAL-UHTWSYAYSA-N 1 0 315.373 0.573 20 10 DCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCSc1nccs1 ZINC001339937910 953131964 /nfs/dbraw/zinc/13/19/64/953131964.db2.gz CZUOITCOJMQRDR-UWVGGRQHSA-N 1 0 303.453 0.958 20 10 DCCDRO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001346026492 953785525 /nfs/dbraw/zinc/78/55/25/953785525.db2.gz BSRXPPYMNLAYGR-CMPLNLGQSA-N 1 0 303.362 0.478 20 10 DCCDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1Cc2cccc(O)c2C1 ZINC001346037866 953789950 /nfs/dbraw/zinc/78/99/50/953789950.db2.gz XLQSTZCPVKAOGP-CYZMBNFOSA-N 1 0 301.346 0.244 20 10 DCCDRO CC[NH+]1CCN(CCC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000270572511 395785403 /nfs/dbraw/zinc/78/54/03/395785403.db2.gz ZYXCXSULMBZHDZ-UHFFFAOYSA-N 1 0 321.421 0.784 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000279488109 396178661 /nfs/dbraw/zinc/17/86/61/396178661.db2.gz URKJRCRDMQWNMA-OAHLLOKOSA-N 1 0 305.334 0.575 20 10 DCCDRO Cc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(O)c1O ZINC000177686794 396181255 /nfs/dbraw/zinc/18/12/55/396181255.db2.gz CEPKXDLEZROXJO-LBPRGKRZSA-N 1 0 307.394 0.772 20 10 DCCDRO C[N@H+](CCC(=O)NC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000011193362 415147937 /nfs/dbraw/zinc/14/79/37/415147937.db2.gz JSRXAPUAAWCSJR-UHFFFAOYSA-N 1 0 320.393 0.540 20 10 DCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000290325534 415791851 /nfs/dbraw/zinc/79/18/51/415791851.db2.gz OPKDQINIQSGJNW-CQSZACIVSA-N 1 0 307.394 0.992 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269278643 276803985 /nfs/dbraw/zinc/80/39/85/276803985.db2.gz YWKDWVDLWVSOPR-CYBMUJFWSA-N 1 0 305.378 0.857 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](CC)CO)cc2=O ZINC000295682309 335137079 /nfs/dbraw/zinc/13/70/79/335137079.db2.gz KMFRAAIOGCZZGC-NSHDSACASA-N 1 0 322.365 0.814 20 10 DCCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000180372327 524733443 /nfs/dbraw/zinc/73/34/43/524733443.db2.gz CBIFKJJHVYJPDN-CQSZACIVSA-N 1 0 310.394 0.526 20 10 DCCDRO CCOc1cccc(C[NH2+]CCNS(=O)(=O)N(C)C)c1O ZINC000298170485 528653580 /nfs/dbraw/zinc/65/35/80/528653580.db2.gz UFPDHJDQPZHNAL-UHFFFAOYSA-N 1 0 317.411 0.277 20 10 DCCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1Cl ZINC001665359248 1174509901 /nfs/dbraw/zinc/50/99/01/1174509901.db2.gz JQSRTPJKBDCHJW-AOOOYVTPSA-N 1 0 311.769 0.373 20 10 DCCDRO OCCC[N@H+](CCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093323962 659495965 /nfs/dbraw/zinc/49/59/65/659495965.db2.gz RMSABFRJRSSFCI-UHFFFAOYSA-N 1 0 312.385 0.839 20 10 DCCDRO COc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1O ZINC000897041387 662386529 /nfs/dbraw/zinc/38/65/29/662386529.db2.gz LSIKKPDRVROVTC-ZDUSSCGKSA-N 1 0 320.389 0.864 20 10 DCCDRO COc1ccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c(O)c1 ZINC000897629776 662916970 /nfs/dbraw/zinc/91/69/70/662916970.db2.gz SDCRHOYCVLHTML-CYBMUJFWSA-N 1 0 306.362 0.738 20 10 DCCDRO COc1cccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c1O ZINC000897832703 662928099 /nfs/dbraw/zinc/92/80/99/662928099.db2.gz VYYDSXJICXOJER-UHFFFAOYSA-N 1 0 314.407 0.916 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NCC2C[NH+](CCCO)C2)cc1 ZINC001032216178 666505274 /nfs/dbraw/zinc/50/52/74/666505274.db2.gz YVCCPAJKMKXHAB-UHFFFAOYSA-N 1 0 319.365 0.893 20 10 DCCDRO COc1cccc(CNC(=O)NCC2([NH3+])CCOCC2)c1O ZINC000861669081 666956016 /nfs/dbraw/zinc/95/60/16/666956016.db2.gz HXBQFYKAHXBHGV-UHFFFAOYSA-N 1 0 309.366 0.708 20 10 DCCDRO Fc1cc(C[NH2+]C[C@@H]2COCCN2)ccc1N1CCOCC1 ZINC000863485411 667149040 /nfs/dbraw/zinc/14/90/40/667149040.db2.gz JKZQANFZGSEYSF-CQSZACIVSA-N 1 0 309.385 0.740 20 10 DCCDRO COc1cccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c1O ZINC000865767911 667344728 /nfs/dbraw/zinc/34/47/28/667344728.db2.gz ADWJYWASKFFDSW-OAHLLOKOSA-N 1 0 308.334 0.712 20 10 DCCDRO O=C1OC[C@@]2(C[NH2+]Cc3ccc4c(c3)CCO4)COCCN12 ZINC000865768331 667345021 /nfs/dbraw/zinc/34/50/21/667345021.db2.gz GOXPPTCGBQVPMT-MRXNPFEDSA-N 1 0 304.346 0.932 20 10 DCCDRO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccccc1O ZINC000866556013 667381428 /nfs/dbraw/zinc/38/14/28/667381428.db2.gz PITOGDKYYQOPEB-LRDDRELGSA-N 1 0 306.362 0.671 20 10 DCCDRO CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000866745207 667393201 /nfs/dbraw/zinc/39/32/01/667393201.db2.gz UQNDKAUSEJUXTN-AWEZNQCLSA-N 1 0 313.423 0.160 20 10 DCCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000749125463 667946854 /nfs/dbraw/zinc/94/68/54/667946854.db2.gz GTCBHOHWBHUMGX-JSGCOSHPSA-N 1 0 318.421 0.742 20 10 DCCDRO COc1ccc(C[NH2+]C[C@](C)(O)CO)cc1Cn1cccn1 ZINC000873117013 667973932 /nfs/dbraw/zinc/97/39/32/667973932.db2.gz GMRXMWFVJJWQMM-INIZCTEOSA-N 1 0 305.378 0.773 20 10 DCCDRO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(F)ccc1O ZINC000925790592 668349388 /nfs/dbraw/zinc/34/93/88/668349388.db2.gz BUFZNMPRWKKIOS-CMPLNLGQSA-N 1 0 316.398 0.959 20 10 DCCDRO CN1CCCc2cc(CNC(=O)CN3CC[NH2+]CC3)ccc21 ZINC000876741824 668500070 /nfs/dbraw/zinc/50/00/70/668500070.db2.gz WAZQDJOHTHDHCR-UHFFFAOYSA-N 1 0 302.422 0.590 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)cc1 ZINC000876748309 668501033 /nfs/dbraw/zinc/50/10/33/668501033.db2.gz AZTRYQDZJQTOTD-JKSUJKDBSA-N 1 0 319.405 0.896 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCOC3)cc2)CC1 ZINC000765981526 668517413 /nfs/dbraw/zinc/51/74/13/668517413.db2.gz WGHRUFAMVFMSGG-AWEZNQCLSA-N 1 0 310.419 0.800 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C2)cc1 ZINC000876959834 668543391 /nfs/dbraw/zinc/54/33/91/668543391.db2.gz PZQRAIIQQOGEEU-DOMZBBRYSA-N 1 0 306.410 0.279 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1O ZINC000877592390 668632231 /nfs/dbraw/zinc/63/22/31/668632231.db2.gz OHXNTIZRFDWZRT-CRAIPNDOSA-N 1 0 320.433 0.823 20 10 DCCDRO CCOc1ccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c(O)c1 ZINC000769467993 668649606 /nfs/dbraw/zinc/64/96/06/668649606.db2.gz CXDZAVNDUZEGQA-HNNXBMFYSA-N 1 0 324.421 0.916 20 10 DCCDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000775835030 668868460 /nfs/dbraw/zinc/86/84/60/668868460.db2.gz DBVNZPCZIOCOGU-CHWSQXEVSA-N 1 0 320.437 0.996 20 10 DCCDRO C[NH2+]Cc1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881084371 669294264 /nfs/dbraw/zinc/29/42/64/669294264.db2.gz SRYIKFMJKKPFRK-UHFFFAOYSA-N 1 0 316.409 0.722 20 10 DCCDRO C[C@H](NC(N)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881848753 669398294 /nfs/dbraw/zinc/39/82/94/669398294.db2.gz AJPFLGGZVHIIMA-LBPRGKRZSA-N 1 0 319.409 0.111 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCNC3=O)cc2)CC1 ZINC000881853328 669398718 /nfs/dbraw/zinc/39/87/18/669398718.db2.gz RGPSJOLXJNFFAV-HNNXBMFYSA-N 1 0 316.405 0.191 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)CC1 ZINC000881853309 669398786 /nfs/dbraw/zinc/39/87/86/669398786.db2.gz QSMSLXFBRMCJFT-HUUCEWRRSA-N 1 0 318.377 0.720 20 10 DCCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)NS(C)(=O)=O)c1 ZINC000109041509 670877481 /nfs/dbraw/zinc/87/74/81/670877481.db2.gz KOUJEYZGUNERHQ-UHFFFAOYSA-N 1 0 302.396 0.818 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000850360277 670909638 /nfs/dbraw/zinc/90/96/38/670909638.db2.gz CLZSWEXDXNSFIG-JSGCOSHPSA-N 1 0 315.391 0.693 20 10 DCCDRO O=C(c1c(F)ccc(O)c1O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000857334644 670910679 /nfs/dbraw/zinc/91/06/79/670910679.db2.gz HRQTXHUFHSVYTQ-LLVKDONJSA-N 1 0 324.352 0.908 20 10 DCCDRO [NH3+]CCn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)nn1 ZINC000852811893 671164424 /nfs/dbraw/zinc/16/44/24/671164424.db2.gz VGVQJHJUFBIXTG-UHFFFAOYSA-N 1 0 315.377 0.751 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C[NH3+])OC)C2)cc1 ZINC000852843975 671172491 /nfs/dbraw/zinc/17/24/91/671172491.db2.gz LNFMTUKVJRZGMZ-IUODEOHRSA-N 1 0 307.394 0.754 20 10 DCCDRO C[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccccc1O ZINC000111235300 671226154 /nfs/dbraw/zinc/22/61/54/671226154.db2.gz OLHBBBQRYHCYIV-UHFFFAOYSA-N 1 0 319.405 0.953 20 10 DCCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3[NH3+])cc2)C1 ZINC000827469107 671528727 /nfs/dbraw/zinc/52/87/27/671528727.db2.gz MKHGOWFBNIQIDT-VHDGCEQUSA-N 1 0 316.405 0.352 20 10 DCCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469320 671528800 /nfs/dbraw/zinc/52/88/00/671528800.db2.gz URZNWPJYEBSWAK-DZGCQCFKSA-N 1 0 318.421 0.742 20 10 DCCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469102 671528813 /nfs/dbraw/zinc/52/88/13/671528813.db2.gz MHIDKSTYDOWVDA-JSGCOSHPSA-N 1 0 318.421 0.599 20 10 DCCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469517 671528822 /nfs/dbraw/zinc/52/88/22/671528822.db2.gz ZYIHXZDVDLFACG-DGCLKSJQSA-N 1 0 304.394 0.352 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)C[C@@H](C)[NH3+])CC2)cc1 ZINC000829505045 671578203 /nfs/dbraw/zinc/57/82/03/671578203.db2.gz JTQCJUCMHOGGEV-CQSZACIVSA-N 1 0 320.437 0.671 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)C[C@H](C)[NH3+])CC2)cc1 ZINC000829505043 671578264 /nfs/dbraw/zinc/57/82/64/671578264.db2.gz JTQCJUCMHOGGEV-AWEZNQCLSA-N 1 0 320.437 0.671 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2nccnc2N)cc1 ZINC000832293219 671713643 /nfs/dbraw/zinc/71/36/43/671713643.db2.gz RMATXOJFOVZXSP-GFCCVEGCSA-N 1 0 300.366 0.555 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000841762383 671953032 /nfs/dbraw/zinc/95/30/32/671953032.db2.gz WYFPUPCIZGHJJU-LBPRGKRZSA-N 1 0 310.373 0.761 20 10 DCCDRO Nc1ccc(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000841791200 671956457 /nfs/dbraw/zinc/95/64/57/671956457.db2.gz PJTDQVGSCDBHLT-CVEARBPZSA-N 1 0 318.421 0.974 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnc(N)cn2)cc1 ZINC000841846826 671959709 /nfs/dbraw/zinc/95/97/09/671959709.db2.gz WIMZPGQDUXRWEA-GFCCVEGCSA-N 1 0 300.366 0.555 20 10 DCCDRO Nc1ccc(CCNC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000841919050 671965968 /nfs/dbraw/zinc/96/59/68/671965968.db2.gz FWGDJTIPRWOWPP-UHFFFAOYSA-N 1 0 305.426 0.406 20 10 DCCDRO COc1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)c(O)c1 ZINC000841920754 671966565 /nfs/dbraw/zinc/96/65/65/671966565.db2.gz YHVVGJWQUUANDC-UHFFFAOYSA-N 1 0 322.409 0.495 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1F ZINC000842148990 671986005 /nfs/dbraw/zinc/98/60/05/671986005.db2.gz RNPZJLAGQGXTAY-NSHDSACASA-N 1 0 308.357 0.068 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000842153818 671986946 /nfs/dbraw/zinc/98/69/46/671986946.db2.gz QJCCLVNEZGVFHU-AWEZNQCLSA-N 1 0 318.421 0.627 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1C[NH2+]C1 ZINC000842237125 671998539 /nfs/dbraw/zinc/99/85/39/671998539.db2.gz YPOTUBOXQDAXEY-UHFFFAOYSA-N 1 0 305.378 0.609 20 10 DCCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000843258461 672075258 /nfs/dbraw/zinc/07/52/58/672075258.db2.gz APAVCGDDDBMEFN-VXGBXAGGSA-N 1 0 306.410 0.611 20 10 DCCDRO COc1cccc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1O ZINC000843428951 672094709 /nfs/dbraw/zinc/09/47/09/672094709.db2.gz PFVQGPUALWMXJE-GFCCVEGCSA-N 1 0 307.394 0.953 20 10 DCCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC[NH2+]1 ZINC000843489277 672103636 /nfs/dbraw/zinc/10/36/36/672103636.db2.gz LXPVDLKSJLMMMV-LLVKDONJSA-N 1 0 312.753 0.909 20 10 DCCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)cc1 ZINC000844400032 672179435 /nfs/dbraw/zinc/17/94/35/672179435.db2.gz STIXBRFXUYZZBX-NSHDSACASA-N 1 0 308.382 0.647 20 10 DCCDRO COc1cc(O)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1OC ZINC000846067527 672291891 /nfs/dbraw/zinc/29/18/91/672291891.db2.gz HDXGJOCZCBEYGK-CYBMUJFWSA-N 1 0 308.378 0.660 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c1O ZINC000846172641 672298967 /nfs/dbraw/zinc/29/89/67/672298967.db2.gz ZTEHTRFHLQWNNT-IINYFYTJSA-N 1 0 315.391 0.601 20 10 DCCDRO Cc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(O)c1O ZINC001540468600 1159799637 /nfs/dbraw/zinc/79/96/37/1159799637.db2.gz PBIGBFNVZFHVPM-UHFFFAOYSA-N 1 0 307.394 0.726 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)NC(N)=O)cc1C ZINC001567012283 1160207918 /nfs/dbraw/zinc/20/79/18/1160207918.db2.gz RVJBMZCAURGDNW-RYUDHWBXSA-N 1 0 322.409 0.655 20 10 DCCDRO CO[C@@H]1C[NH2+]C[C@@H]1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC001573966642 1163610204 /nfs/dbraw/zinc/61/02/04/1163610204.db2.gz LNNJRDOJJUASFH-KGLIPLIRSA-N 1 0 313.423 0.159 20 10 DCCDRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCc1c(O)cccc1O ZINC001575441453 1164015924 /nfs/dbraw/zinc/01/59/24/1164015924.db2.gz BVVGWPIAMPAHEQ-CQSZACIVSA-N 1 0 309.366 0.204 20 10 DCCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001576610775 1164411557 /nfs/dbraw/zinc/41/15/57/1164411557.db2.gz FXXAJJUZTITYLE-IUCAKERBSA-N 1 0 313.379 0.325 20 10 DCCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1C[NH2+]CCO1 ZINC001577951313 1164858928 /nfs/dbraw/zinc/85/89/28/1164858928.db2.gz KEFIHIAOAQJERJ-AWEZNQCLSA-N 1 0 308.378 0.746 20 10 DCCDRO Cc1cc(O)c(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001659753892 1173935785 /nfs/dbraw/zinc/93/57/85/1173935785.db2.gz KNDIUVNKGPDFHL-IUCAKERBSA-N 1 0 311.769 0.373 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnon2)cc1C ZINC001667910995 1174731873 /nfs/dbraw/zinc/73/18/73/1174731873.db2.gz DJVHNNITOVPACA-GFCCVEGCSA-N 1 0 320.349 0.267 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H](O)C(C)C)cc1C ZINC001734366290 1186627086 /nfs/dbraw/zinc/62/70/86/1186627086.db2.gz SKMSNBTZLOKBML-GOEBONIOSA-N 1 0 324.421 0.587 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2COCCN2C)cc1C ZINC001125944404 748129510 /nfs/dbraw/zinc/12/95/10/748129510.db2.gz BHOCJTLOESOYAY-OAHLLOKOSA-N 1 0 321.421 0.540 20 10 DCCDRO COCCC1([NH3+])CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148591113 768021391 /nfs/dbraw/zinc/02/13/91/768021391.db2.gz UXQDTVNQSPVJFK-UHFFFAOYSA-N 1 0 310.350 0.773 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCNC3=O)cc2F)CC1 ZINC001118629680 766380449 /nfs/dbraw/zinc/38/04/49/766380449.db2.gz HVZLQJHVCKDPSQ-AWEZNQCLSA-N 1 0 306.385 0.556 20 10 DCCDRO CCCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CC[NH2+]C1 ZINC001118976150 766492045 /nfs/dbraw/zinc/49/20/45/766492045.db2.gz OYGDQWDSRRISMG-ZDUSSCGKSA-N 1 0 317.389 0.835 20 10 DCCDRO C[NH+](C)C1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC001119132698 766553551 /nfs/dbraw/zinc/55/35/51/766553551.db2.gz MBFFQTJCXUIKOA-UHFFFAOYSA-N 1 0 317.389 0.835 20 10 DCCDRO Oc1cc(O)c(C[NH+]2CCN(c3cncnc3)CC2)c(O)c1 ZINC001144515405 766964514 /nfs/dbraw/zinc/96/45/14/766964514.db2.gz NGKDVNDHFAZZHU-UHFFFAOYSA-N 1 0 302.334 0.916 20 10 DCCDRO COc1cc(CN2CCCNC(=O)C2)cc(C[NH+](C)C)c1O ZINC001139255697 768463994 /nfs/dbraw/zinc/46/39/94/768463994.db2.gz ROJUZQAHIYDTMH-UHFFFAOYSA-N 1 0 307.394 0.784 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(OC)c1 ZINC001141031763 768563182 /nfs/dbraw/zinc/56/31/82/768563182.db2.gz KCVFUBBJIQPDAW-HZPDHXFCSA-N 1 0 311.378 0.975 20 10 DCCDRO COCCN1C[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2C1=O ZINC001141160299 768570429 /nfs/dbraw/zinc/57/04/29/768570429.db2.gz UJTJFZCGPAILAE-JSGCOSHPSA-N 1 0 306.362 0.634 20 10 DCCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231639763 769271079 /nfs/dbraw/zinc/27/10/79/769271079.db2.gz JEVSDBRVSDCXJD-NSHDSACASA-N 1 0 311.334 0.870 20 10 DCCDRO COc1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(O)cc1O ZINC001231638988 769271335 /nfs/dbraw/zinc/27/13/35/769271335.db2.gz JNNSHQBCONTXQE-UHFFFAOYSA-N 1 0 321.333 0.280 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CCOCCO)cc1 ZINC001153037746 769701164 /nfs/dbraw/zinc/70/11/64/769701164.db2.gz TVTJYOBNIYTFOK-UHFFFAOYSA-N 1 0 323.353 0.177 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2OC)C[C@H]1[NH3+] ZINC001236348956 770003368 /nfs/dbraw/zinc/00/33/68/770003368.db2.gz FFTGOVBUNZGMCT-UONOGXRCSA-N 1 0 307.394 0.693 20 10 DCCDRO COC(=O)CN1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236812378 770019464 /nfs/dbraw/zinc/01/94/64/770019464.db2.gz DCSHXFOVSLLSDD-UHFFFAOYSA-N 1 0 308.378 1.000 20 10 DCCDRO C[NH+](C)C1CN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)C1 ZINC001155221727 770437992 /nfs/dbraw/zinc/43/79/92/770437992.db2.gz GYFGRHSOBMDDFW-UHFFFAOYSA-N 1 0 304.302 0.590 20 10 DCCDRO O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017946 771397861 /nfs/dbraw/zinc/39/78/61/771397861.db2.gz QNYJWVVOGXRVDX-GFCCVEGCSA-N 1 0 306.362 0.804 20 10 DCCDRO CON(C)C(=O)[C@@H]1CCc2cc(N3CC[C@H]([NH3+])C3)ccc2O1 ZINC001164287074 772636544 /nfs/dbraw/zinc/63/65/44/772636544.db2.gz AWRZTWNXTSZVGF-WFASDCNBSA-N 1 0 305.378 0.937 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246087823 945334090 /nfs/dbraw/zinc/33/40/90/945334090.db2.gz ZSPXSGAAYHYXHK-RTXFEEFZSA-N 1 0 308.378 0.912 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC001269607672 940742063 /nfs/dbraw/zinc/74/20/63/940742063.db2.gz FWIBRPZYLQITAK-TXEJJXNPSA-N 1 0 305.378 0.558 20 10 DCCDRO Nc1ccc(CN[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)cc1 ZINC001246172459 945356170 /nfs/dbraw/zinc/35/61/70/945356170.db2.gz RURWFXSCRVNOQH-KBPBESRZSA-N 1 0 306.435 0.622 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnco2)cc1C ZINC001482753164 941649361 /nfs/dbraw/zinc/64/93/61/941649361.db2.gz HXDJQDJCXXVFBZ-ZDUSSCGKSA-N 1 0 319.361 0.872 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2nc[nH]n2)cc1C ZINC001483182522 941925469 /nfs/dbraw/zinc/92/54/69/941925469.db2.gz BZSHWRLRZLQSCK-GFCCVEGCSA-N 1 0 317.393 0.959 20 10 DCCDRO Cc1ccc(C[N@@H+]2C[C@@H]3C(C(=O)N(C)C)=NO[C@@H]3C2)c(O)c1 ZINC001277568737 944882925 /nfs/dbraw/zinc/88/29/25/944882925.db2.gz OOQLVUWMJYETRN-GXTWGEPZSA-N 1 0 303.362 0.975 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001322107362 946576826 /nfs/dbraw/zinc/57/68/26/946576826.db2.gz LNTLOVMTCCRWNL-CYBMUJFWSA-N 1 0 317.389 0.704 20 10 DCCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC001322695267 946771416 /nfs/dbraw/zinc/77/14/16/946771416.db2.gz QTTXRHDQXKOGLG-OCCSQVGLSA-N 1 0 319.405 0.950 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001262359889 947664581 /nfs/dbraw/zinc/66/45/81/947664581.db2.gz OIGYOJDBIDZEEA-UHFFFAOYSA-N 1 0 318.395 0.438 20 10 DCCDRO CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)[NH+](C)C ZINC001329804456 949886466 /nfs/dbraw/zinc/88/64/66/949886466.db2.gz OVJHSCHHEMDATD-PWSUYJOCSA-N 1 0 324.377 0.638 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001331579081 951178906 /nfs/dbraw/zinc/17/89/06/951178906.db2.gz ODHBHWPAROIXMO-CQSZACIVSA-N 1 0 319.405 0.903 20 10 DCCDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331636238 951210538 /nfs/dbraw/zinc/21/05/38/951210538.db2.gz JNMWJMNWZAGMEP-NSHDSACASA-N 1 0 303.362 0.350 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)ccc1O)C2 ZINC001275418399 952134629 /nfs/dbraw/zinc/13/46/29/952134629.db2.gz CURJUIDJCNINTA-OCCSQVGLSA-N 1 0 319.405 0.692 20 10 DCCDRO O=C(NCc1cccc(O)c1O)C1C[NH+](C2CCOCC2)C1 ZINC001347542808 954114235 /nfs/dbraw/zinc/11/42/35/954114235.db2.gz SDQNYBVWYCADQE-UHFFFAOYSA-N 1 0 306.362 0.825 20 10 DCCDRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC001349689085 954846783 /nfs/dbraw/zinc/84/67/83/954846783.db2.gz GGLSWUOVEFVRQL-GHMZBOCLSA-N 1 0 312.391 0.346 20 10 DCCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001353145867 955945240 /nfs/dbraw/zinc/94/52/40/955945240.db2.gz GJKYZECIFPJPDQ-INIZCTEOSA-N 1 0 320.437 0.418 20 10 DCCDRO CC(C)c1ccc(O)c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC001308581979 960179914 /nfs/dbraw/zinc/17/99/14/960179914.db2.gz LWCATSKWQDBPGP-CQSZACIVSA-N 1 0 317.389 0.658 20 10 DCCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000362240953 530024030 /nfs/dbraw/zinc/02/40/30/530024030.db2.gz XCJCWVZIRYGZOQ-ZDUSSCGKSA-N 1 0 314.407 0.914 20 10 DCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000373231591 530024338 /nfs/dbraw/zinc/02/43/38/530024338.db2.gz SYFZEJWBXSDFED-LBPRGKRZSA-N 1 0 300.380 0.524 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1 ZINC000298360813 132058752 /nfs/dbraw/zinc/05/87/52/132058752.db2.gz FZFKAJKOEBAVRF-OAHLLOKOSA-N 1 0 320.437 0.858 20 10 DCCDRO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2O)C1 ZINC000111235424 395803746 /nfs/dbraw/zinc/80/37/46/395803746.db2.gz VWAWJGFHDLNTHM-HNNXBMFYSA-N 1 0 319.405 0.951 20 10 DCCDRO CCCC[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccccc1O ZINC000282341846 396282898 /nfs/dbraw/zinc/28/28/98/396282898.db2.gz BYYLLXSKVHQHKT-UHFFFAOYSA-N 1 0 319.405 0.953 20 10 DCCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccccc1O ZINC000264430552 396279685 /nfs/dbraw/zinc/27/96/85/396279685.db2.gz UFGBJPJLUROWST-ZDUSSCGKSA-N 1 0 306.410 0.827 20 10 DCCDRO C[C@H](O)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000297947552 415984223 /nfs/dbraw/zinc/98/42/23/415984223.db2.gz ASSSKQRCCQIVHP-KBPBESRZSA-N 1 0 323.437 0.432 20 10 DCCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419703274 337491508 /nfs/dbraw/zinc/49/15/08/337491508.db2.gz DCGROEYCIFGTSV-LBPRGKRZSA-N 1 0 314.389 0.581 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2COC(=O)N2)[NH+](C)C)cc1 ZINC000891246473 658077539 /nfs/dbraw/zinc/07/75/39/658077539.db2.gz OEPOXQJQAXNRML-UONOGXRCSA-N 1 0 320.393 0.580 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCNC2=O)[NH+](C)C)cc1 ZINC000891247735 658079807 /nfs/dbraw/zinc/07/98/07/658079807.db2.gz JYENGQKCHVIOPB-HUUCEWRRSA-N 1 0 318.421 0.608 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CC(=O)N2CCN(C)CC2)c1O ZINC000894207192 661658393 /nfs/dbraw/zinc/65/83/93/661658393.db2.gz SHJSORSKOLDOLT-UHFFFAOYSA-N 1 0 307.394 0.573 20 10 DCCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000842094665 661658680 /nfs/dbraw/zinc/65/86/80/661658680.db2.gz ZPNQRVKPOXVAMO-VIFPVBQESA-N 1 0 316.452 0.547 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000894594087 661987922 /nfs/dbraw/zinc/98/79/22/661987922.db2.gz DFZTUCQWAAVCJH-INIZCTEOSA-N 1 0 319.361 0.883 20 10 DCCDRO COc1cccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1O ZINC000901128565 663322089 /nfs/dbraw/zinc/32/20/89/663322089.db2.gz XZYCOIZDWMLQRV-INIZCTEOSA-N 1 0 308.378 0.864 20 10 DCCDRO COc1ccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1C ZINC000903968814 663499595 /nfs/dbraw/zinc/49/95/95/663499595.db2.gz OPOAPCPZOVIFCL-AWEZNQCLSA-N 1 0 312.435 0.870 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000907272744 663679945 /nfs/dbraw/zinc/67/99/45/663679945.db2.gz ITZPQIDKGMFGNA-SMDDNHRTSA-N 1 0 320.389 0.866 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CC2)cc1F ZINC000911111468 663983400 /nfs/dbraw/zinc/98/34/00/663983400.db2.gz IBRUQMYGMQKNLZ-UHFFFAOYSA-N 1 0 308.357 0.115 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)CCNC(=O)C2)cc1 ZINC000911665143 664096594 /nfs/dbraw/zinc/09/65/94/664096594.db2.gz AHRVVZUUKHYQSX-YOEHRIQHSA-N 1 0 318.421 0.785 20 10 DCCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033697194 666796241 /nfs/dbraw/zinc/79/62/41/666796241.db2.gz BJLUMRUHSVEATK-CYBMUJFWSA-N 1 0 319.365 0.988 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861749745 666971642 /nfs/dbraw/zinc/97/16/42/666971642.db2.gz IPNKMSWANBMYFP-UHFFFAOYSA-N 1 0 310.373 0.315 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000866459564 667376656 /nfs/dbraw/zinc/37/66/56/667376656.db2.gz ZGBLQZAAMLIZAT-JTQLQIEISA-N 1 0 302.396 0.991 20 10 DCCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c(O)c1 ZINC000866554443 667381163 /nfs/dbraw/zinc/38/11/63/667381163.db2.gz RDYGPZRAIDHWFG-GUYCJALGSA-N 1 0 320.389 0.979 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)cc1C ZINC001036158164 667428786 /nfs/dbraw/zinc/42/87/86/667428786.db2.gz AISPKHJRVQQDKL-GXTWGEPZSA-N 1 0 319.405 0.816 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000923618161 667726997 /nfs/dbraw/zinc/72/69/97/667726997.db2.gz XNRUSSJNEOJMDH-SNVBAGLBSA-N 1 0 315.395 0.201 20 10 DCCDRO O=C1NCCN1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000886323332 667756280 /nfs/dbraw/zinc/75/62/80/667756280.db2.gz VQHPGCPQAFUYDX-UHFFFAOYSA-N 1 0 318.421 0.763 20 10 DCCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000750543452 667981723 /nfs/dbraw/zinc/98/17/23/667981723.db2.gz ZHXOAHJORHHIHE-CQSZACIVSA-N 1 0 315.421 0.827 20 10 DCCDRO CN1CC[C@](O)(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000762556313 668366305 /nfs/dbraw/zinc/36/63/05/668366305.db2.gz NNMKLORSKZNQBS-KRWDZBQOSA-N 1 0 305.422 0.679 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1 ZINC000927026609 668445376 /nfs/dbraw/zinc/44/53/76/668445376.db2.gz QRGOSVVOCIFJLR-UWVGGRQHSA-N 1 0 303.380 0.457 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H](N)C[NH+](C)C)CC2)cc1 ZINC000876708461 668492451 /nfs/dbraw/zinc/49/24/51/668492451.db2.gz QOQNAPNTZPESLH-HNNXBMFYSA-N 1 0 306.410 0.233 20 10 DCCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000876726579 668496855 /nfs/dbraw/zinc/49/68/55/668496855.db2.gz KPVLNZTUKPMCOU-CABCVRRESA-N 1 0 305.378 0.256 20 10 DCCDRO C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)C[NH2+]CCO1 ZINC000876726313 668496975 /nfs/dbraw/zinc/49/69/75/668496975.db2.gz DADHDYFZANHBOW-KRWDZBQOSA-N 1 0 319.405 0.518 20 10 DCCDRO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876816915 668515832 /nfs/dbraw/zinc/51/58/32/668515832.db2.gz TXYQPPNVQDSGRO-AWEZNQCLSA-N 1 0 318.421 0.890 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)cc1 ZINC000876960007 668543047 /nfs/dbraw/zinc/54/30/47/668543047.db2.gz RLTIWMMXFVFBBY-TUKIKUTGSA-N 1 0 305.378 0.506 20 10 DCCDRO O[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877657650 668636711 /nfs/dbraw/zinc/63/67/11/668636711.db2.gz GMNGAVZOMYVFIJ-GOSISDBHSA-N 1 0 319.449 0.804 20 10 DCCDRO C[C@]12C[N@H+](Cc3cc4c(cc3O)OCO4)C[C@@]1(C)C(=O)NC2=O ZINC000877668446 668637539 /nfs/dbraw/zinc/63/75/39/668637539.db2.gz IPZHMUFCVOLVEN-IYBDPMFKSA-N 1 0 318.329 0.606 20 10 DCCDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000770332475 668688489 /nfs/dbraw/zinc/68/84/89/668688489.db2.gz ZWJLDLGOWWMURX-HNNXBMFYSA-N 1 0 323.345 0.867 20 10 DCCDRO C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCOCC2)cc1 ZINC000772465377 668773853 /nfs/dbraw/zinc/77/38/53/668773853.db2.gz FZLAYCZEHBQYHF-CYBMUJFWSA-N 1 0 316.409 0.940 20 10 DCCDRO CNC(=O)CC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463734 669038421 /nfs/dbraw/zinc/03/84/21/669038421.db2.gz NSMSJBKJQBJCSG-UHFFFAOYSA-N 1 0 307.394 0.962 20 10 DCCDRO COc1c(O)c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000848926341 670741121 /nfs/dbraw/zinc/74/11/21/670741121.db2.gz PJAWIQZDZGTJJI-NWDGAFQWSA-N 1 0 323.349 0.560 20 10 DCCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000817945403 670955525 /nfs/dbraw/zinc/95/55/25/670955525.db2.gz BGSCEUXUMPDOQY-NSHDSACASA-N 1 0 321.377 0.261 20 10 DCCDRO C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817945567 670955976 /nfs/dbraw/zinc/95/59/76/670955976.db2.gz GLXGNMSTKJLWGJ-JTQLQIEISA-N 1 0 308.338 0.383 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc1F ZINC000851685637 671013569 /nfs/dbraw/zinc/01/35/69/671013569.db2.gz UWKAQRANMVSEOB-UHFFFAOYSA-N 1 0 310.373 0.315 20 10 DCCDRO COC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831753384 671683766 /nfs/dbraw/zinc/68/37/66/671683766.db2.gz NKNYTCPTGFWTBA-WFASDCNBSA-N 1 0 307.394 0.611 20 10 DCCDRO [NH3+]C/C=C\CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711845 671951597 /nfs/dbraw/zinc/95/15/97/671951597.db2.gz IMHIBJBAKDXLPB-UPHRSURJSA-N 1 0 322.384 0.976 20 10 DCCDRO CC(C)(O)C[NH+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960452 671969319 /nfs/dbraw/zinc/96/93/19/671969319.db2.gz QVWDLLMMHPKNGE-UHFFFAOYSA-N 1 0 320.437 0.909 20 10 DCCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170142 671988563 /nfs/dbraw/zinc/98/85/63/671988563.db2.gz CNFJNPJFNXPHPX-ZDUSSCGKSA-N 1 0 316.405 0.390 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000842230697 671997648 /nfs/dbraw/zinc/99/76/48/671997648.db2.gz YCRBMXFZUWTLGM-LBPRGKRZSA-N 1 0 306.410 0.565 20 10 DCCDRO Oc1cc2c(cc1CN1CCN([C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000843125160 672064979 /nfs/dbraw/zinc/06/49/79/672064979.db2.gz YGHIYKNTXOSULE-CYBMUJFWSA-N 1 0 305.378 0.600 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000843258197 672075538 /nfs/dbraw/zinc/07/55/38/672075538.db2.gz AFPZKOCNUYNIJF-CHWSQXEVSA-N 1 0 320.437 0.919 20 10 DCCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000843258447 672075558 /nfs/dbraw/zinc/07/55/58/672075558.db2.gz APAVCGDDDBMEFN-NEPJUHHUSA-N 1 0 306.410 0.611 20 10 DCCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000843260575 672076175 /nfs/dbraw/zinc/07/61/75/672076175.db2.gz FTTPVJLJRPSQQT-CHWSQXEVSA-N 1 0 320.437 0.953 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CCOCC2)cc1 ZINC000843299509 672080371 /nfs/dbraw/zinc/08/03/71/672080371.db2.gz XAIQNPSCYXHXDS-HNNXBMFYSA-N 1 0 306.410 0.201 20 10 DCCDRO COC(=O)C1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000843299753 672080384 /nfs/dbraw/zinc/08/03/84/672080384.db2.gz ZKAYXXHCLWBVKH-CYBMUJFWSA-N 1 0 305.378 0.822 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC(=O)N(C)C2)cc1 ZINC000843299080 672080503 /nfs/dbraw/zinc/08/05/03/672080503.db2.gz QZDYQTKKRITYLN-JSGCOSHPSA-N 1 0 304.394 0.347 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000844217388 672164226 /nfs/dbraw/zinc/16/42/26/672164226.db2.gz GRKQJCHXZUHBCA-CQSZACIVSA-N 1 0 318.421 0.377 20 10 DCCDRO Cc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1O ZINC000846357657 672309686 /nfs/dbraw/zinc/30/96/86/672309686.db2.gz SGLHWKSEAXTQJQ-UHFFFAOYSA-N 1 0 321.377 0.252 20 10 DCCDRO COc1cc(O)c(CN2CC[NH+](CCCO)CC2)c(OC)c1 ZINC001141026616 1159065047 /nfs/dbraw/zinc/06/50/47/1159065047.db2.gz XFKBLMVIHMSAMP-UHFFFAOYSA-N 1 0 310.394 0.909 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CNC(C)=O)cc1C ZINC001566994238 1160202634 /nfs/dbraw/zinc/20/26/34/1160202634.db2.gz AAURVEXVRBRUCN-LBPRGKRZSA-N 1 0 307.394 0.734 20 10 DCCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H]1C[NH2+]CCO1 ZINC001577951314 1164858364 /nfs/dbraw/zinc/85/83/64/1164858364.db2.gz KEFIHIAOAQJERJ-CQSZACIVSA-N 1 0 308.378 0.746 20 10 DCCDRO C[NH2+]C[C@@H](O)CN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001578652360 1165080943 /nfs/dbraw/zinc/08/09/43/1165080943.db2.gz IQOMYULKMKGUBZ-HOSRBBHYSA-N 1 0 323.349 0.798 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NCCCC[NH+]1CCOCC1 ZINC001596159408 1167988088 /nfs/dbraw/zinc/98/80/88/1167988088.db2.gz DUWOJUSWADBGRY-UHFFFAOYSA-N 1 0 308.378 0.869 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC001642550014 1171949172 /nfs/dbraw/zinc/94/91/72/1171949172.db2.gz YJBWBVIPIQEPMU-UHFFFAOYSA-N 1 0 320.389 0.964 20 10 DCCDRO O=C1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CN1 ZINC001657536167 1173913149 /nfs/dbraw/zinc/91/31/49/1173913149.db2.gz JMUHVMRKYDKRES-ZDUSSCGKSA-N 1 0 307.369 0.888 20 10 DCCDRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001662465644 1174212639 /nfs/dbraw/zinc/21/26/39/1174212639.db2.gz CUTICWJMVBWONW-MRXNPFEDSA-N 1 0 324.446 0.926 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC(N)=O)cc1C ZINC001714566704 1181419371 /nfs/dbraw/zinc/41/93/71/1181419371.db2.gz UKOUKFBFGGXVOM-GFCCVEGCSA-N 1 0 307.394 0.816 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2COCCO2)cc1C ZINC001123877752 768070018 /nfs/dbraw/zinc/07/00/18/768070018.db2.gz VWRBURKWJIZSHR-HNNXBMFYSA-N 1 0 308.378 0.625 20 10 DCCDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001117985744 766187245 /nfs/dbraw/zinc/18/72/45/766187245.db2.gz VSRLHLUAZFRGGD-ZDUSSCGKSA-N 1 0 307.394 0.984 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)cc1 ZINC001121980460 767687105 /nfs/dbraw/zinc/68/71/05/767687105.db2.gz BQDDYJPYSHBIKK-HNNXBMFYSA-N 1 0 318.421 0.566 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC001140098519 768512195 /nfs/dbraw/zinc/51/21/95/768512195.db2.gz CSXZXYIOXPSPOU-PRHODGIISA-N 1 0 302.168 0.940 20 10 DCCDRO CCNC(=O)COC1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016221 769343938 /nfs/dbraw/zinc/34/39/38/769343938.db2.gz PICONYHRNRTHOK-UHFFFAOYSA-N 1 0 324.377 0.921 20 10 DCCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)cc1O ZINC001173738614 769706181 /nfs/dbraw/zinc/70/61/81/769706181.db2.gz SXJVCGXERVMLHJ-YWPYICTPSA-N 1 0 319.365 0.891 20 10 DCCDRO [O-]c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc(F)c1F ZINC001235871231 769956364 /nfs/dbraw/zinc/95/63/64/769956364.db2.gz SMKZNLFDHPAYLJ-UHFFFAOYSA-N 1 0 314.380 0.255 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(OC)cc(OC)c2O)C[C@H]1[NH3+] ZINC001236351476 770004392 /nfs/dbraw/zinc/00/43/92/770004392.db2.gz LQUQQTPMCTVGNR-VXGBXAGGSA-N 1 0 310.350 0.342 20 10 DCCDRO COc1cc(C)c(C[NH+]2CCN(CC(=O)N(C)C)CC2)c(O)c1 ZINC001236812302 770019668 /nfs/dbraw/zinc/01/96/68/770019668.db2.gz BWSJUZPIIYMUJU-UHFFFAOYSA-N 1 0 321.421 0.915 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCCNC(=O)C3)c(F)c2)CC1 ZINC001236931758 770024524 /nfs/dbraw/zinc/02/45/24/770024524.db2.gz LJOHSWLOBDIYAR-UHFFFAOYSA-N 1 0 320.412 0.899 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)CNC(N)=O)cc1C ZINC001154463581 770188284 /nfs/dbraw/zinc/18/82/84/770188284.db2.gz BPOVDWWGRZLJBF-UHFFFAOYSA-N 1 0 308.382 0.268 20 10 DCCDRO C[C@@H](O)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238197 770386047 /nfs/dbraw/zinc/38/60/47/770386047.db2.gz UBWXDOQYFMMCGN-SNVBAGLBSA-N 1 0 307.354 0.939 20 10 DCCDRO COCCN1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2C1=O ZINC001204274340 772943597 /nfs/dbraw/zinc/94/35/97/772943597.db2.gz OEFBDNNSKSLFKT-JSGCOSHPSA-N 1 0 306.362 0.634 20 10 DCCDRO O=C(CNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)c1ccc(O)c(O)c1 ZINC001220489895 774823834 /nfs/dbraw/zinc/82/38/34/774823834.db2.gz LBMJJDQLONTVOS-NZVBXONLSA-N 1 0 320.345 0.164 20 10 DCCDRO [NH3+][C@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)C1CCC(O)CC1 ZINC001220489553 774824645 /nfs/dbraw/zinc/82/46/45/774824645.db2.gz AMNHTOKAIJHHLE-ZPCPWSMKSA-N 1 0 322.361 0.275 20 10 DCCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)Cc1ccc(O)c(O)c1 ZINC001272971742 945162371 /nfs/dbraw/zinc/16/23/71/945162371.db2.gz MDADKTQIHQMDHK-HUBLWGQQSA-N 1 0 306.362 0.306 20 10 DCCDRO O=S1(=O)CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001256374829 944094003 /nfs/dbraw/zinc/09/40/03/944094003.db2.gz OCORJIXHJIOGFU-CYBMUJFWSA-N 1 0 301.364 0.298 20 10 DCCDRO O=C1N(C2COC2)CC[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001272902663 944310620 /nfs/dbraw/zinc/31/06/20/944310620.db2.gz GDWUKPYEYAFVMZ-KRWDZBQOSA-N 1 0 318.373 0.921 20 10 DCCDRO O=C(NCC1COC1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001277657328 944930771 /nfs/dbraw/zinc/93/07/71/944930771.db2.gz PDJAUPDZDBDXKK-CXAGYDPISA-N 1 0 318.373 0.682 20 10 DCCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H](O)CO)CC2)cc1 ZINC001252068680 945864774 /nfs/dbraw/zinc/86/47/74/945864774.db2.gz QOUIUGXDYKRWGX-INIZCTEOSA-N 1 0 323.437 0.150 20 10 DCCDRO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253702358 946166191 /nfs/dbraw/zinc/16/61/91/946166191.db2.gz VXIFYUUMFSPRAK-ZDUSSCGKSA-N 1 0 313.350 0.638 20 10 DCCDRO COC[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321530486 946367324 /nfs/dbraw/zinc/36/73/24/946367324.db2.gz STLIQMBKONHZTK-AWEZNQCLSA-N 1 0 311.401 0.674 20 10 DCCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001262061462 947546308 /nfs/dbraw/zinc/54/63/08/947546308.db2.gz AIFCPUAUXZITOW-YPMHNXCESA-N 1 0 304.394 0.317 20 10 DCCDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001325429291 947792250 /nfs/dbraw/zinc/79/22/50/947792250.db2.gz YSMFDWGJRWIRRZ-CYBMUJFWSA-N 1 0 320.437 0.683 20 10 DCCDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001325735437 947903047 /nfs/dbraw/zinc/90/30/47/947903047.db2.gz FGTSUTYQGOXKSF-NWDGAFQWSA-N 1 0 305.378 0.559 20 10 DCCDRO CN1C[C@@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)OCC1=O ZINC001273672046 948016391 /nfs/dbraw/zinc/01/63/91/948016391.db2.gz WYRSWIMOXNCICM-OAHLLOKOSA-N 1 0 308.334 0.237 20 10 DCCDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001327545745 948546025 /nfs/dbraw/zinc/54/60/25/948546025.db2.gz PSZOZWFQVOOPIO-CYBMUJFWSA-N 1 0 307.394 0.840 20 10 DCCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC001328401531 948878556 /nfs/dbraw/zinc/87/85/56/948878556.db2.gz ZRRDQLLPZJZJNR-LLVKDONJSA-N 1 0 308.334 0.458 20 10 DCCDRO COC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265754714 949919718 /nfs/dbraw/zinc/91/97/18/949919718.db2.gz KGTVOGNERUBECN-LBPRGKRZSA-N 1 0 323.393 0.954 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+][C@@H](C)CCNC(C)=O)cc1 ZINC001266122462 950390649 /nfs/dbraw/zinc/39/06/49/950390649.db2.gz QYFOVLYGCIPECL-NSHDSACASA-N 1 0 318.381 0.675 20 10 DCCDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001332127052 951490325 /nfs/dbraw/zinc/49/03/25/951490325.db2.gz FNMYWTFCVMXKKP-PXAZEXFGSA-N 1 0 315.373 0.574 20 10 DCCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332128651 951493003 /nfs/dbraw/zinc/49/30/03/951493003.db2.gz RWLRTURNZYSZQP-NEPJUHHUSA-N 1 0 317.389 0.820 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001336293013 952672687 /nfs/dbraw/zinc/67/26/87/952672687.db2.gz BIIJFWYXISNJTG-QGZVFWFLSA-N 1 0 317.389 0.705 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1CC[NH3+] ZINC001339208030 953081000 /nfs/dbraw/zinc/08/10/00/953081000.db2.gz WODFAWDCRRRXMW-CHWSQXEVSA-N 1 0 319.405 0.794 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)cc1 ZINC001342159260 953273033 /nfs/dbraw/zinc/27/30/33/953273033.db2.gz KADKJDNIAGRHDP-PBHICJAKSA-N 1 0 321.421 0.703 20 10 DCCDRO CC[NH+]1CCN(CCC(=O)NCc2cccc(O)c2O)CC1 ZINC001347543123 954117395 /nfs/dbraw/zinc/11/73/95/954117395.db2.gz WWAWJAWSIAEFFH-UHFFFAOYSA-N 1 0 307.394 0.742 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC001353146184 955945609 /nfs/dbraw/zinc/94/56/09/955945609.db2.gz JZLGHUIXNVLUJJ-UHFFFAOYSA-N 1 0 302.422 0.936 20 10 DCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001357362036 957255488 /nfs/dbraw/zinc/25/54/88/957255488.db2.gz MUKFKSGRMRROCC-BBRMVZONSA-N 1 0 321.421 0.356 20 10 DCCDRO C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(C(=O)[O-])ccc1O ZINC001593231261 994372828 /nfs/dbraw/zinc/37/28/28/994372828.db2.gz OGOVGNIMIJZZQU-SNVBAGLBSA-N 1 0 307.350 0.173 20 10 DCCDRO CN(C)CC[N@H+](C)CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001556897738 1012240228 /nfs/dbraw/zinc/24/02/28/1012240228.db2.gz RBVBBSFMWPVRLV-UHFFFAOYSA-N 1 0 309.410 0.640 20 10 DCCDRO CC1CCN(c2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)CC1 ZINC000274440258 130235704 /nfs/dbraw/zinc/23/57/04/130235704.db2.gz QAVDTIFDRMGXJD-UHFFFAOYSA-N 1 0 318.421 0.614 20 10 DCCDRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2O)C1 ZINC000111235422 395803206 /nfs/dbraw/zinc/80/32/06/395803206.db2.gz VWAWJGFHDLNTHM-OAHLLOKOSA-N 1 0 319.405 0.951 20 10 DCCDRO COc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1C ZINC000298083741 334246384 /nfs/dbraw/zinc/24/63/84/334246384.db2.gz MEGRGYJXAOOFCY-UHFFFAOYSA-N 1 0 301.412 0.489 20 10 DCCDRO COc1ccc(CNC[C@H](O)C[NH+]2CCCC2)c(O)c1OC ZINC000892670180 659136286 /nfs/dbraw/zinc/13/62/86/659136286.db2.gz POERNTRKYFNPAM-ZDUSSCGKSA-N 1 0 310.394 0.956 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1 ZINC000182344446 665788415 /nfs/dbraw/zinc/78/84/15/665788415.db2.gz RCDCPPUFLYQAFQ-GFCCVEGCSA-N 1 0 307.394 0.825 20 10 DCCDRO Cc1cccc(O)c1C[NH2+]CCc1nnc2c(=O)n(C)ccn12 ZINC000895788625 662216487 /nfs/dbraw/zinc/21/64/87/662216487.db2.gz BWPQKPFHHBXZTE-UHFFFAOYSA-N 1 0 313.361 0.774 20 10 DCCDRO COc1ccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c(O)c1 ZINC000907926374 663724333 /nfs/dbraw/zinc/72/43/33/663724333.db2.gz OGWKEDYSFHAVFQ-INIZCTEOSA-N 1 0 308.378 0.864 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000911373331 664044851 /nfs/dbraw/zinc/04/48/51/664044851.db2.gz DJVJPPOCFOJXJA-IUODEOHRSA-N 1 0 318.421 0.435 20 10 DCCDRO Cc1nnc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[nH]1 ZINC000911666522 664096712 /nfs/dbraw/zinc/09/67/12/664096712.db2.gz IMOUYFZBMZVLAM-ZDUSSCGKSA-N 1 0 302.382 0.538 20 10 DCCDRO C[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918852062 665186643 /nfs/dbraw/zinc/18/66/43/665186643.db2.gz GTLRTYZTRGGQDY-ZDUSSCGKSA-N 1 0 318.421 0.566 20 10 DCCDRO O=C1CN(CCC[NH2+]Cc2ccc3c(c2)CCCO3)CCN1 ZINC000922213284 666336305 /nfs/dbraw/zinc/33/63/05/666336305.db2.gz BBYOJKGSWWLOTC-UHFFFAOYSA-N 1 0 303.406 0.923 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(CO)COCCN2C)c1 ZINC000922536297 666477753 /nfs/dbraw/zinc/47/77/53/666477753.db2.gz UCSCVECQHBSDFU-INIZCTEOSA-N 1 0 310.394 0.574 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863752371 667175318 /nfs/dbraw/zinc/17/53/18/667175318.db2.gz DIEPIMNVYWBNTR-LBPRGKRZSA-N 1 0 307.394 0.936 20 10 DCCDRO Oc1cc2c(cc1C[NH2+]C1CN(c3ccncn3)C1)OCO2 ZINC000865749925 667344161 /nfs/dbraw/zinc/34/41/61/667344161.db2.gz ZLZJDLFVZZBRNJ-UHFFFAOYSA-N 1 0 300.318 0.889 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCC(C)(C)[NH3+])cc1F ZINC000884520044 667559776 /nfs/dbraw/zinc/55/97/76/667559776.db2.gz KXIPDNHCISTAAD-UHFFFAOYSA-N 1 0 324.400 0.752 20 10 DCCDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000872255099 667882729 /nfs/dbraw/zinc/88/27/29/667882729.db2.gz JPHXFWVUYPQOCT-BNOWGMLFSA-N 1 0 321.352 0.898 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCC3)CC2)cc1 ZINC000754043173 668040211 /nfs/dbraw/zinc/04/02/11/668040211.db2.gz ILPZRSMDXXPDOA-INIZCTEOSA-N 1 0 305.422 0.884 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC(F)C3)CC2)cc1 ZINC000759051203 668204950 /nfs/dbraw/zinc/20/49/50/668204950.db2.gz WZGROBHFIQHRFW-MRXNPFEDSA-N 1 0 323.412 0.832 20 10 DCCDRO C[NH2+]CCC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877228417 668578880 /nfs/dbraw/zinc/57/88/80/668578880.db2.gz ZMFINQZIDDSOEP-UHFFFAOYSA-N 1 0 307.394 0.962 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)[C@H](O)C1)cc2=O ZINC000768766977 668620191 /nfs/dbraw/zinc/62/01/91/668620191.db2.gz LKUYIRAELSVCQI-JOYOIKCWSA-N 1 0 320.349 0.424 20 10 DCCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769426504 668647447 /nfs/dbraw/zinc/64/74/47/668647447.db2.gz DSOSINRQVCDWTQ-NSHDSACASA-N 1 0 314.407 0.914 20 10 DCCDRO COc1cc(O)c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000848925737 670741106 /nfs/dbraw/zinc/74/11/06/670741106.db2.gz FNPJKJRADRVTMA-QWHCGFSZSA-N 1 0 308.378 0.660 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=[NH2+])N(C)C)CC2)cc1 ZINC000848999265 670748131 /nfs/dbraw/zinc/74/81/31/670748131.db2.gz MEPNAHKHCVMUEN-UHFFFAOYSA-N 1 0 305.426 0.903 20 10 DCCDRO O=C(c1c(F)ccc(O)c1O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000857334646 670910930 /nfs/dbraw/zinc/91/09/30/670910930.db2.gz HRQTXHUFHSVYTQ-NSHDSACASA-N 1 0 324.352 0.908 20 10 DCCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817918405 670952996 /nfs/dbraw/zinc/95/29/96/670952996.db2.gz JALGZJKPJSSVOB-CQSZACIVSA-N 1 0 318.421 0.531 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000852900762 671190725 /nfs/dbraw/zinc/19/07/25/671190725.db2.gz RJNFXEWOZJUIJG-DANNLKNASA-N 1 0 301.390 0.856 20 10 DCCDRO CN(C)c1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000825974016 671476420 /nfs/dbraw/zinc/47/64/20/671476420.db2.gz ZPWXYTLXMYLKPD-UHFFFAOYSA-N 1 0 302.382 0.623 20 10 DCCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469171 671528816 /nfs/dbraw/zinc/52/88/16/671528816.db2.gz ORHIDXZAZQESSX-AWEZNQCLSA-N 1 0 318.421 0.614 20 10 DCCDRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666813 671558052 /nfs/dbraw/zinc/55/80/52/671558052.db2.gz IXKDCSRKDHOPLJ-SKDRFNHKSA-N 1 0 310.350 0.859 20 10 DCCDRO C[NH2+]CCC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000829505357 671578246 /nfs/dbraw/zinc/57/82/46/671578246.db2.gz LRGYJOHHURIUEM-UHFFFAOYSA-N 1 0 320.437 0.543 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCCC(N)=O)cc1 ZINC000832285709 671713607 /nfs/dbraw/zinc/71/36/07/671713607.db2.gz SOMDXHMQVCMDSY-AWEZNQCLSA-N 1 0 306.410 0.914 20 10 DCCDRO CCCC(=O)NCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300183 671713832 /nfs/dbraw/zinc/71/38/32/671713832.db2.gz NSBZGEWMTHGACX-AWEZNQCLSA-N 1 0 306.410 0.785 20 10 DCCDRO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000832450303 671720110 /nfs/dbraw/zinc/72/01/10/671720110.db2.gz FYJTYZJJJIOUNB-HZPDHXFCSA-N 1 0 321.421 0.762 20 10 DCCDRO Cc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(O)c1O ZINC000834565334 671771497 /nfs/dbraw/zinc/77/14/97/671771497.db2.gz SZKLDWPDXVIHHD-INIZCTEOSA-N 1 0 308.378 0.935 20 10 DCCDRO COCCS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784392 671830712 /nfs/dbraw/zinc/83/07/12/671830712.db2.gz IYHGALOGQCUDPG-CYBMUJFWSA-N 1 0 301.412 0.318 20 10 DCCDRO C[C@@H]1COCCN1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841789085 671955113 /nfs/dbraw/zinc/95/51/13/671955113.db2.gz KYWBGLCWMOULHX-CYBMUJFWSA-N 1 0 306.410 0.831 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000841825189 671957565 /nfs/dbraw/zinc/95/75/65/671957565.db2.gz YLDLETWUHDNGFN-HNNXBMFYSA-N 1 0 306.410 0.930 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000842153667 671987040 /nfs/dbraw/zinc/98/70/40/671987040.db2.gz PLCXHMIKDMAUJS-ZDUSSCGKSA-N 1 0 304.394 0.155 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000842154660 671987053 /nfs/dbraw/zinc/98/70/53/671987053.db2.gz VJGPCNSVKSONBV-CQSZACIVSA-N 1 0 318.421 0.545 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170141 671988513 /nfs/dbraw/zinc/98/85/13/671988513.db2.gz CNFJNPJFNXPHPX-CYBMUJFWSA-N 1 0 316.405 0.390 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[NH3+])cc1F ZINC000842208352 671994631 /nfs/dbraw/zinc/99/46/31/671994631.db2.gz CFHJCTUUVBOEEU-UHFFFAOYSA-N 1 0 310.373 0.363 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCC2CC2)cc1 ZINC000843297082 672079832 /nfs/dbraw/zinc/07/98/32/672079832.db2.gz FQMNALHNNOQBKQ-CQSZACIVSA-N 1 0 304.394 0.395 20 10 DCCDRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 ZINC000844220683 672165006 /nfs/dbraw/zinc/16/50/06/672165006.db2.gz JPEYUNZDSPJDPA-CJNGLKHVSA-N 1 0 320.437 0.417 20 10 DCCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O)cc1 ZINC000844400031 672179441 /nfs/dbraw/zinc/17/94/41/672179441.db2.gz STIXBRFXUYZZBX-LLVKDONJSA-N 1 0 308.382 0.647 20 10 DCCDRO O=C(C[NH2+]Cc1ccc(N2CCOCC2)cc1)NCC(F)F ZINC000393699021 685264348 /nfs/dbraw/zinc/26/43/48/685264348.db2.gz HCDAYNMTMQIDGF-UHFFFAOYSA-N 1 0 313.348 0.994 20 10 DCCDRO COc1ccc(N2CC[NH+](CC3(CO)COC3)CC2)cc1F ZINC000089147510 685093374 /nfs/dbraw/zinc/09/33/74/685093374.db2.gz MPDPMCLQOJGCCD-UHFFFAOYSA-N 1 0 310.369 0.965 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN(C)CCn2cnnc2)cc1 ZINC001620550911 1165372651 /nfs/dbraw/zinc/37/26/51/1165372651.db2.gz CCTICBNZBNPRMN-UHFFFAOYSA-N 1 0 316.409 0.592 20 10 DCCDRO Cn1ccnc1N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001635627744 1171708643 /nfs/dbraw/zinc/70/86/43/1171708643.db2.gz GCGYRMXAWPMTLD-UHFFFAOYSA-N 1 0 316.361 0.723 20 10 DCCDRO COc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)c(O)c1OC ZINC001659110630 1173929614 /nfs/dbraw/zinc/92/96/14/1173929614.db2.gz CUWGHXRFZWBNMW-WCQYABFASA-N 1 0 311.378 0.832 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)CC(N)=O)C2CC2)cc1C ZINC001713860424 1181118459 /nfs/dbraw/zinc/11/84/59/1181118459.db2.gz FXGKVHVZEXAVEZ-AWEZNQCLSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001752900368 1188458076 /nfs/dbraw/zinc/45/80/76/1188458076.db2.gz HQXTZJYSZZKBOR-BNOWGMLFSA-N 1 0 319.405 0.719 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)N(C)C2)cc1C ZINC001128673814 754210283 /nfs/dbraw/zinc/21/02/83/754210283.db2.gz PCGKBSHYSNXZOZ-CQSZACIVSA-N 1 0 319.405 0.688 20 10 DCCDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)c1cccc(O)c1O ZINC001148214833 767937404 /nfs/dbraw/zinc/93/74/04/767937404.db2.gz ZHMUEERVJQBTSV-JTQLQIEISA-N 1 0 300.318 0.887 20 10 DCCDRO CCCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CC[NH2+]C1 ZINC001118976149 766492135 /nfs/dbraw/zinc/49/21/35/766492135.db2.gz OYGDQWDSRRISMG-CYBMUJFWSA-N 1 0 317.389 0.835 20 10 DCCDRO C[C@@]1(C(=O)NCCCSc2nccs2)C[C@H](O)C[NH2+]1 ZINC001121874877 767654633 /nfs/dbraw/zinc/65/46/33/767654633.db2.gz DBXIDJCSSBMLFC-CABZTGNLSA-N 1 0 301.437 0.854 20 10 DCCDRO C[C@H]([NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O ZINC001153037727 769700991 /nfs/dbraw/zinc/70/09/91/769700991.db2.gz SEQIJWUSWKQJCA-QMMMGPOBSA-N 1 0 306.326 0.042 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@H]1[NH3+] ZINC001236356769 770007027 /nfs/dbraw/zinc/00/70/27/770007027.db2.gz RQCZYZHSJUAHBH-WDEREUQCSA-N 1 0 314.769 0.986 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)cc1OC ZINC001236758146 770016964 /nfs/dbraw/zinc/01/69/64/770016964.db2.gz WUNGAKIKBBFYGT-CMPLNLGQSA-N 1 0 306.362 0.977 20 10 DCCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCN1C ZINC001236820284 770019831 /nfs/dbraw/zinc/01/98/31/770019831.db2.gz KBMGAKDAGOOTDH-AWEZNQCLSA-N 1 0 308.378 0.998 20 10 DCCDRO O=S(=O)(CC1CC[NH2+]CC1)NCc1ccc(O)c(O)c1 ZINC001238596756 770119702 /nfs/dbraw/zinc/11/97/02/770119702.db2.gz WLTZQUIMUOXMFA-UHFFFAOYSA-N 1 0 300.380 0.517 20 10 DCCDRO O=C(c1cc2cc(O)c(O)cc2oc1=O)N1CC[NH2+]C2(CC2)C1 ZINC001161561873 772245514 /nfs/dbraw/zinc/24/55/14/772245514.db2.gz YBBZCQKTRCXAFX-UHFFFAOYSA-N 1 0 316.313 0.782 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH+]2[C@H](CO)CC[C@H]2CO)cc1 ZINC001195588641 773438419 /nfs/dbraw/zinc/43/84/19/773438419.db2.gz FEJXBDXGMASFJX-HOTGVXAUSA-N 1 0 321.421 0.186 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220212356 774735905 /nfs/dbraw/zinc/73/59/05/774735905.db2.gz GOAYRFALOFPWJC-JQWIXIFHSA-N 1 0 321.764 0.790 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)OC)cc1C ZINC001268298350 940031714 /nfs/dbraw/zinc/03/17/14/940031714.db2.gz JVPOSKHGWIWMDW-GXTWGEPZSA-N 1 0 310.394 0.605 20 10 DCCDRO C[NH+](C)CCN1CCC2(CN(C(=O)c3ccc(O)c(O)c3)C2)C1 ZINC001270037641 940821653 /nfs/dbraw/zinc/82/16/53/940821653.db2.gz NPOSFKDHAQFVJP-UHFFFAOYSA-N 1 0 319.405 0.807 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001276833996 944321193 /nfs/dbraw/zinc/32/11/93/944321193.db2.gz XFKVFIUMBDYWCZ-BETUJISGSA-N 1 0 307.394 0.624 20 10 DCCDRO COc1cccc(C[NH+]2CC3(C2)CCOC[C@@H]3C(N)=O)c1O ZINC001277451532 944823884 /nfs/dbraw/zinc/82/38/84/944823884.db2.gz FNDKGCUMFJOOHR-GFCCVEGCSA-N 1 0 306.362 0.725 20 10 DCCDRO COC(=O)Cc1ccc(C[N@H+](C)CCN2CCOCC2)c(O)c1 ZINC001249172072 945621822 /nfs/dbraw/zinc/62/18/22/945621822.db2.gz IPULFTSXXXRSPE-UHFFFAOYSA-N 1 0 322.405 0.872 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001249178962 945624326 /nfs/dbraw/zinc/62/43/26/945624326.db2.gz WXSXWKHREWVZTQ-UONOGXRCSA-N 1 0 309.362 0.283 20 10 DCCDRO CN(C)S(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001251106530 945739936 /nfs/dbraw/zinc/73/99/36/945739936.db2.gz LJZXXOGYLSGSBQ-UHFFFAOYSA-N 1 0 313.423 0.753 20 10 DCCDRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001262032144 947534278 /nfs/dbraw/zinc/53/42/78/947534278.db2.gz LIWKKYUSWYCPTJ-LBPRGKRZSA-N 1 0 303.362 0.574 20 10 DCCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N)cc1 ZINC001262571427 947728888 /nfs/dbraw/zinc/72/88/88/947728888.db2.gz UMNQFJBAUVFXAW-ZDUSSCGKSA-N 1 0 305.426 0.704 20 10 DCCDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001325429292 947793005 /nfs/dbraw/zinc/79/30/05/947793005.db2.gz YSMFDWGJRWIRRZ-ZDUSSCGKSA-N 1 0 320.437 0.683 20 10 DCCDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001325712397 947891579 /nfs/dbraw/zinc/89/15/79/947891579.db2.gz LUINBULHHXMOES-LLVKDONJSA-N 1 0 324.400 0.480 20 10 DCCDRO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001273671322 948016584 /nfs/dbraw/zinc/01/65/84/948016584.db2.gz BMRXYWYWZIORPY-INIZCTEOSA-N 1 0 322.361 0.484 20 10 DCCDRO CN1CCN(c2ccc(C[NH+](CCO)CCO)cc2F)CC1 ZINC001330107323 950125947 /nfs/dbraw/zinc/12/59/47/950125947.db2.gz AJYADEPGIJGWEP-UHFFFAOYSA-N 1 0 311.401 0.364 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)[NH2+]1 ZINC001332116388 951484198 /nfs/dbraw/zinc/48/41/98/951484198.db2.gz NFMUOYVVLNTUIC-GHMZBOCLSA-N 1 0 303.362 0.443 20 10 DCCDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332128653 951493311 /nfs/dbraw/zinc/49/33/11/951493311.db2.gz RWLRTURNZYSZQP-NWDGAFQWSA-N 1 0 317.389 0.820 20 10 DCCDRO CN(C)c1ccc(CN2CC3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001274744230 951822127 /nfs/dbraw/zinc/82/21/27/951822127.db2.gz GATLVPPVTRUQJL-UHFFFAOYSA-N 1 0 305.378 0.501 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1O ZINC001275266584 952037520 /nfs/dbraw/zinc/03/75/20/952037520.db2.gz BCHJGKXRODEXKG-IYBDPMFKSA-N 1 0 305.422 0.839 20 10 DCCDRO COc1cc(CN2CC3(CCN3CC[NH+](C)C)C2)cc(O)c1O ZINC001275962335 952562357 /nfs/dbraw/zinc/56/23/57/952562357.db2.gz FBQZWYKYOGMSJR-UHFFFAOYSA-N 1 0 321.421 0.928 20 10 DCCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001336151941 952652365 /nfs/dbraw/zinc/65/23/65/952652365.db2.gz VBLXWUNGLWXYNF-UHFFFAOYSA-N 1 0 318.421 0.938 20 10 DCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001340893164 953201824 /nfs/dbraw/zinc/20/18/24/953201824.db2.gz GYMKAQZCHGICHK-FZMZJTMJSA-N 1 0 307.394 0.694 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](O)c2cnn(C)c2)cc1 ZINC001341242997 953218583 /nfs/dbraw/zinc/21/85/83/953218583.db2.gz GIRIEBFVUWVOSZ-LSDHHAIUSA-N 1 0 317.393 0.336 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)cc1 ZINC001343357564 953341179 /nfs/dbraw/zinc/34/11/79/953341179.db2.gz XWRWJDUQLBWDBG-CYBMUJFWSA-N 1 0 316.405 0.189 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C3(C[NH3+])CC(O)C3)ccc21 ZINC001343408241 953344265 /nfs/dbraw/zinc/34/42/65/953344265.db2.gz VRVPOGNIJWZRLK-UHFFFAOYSA-N 1 0 303.406 0.785 20 10 DCCDRO CN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001344640835 953507188 /nfs/dbraw/zinc/50/71/88/953507188.db2.gz BBDYPOKIGMWTNW-UHFFFAOYSA-N 1 0 307.394 0.761 20 10 DCCDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001348714096 954440866 /nfs/dbraw/zinc/44/08/66/954440866.db2.gz HWGWJMNFXVGXIM-UHFFFAOYSA-N 1 0 301.346 0.184 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001292514459 956992605 /nfs/dbraw/zinc/99/26/05/956992605.db2.gz HHRXONQWHFLBAE-ZIAGYGMSSA-N 1 0 320.389 0.698 20 10 DCCDRO Cc1cc(C[N@@H+]2CCN3CCOC[C@]3(CO)C2)ccc1N(C)C ZINC001308111280 960167689 /nfs/dbraw/zinc/16/76/89/960167689.db2.gz VDMPIXMCSNVVTQ-GOSISDBHSA-N 1 0 319.449 0.940 20 10 DCCDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001465203045 1015987846 /nfs/dbraw/zinc/98/78/46/1015987846.db2.gz JWCHQSUAYCJJGF-UHFFFAOYSA-N 1 0 321.421 0.736 20 10 DCCDRO CC(C)(CNS(N)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560993040 1012460600 /nfs/dbraw/zinc/46/06/00/1012460600.db2.gz WSYIBNDDIFQOBA-UHFFFAOYSA-N 1 0 313.423 0.673 20 10 DCCDRO C[C@@H](O)C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001498204081 1018750984 /nfs/dbraw/zinc/75/09/84/1018750984.db2.gz TYNHGCVFXCHUSJ-VHSXEESVSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1ccc(O)c(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000367052811 239140375 /nfs/dbraw/zinc/14/03/75/239140375.db2.gz MKUUZWKMFTWKNZ-CQSZACIVSA-N 1 0 305.378 0.407 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000279481898 396177801 /nfs/dbraw/zinc/17/78/01/396177801.db2.gz UAFFZRKXVFIBLZ-HNNXBMFYSA-N 1 0 305.334 0.575 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)CCCO)CC2)cc1 ZINC000281954085 396251266 /nfs/dbraw/zinc/25/12/66/396251266.db2.gz UPQOUCCWAGBPJX-UHFFFAOYSA-N 1 0 321.421 0.658 20 10 DCCDRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1O ZINC000264620638 396297260 /nfs/dbraw/zinc/29/72/60/396297260.db2.gz QXKQHMAVRFPQOI-JSGCOSHPSA-N 1 0 319.405 0.936 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)C(C)(C)[NH3+])CC2)cc1 ZINC000269315087 396406874 /nfs/dbraw/zinc/40/68/74/396406874.db2.gz YZPHVQKRKOCOPM-UHFFFAOYSA-N 1 0 320.437 0.671 20 10 DCCDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292790275 415849976 /nfs/dbraw/zinc/84/99/76/415849976.db2.gz MIXGHUUBGWCFSQ-GFCCVEGCSA-N 1 0 314.407 0.867 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000237264432 337468517 /nfs/dbraw/zinc/46/85/17/337468517.db2.gz RQTDIPFJILSXAK-INIZCTEOSA-N 1 0 319.405 0.722 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000264742885 522197184 /nfs/dbraw/zinc/19/71/84/522197184.db2.gz PHPCSDKJXLOQTH-INIZCTEOSA-N 1 0 319.453 0.798 20 10 DCCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(OC)c2O)C1 ZINC000266755027 523873051 /nfs/dbraw/zinc/87/30/51/523873051.db2.gz GBIINGVJIXAVSU-ZDUSSCGKSA-N 1 0 323.393 0.921 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)O)cc2F)CC1 ZINC000276409270 529153040 /nfs/dbraw/zinc/15/30/40/529153040.db2.gz UKAGKCJDJUYPSC-GFCCVEGCSA-N 1 0 309.385 0.965 20 10 DCCDRO CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC[N@H+](C)CC1 ZINC000888988562 657522850 /nfs/dbraw/zinc/52/28/50/657522850.db2.gz PKOIOSWCORVEMS-XQRVVYSFSA-N 1 0 319.405 0.817 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnn(C)n2)[NH+](C)C)cc1 ZINC000891246233 658076809 /nfs/dbraw/zinc/07/68/09/658076809.db2.gz AZVZAORVUYLTHL-HNNXBMFYSA-N 1 0 316.409 0.914 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C(N)=O)C2)cc1C ZINC001000052212 665730760 /nfs/dbraw/zinc/73/07/60/665730760.db2.gz KZNQEXASQAFQDK-ZDUSSCGKSA-N 1 0 305.378 0.570 20 10 DCCDRO COc1ccc(CN2CC[N@H+](CCO)[C@H](C)C2)c(O)c1OC ZINC000893717128 661379074 /nfs/dbraw/zinc/37/90/74/661379074.db2.gz NEXKQIGQEXKYOM-GFCCVEGCSA-N 1 0 310.394 0.908 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)cc1C ZINC000986804724 662620836 /nfs/dbraw/zinc/62/08/36/662620836.db2.gz BRKPNHPMRADURI-YPMHNXCESA-N 1 0 305.378 0.568 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000321389130 662656433 /nfs/dbraw/zinc/65/64/33/662656433.db2.gz FZPOAMVGNNOMQW-AWEZNQCLSA-N 1 0 319.405 0.722 20 10 DCCDRO COC(OC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000899212907 663130315 /nfs/dbraw/zinc/13/03/15/663130315.db2.gz ZSFJZXOVHZKQGD-UHFFFAOYSA-N 1 0 307.394 0.674 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907274978 663680035 /nfs/dbraw/zinc/68/00/35/663680035.db2.gz SVPWRAHEFMZJOO-SJKOYZFVSA-N 1 0 322.405 0.992 20 10 DCCDRO Nc1ccc(CCNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000911783054 664108422 /nfs/dbraw/zinc/10/84/22/664108422.db2.gz PHLUEKLHBGVEJP-INIZCTEOSA-N 1 0 302.378 0.826 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000179692449 665394660 /nfs/dbraw/zinc/39/46/60/665394660.db2.gz FKHXXZWKVXUCIG-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)COCCN2C)cc1F ZINC000922535411 666477134 /nfs/dbraw/zinc/47/71/34/666477134.db2.gz HCKZCNLMWIDDNO-MRXNPFEDSA-N 1 0 311.401 0.674 20 10 DCCDRO CCc1cccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1O ZINC000862535953 667047111 /nfs/dbraw/zinc/04/71/11/667047111.db2.gz CEVRVAHEUIXMMF-UHFFFAOYSA-N 1 0 313.423 0.535 20 10 DCCDRO COc1ccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)cc1C ZINC000865800479 667349032 /nfs/dbraw/zinc/34/90/32/667349032.db2.gz JBJGEHNTRVIKLV-QGZVFWFLSA-N 1 0 320.389 0.721 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c(OC)c1 ZINC000866697164 667388031 /nfs/dbraw/zinc/38/80/31/667388031.db2.gz INECXEFQTFKBSI-HNNXBMFYSA-N 1 0 321.421 0.814 20 10 DCCDRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@@H]21 ZINC000868309824 667555499 /nfs/dbraw/zinc/55/54/99/667555499.db2.gz MYLVTDPLIJDABO-FZMZJTMJSA-N 1 0 302.378 0.760 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000868357353 667559784 /nfs/dbraw/zinc/55/97/84/667559784.db2.gz VIUWSAPYIDOAOS-ZFWWWQNUSA-N 1 0 316.405 0.284 20 10 DCCDRO O=S1(=O)CCC(O)(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000741261979 667764753 /nfs/dbraw/zinc/76/47/53/667764753.db2.gz SXDOADDWOLSEIX-UHFFFAOYSA-N 1 0 311.403 0.651 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC/C=C\CO)cc2)CC1 ZINC000889661404 667981808 /nfs/dbraw/zinc/98/18/08/667981808.db2.gz ZPINNXKYTSMDKJ-IHWYPQMZSA-N 1 0 318.421 0.786 20 10 DCCDRO C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000876742632 668499718 /nfs/dbraw/zinc/49/97/18/668499718.db2.gz VFSWEVZXXKFAJL-UHOFOFEASA-N 1 0 319.405 0.817 20 10 DCCDRO COC[C@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)C[NH2+]CCO1 ZINC000876873279 668524884 /nfs/dbraw/zinc/52/48/84/668524884.db2.gz AVFQVSRLJGDBFH-KRWDZBQOSA-N 1 0 321.421 0.716 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)cc1 ZINC000876930840 668538220 /nfs/dbraw/zinc/53/82/20/668538220.db2.gz DMOPJTQGVGYLCT-UHOFOFEASA-N 1 0 319.405 0.754 20 10 DCCDRO OC1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCOC3)cc2)CC1 ZINC000877118105 668563828 /nfs/dbraw/zinc/56/38/28/668563828.db2.gz MSNWJJQLVWDNAY-KRWDZBQOSA-N 1 0 306.406 0.889 20 10 DCCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000877750643 668645666 /nfs/dbraw/zinc/64/56/66/668645666.db2.gz TXZMTDCLWUDKTB-SJORKVTESA-N 1 0 306.406 0.575 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO ZINC000877764929 668646818 /nfs/dbraw/zinc/64/68/18/668646818.db2.gz SPWHQDXPDVLRGG-IYBDPMFKSA-N 1 0 306.406 0.556 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000769427217 668647225 /nfs/dbraw/zinc/64/72/25/668647225.db2.gz IXYADUMLERSWSV-LLVKDONJSA-N 1 0 300.380 0.654 20 10 DCCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000769534530 668651979 /nfs/dbraw/zinc/65/19/79/668651979.db2.gz VPFICMXYAJFCTM-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1cccc(C[N@H+](C)CCN2CCCS2(=O)=O)c1O ZINC000769556656 668652701 /nfs/dbraw/zinc/65/27/01/668652701.db2.gz LJHNPFKNAUXTDF-UHFFFAOYSA-N 1 0 314.407 0.868 20 10 DCCDRO CN1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000775703799 668866826 /nfs/dbraw/zinc/86/68/26/668866826.db2.gz YSSWBLUOUYPWQJ-UHFFFAOYSA-N 1 0 302.422 0.712 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1COC[C@@H]1C)cc2=O ZINC000932488536 669374854 /nfs/dbraw/zinc/37/48/54/669374854.db2.gz NRFKHVHLVZXXIE-CABZTGNLSA-N 1 0 320.349 0.736 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3COC(=O)N3)cc2)CC1 ZINC000881854346 669398859 /nfs/dbraw/zinc/39/88/59/669398859.db2.gz CMCRDHXIPJRLLB-AWEZNQCLSA-N 1 0 318.377 0.163 20 10 DCCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000799157248 670045543 /nfs/dbraw/zinc/04/55/43/670045543.db2.gz QZMNWYFISTXLTC-IUODEOHRSA-N 1 0 317.389 0.979 20 10 DCCDRO O=C1CO[C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]2N1 ZINC000840151822 670431856 /nfs/dbraw/zinc/43/18/56/670431856.db2.gz GSCFTFLEQJCHIM-HOCLYGCPSA-N 1 0 302.374 0.970 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000850360279 670909495 /nfs/dbraw/zinc/90/94/95/670909495.db2.gz CLZSWEXDXNSFIG-TZMCWYRMSA-N 1 0 315.391 0.693 20 10 DCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000817945402 670955648 /nfs/dbraw/zinc/95/56/48/670955648.db2.gz BGSCEUXUMPDOQY-LLVKDONJSA-N 1 0 321.377 0.261 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000851687174 671014412 /nfs/dbraw/zinc/01/44/12/671014412.db2.gz YZHWNKBLRLKYEB-UHFFFAOYSA-N 1 0 320.437 0.956 20 10 DCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968554 671080849 /nfs/dbraw/zinc/08/08/49/671080849.db2.gz UNSPBOWWSQUAQJ-ZBFHGGJFSA-N 1 0 321.421 0.485 20 10 DCCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C(N)=O)CCOCC2)c1O ZINC000852492948 671134117 /nfs/dbraw/zinc/13/41/17/671134117.db2.gz BADFIXIQLAZALO-UHFFFAOYSA-N 1 0 310.325 0.858 20 10 DCCDRO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852795110 671161172 /nfs/dbraw/zinc/16/11/72/671161172.db2.gz VMLPZFFYINKCPP-INIZCTEOSA-N 1 0 321.421 0.892 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[NH2+]CCO1 ZINC000852869092 671180371 /nfs/dbraw/zinc/18/03/71/671180371.db2.gz UNJFMWZBQFPMGI-MRXNPFEDSA-N 1 0 319.405 0.252 20 10 DCCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2)C1 ZINC000827468995 671528820 /nfs/dbraw/zinc/52/88/20/671528820.db2.gz JAMRTSCKJDEVKE-UKRRQHHQSA-N 1 0 316.405 0.366 20 10 DCCDRO COC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831753381 671683956 /nfs/dbraw/zinc/68/39/56/671683956.db2.gz NKNYTCPTGFWTBA-DOMZBBRYSA-N 1 0 307.394 0.611 20 10 DCCDRO COc1ccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000832178632 671707606 /nfs/dbraw/zinc/70/76/06/671707606.db2.gz ULLMGDKZZPWKJN-ZDUSSCGKSA-N 1 0 321.377 0.275 20 10 DCCDRO COC(=O)NCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832271951 671712769 /nfs/dbraw/zinc/71/27/69/671712769.db2.gz AIAWEUGMIGTULT-CYBMUJFWSA-N 1 0 308.382 0.615 20 10 DCCDRO Nc1ccc(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000832659087 671730399 /nfs/dbraw/zinc/73/03/99/671730399.db2.gz KUNIZMDQROZESL-UHFFFAOYSA-N 1 0 314.393 0.757 20 10 DCCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000841892377 671963832 /nfs/dbraw/zinc/96/38/32/671963832.db2.gz HSSAMZNMBNOIMF-CYBMUJFWSA-N 1 0 306.362 0.954 20 10 DCCDRO COC[C@@]1(CNC(=O)NCCc2ccc(N)cc2)CCC[NH2+]1 ZINC000841956059 671969133 /nfs/dbraw/zinc/96/91/33/671969133.db2.gz TVBXFOZISQSSCM-INIZCTEOSA-N 1 0 306.410 0.879 20 10 DCCDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842027546 671977025 /nfs/dbraw/zinc/97/70/25/671977025.db2.gz UFLZIIOTAYWQHK-ZDUSSCGKSA-N 1 0 320.437 0.774 20 10 DCCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842035757 671977512 /nfs/dbraw/zinc/97/75/12/671977512.db2.gz IKRRGXNLVKNDCD-JSGCOSHPSA-N 1 0 318.421 0.565 20 10 DCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149368 671985740 /nfs/dbraw/zinc/98/57/40/671985740.db2.gz XHDRYCTZBWTPSE-SNVBAGLBSA-N 1 0 310.373 0.314 20 10 DCCDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842148015 671985823 /nfs/dbraw/zinc/98/58/23/671985823.db2.gz LGPRWOTXBQDKMD-CYBMUJFWSA-N 1 0 324.400 0.607 20 10 DCCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149978 671986436 /nfs/dbraw/zinc/98/64/36/671986436.db2.gz JIDYRHZONASZIU-LBPRGKRZSA-N 1 0 318.421 0.491 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000842154913 671986773 /nfs/dbraw/zinc/98/67/73/671986773.db2.gz YFXGXDRKMVYPTB-CYBMUJFWSA-N 1 0 318.421 0.484 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842201761 671993622 /nfs/dbraw/zinc/99/36/22/671993622.db2.gz BMOOLRHGHOGKEE-AAEUAGOBSA-N 1 0 304.394 0.408 20 10 DCCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203322 671994023 /nfs/dbraw/zinc/99/40/23/671994023.db2.gz QZIOJEJYVMNPGV-GXTWGEPZSA-N 1 0 318.421 0.750 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842203552 671994078 /nfs/dbraw/zinc/99/40/78/671994078.db2.gz UNWQOBWBXTWMSW-GFCCVEGCSA-N 1 0 304.394 0.362 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)[NH3+])cc1F ZINC000842209069 671994561 /nfs/dbraw/zinc/99/45/61/671994561.db2.gz HJSYUKRXMIQTGP-NSHDSACASA-N 1 0 324.400 0.752 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CC[NH2+]C)cc1 ZINC000842206171 671994671 /nfs/dbraw/zinc/99/46/71/671994671.db2.gz BMLIBDNWAXEFDJ-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO COCCCS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784743 672036665 /nfs/dbraw/zinc/03/66/65/672036665.db2.gz LNGTVVMRLJGCEM-AWEZNQCLSA-N 1 0 315.439 0.708 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000843071078 672058979 /nfs/dbraw/zinc/05/89/79/672058979.db2.gz YENDJAKSXGFYJX-AWEZNQCLSA-N 1 0 309.385 0.822 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(OC)c(OC)cc1O ZINC000843124369 672064854 /nfs/dbraw/zinc/06/48/54/672064854.db2.gz ZGXNCDXHCQTNIV-LBPRGKRZSA-N 1 0 324.377 0.746 20 10 DCCDRO Oc1cc2c(cc1CN1CCN([C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000843125161 672064912 /nfs/dbraw/zinc/06/49/12/672064912.db2.gz YGHIYKNTXOSULE-ZDUSSCGKSA-N 1 0 305.378 0.600 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000844217387 672164239 /nfs/dbraw/zinc/16/42/39/672164239.db2.gz GRKQJCHXZUHBCA-AWEZNQCLSA-N 1 0 318.421 0.377 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H](C[NH3+])OC)cc1 ZINC000846695782 672338043 /nfs/dbraw/zinc/33/80/43/672338043.db2.gz AOZHRRYJYUEFFN-OAHLLOKOSA-N 1 0 309.410 0.954 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)c1 ZINC001203678915 1159090565 /nfs/dbraw/zinc/09/05/65/1159090565.db2.gz VHMIUEJRUIUEPD-UHFFFAOYSA-N 1 0 307.394 0.782 20 10 DCCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001543079236 1159816895 /nfs/dbraw/zinc/81/68/95/1159816895.db2.gz LBWMMQGPBZSNGI-GFCCVEGCSA-N 1 0 307.394 0.392 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O ZINC001593873723 1167963161 /nfs/dbraw/zinc/96/31/61/1167963161.db2.gz YLRJGQYDFSDMMV-GFCCVEGCSA-N 1 0 321.377 0.124 20 10 DCCDRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001664739418 1174454235 /nfs/dbraw/zinc/45/42/35/1174454235.db2.gz DYMPVPGMSIAXHJ-GFCCVEGCSA-N 1 0 305.783 0.685 20 10 DCCDRO CC(C)[NH2+][C@@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001700808482 1178757738 /nfs/dbraw/zinc/75/77/38/1178757738.db2.gz PZQMZDIJXSZBQU-GFCCVEGCSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCO2)cc1C ZINC001715576324 1181864667 /nfs/dbraw/zinc/86/46/67/1181864667.db2.gz PZNHLVXEHVZGPK-ZBFHGGJFSA-N 1 0 322.405 0.749 20 10 DCCDRO CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994091 759555198 /nfs/dbraw/zinc/55/51/98/759555198.db2.gz BMVJJHDKPDYEHF-ZDUSSCGKSA-N 1 0 319.365 0.988 20 10 DCCDRO CCOC(=O)CC1([NH3+])CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001148225900 767941548 /nfs/dbraw/zinc/94/15/48/767941548.db2.gz WGPRYBWWIFQPIY-UHFFFAOYSA-N 1 0 322.361 0.985 20 10 DCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691441896 761052183 /nfs/dbraw/zinc/05/21/83/761052183.db2.gz YFWOELXINBLTGD-UHFFFAOYSA-N 1 0 323.212 0.794 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCNC2=O)cc1C ZINC001129958119 763059587 /nfs/dbraw/zinc/05/95/87/763059587.db2.gz YGVHASMFYBYHPT-AWEZNQCLSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC(=O)N2)cc1C ZINC001135219654 765839350 /nfs/dbraw/zinc/83/93/50/765839350.db2.gz RYEPPHNVMAZFLT-AWEZNQCLSA-N 1 0 319.405 0.878 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1cc2c(cc1NC(C)=O)OCO2 ZINC001170993857 766378080 /nfs/dbraw/zinc/37/80/80/766378080.db2.gz CCOCSULJIMEBFB-UHFFFAOYSA-N 1 0 323.349 0.702 20 10 DCCDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001119420353 766670971 /nfs/dbraw/zinc/67/09/71/766670971.db2.gz GJFIUSWVRBIKDH-VXGBXAGGSA-N 1 0 303.362 0.621 20 10 DCCDRO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144514753 766964994 /nfs/dbraw/zinc/96/49/94/766964994.db2.gz QZIWWFBGKJIQHV-UHFFFAOYSA-N 1 0 305.290 0.563 20 10 DCCDRO COc1cc(CN2CC(=O)NC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139258646 768464650 /nfs/dbraw/zinc/46/46/50/768464650.db2.gz VKUBQHKNARSCGI-LLVKDONJSA-N 1 0 307.394 0.783 20 10 DCCDRO COc1cc(CN2CCN(C(=O)N(C)C)CC2)c(O)cc1O ZINC001231633914 769270870 /nfs/dbraw/zinc/27/08/70/769270870.db2.gz DCXABMNPYKATJG-UHFFFAOYSA-N 1 0 309.366 0.906 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(OC)cc(OC)c1O ZINC001236057677 769976391 /nfs/dbraw/zinc/97/63/91/769976391.db2.gz COXDOKZFWCKLBC-LBPRGKRZSA-N 1 0 310.350 0.356 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2OC)C[C@@H]1[NH3+] ZINC001236348953 770003459 /nfs/dbraw/zinc/00/34/59/770003459.db2.gz FFTGOVBUNZGMCT-KGLIPLIRSA-N 1 0 307.394 0.693 20 10 DCCDRO COc1cc(CN2CC[NH+](CCCO)CC2)c(O)c(OC)c1 ZINC001237668337 770072122 /nfs/dbraw/zinc/07/21/22/770072122.db2.gz CHMFXKDGJJZOOU-UHFFFAOYSA-N 1 0 310.394 0.909 20 10 DCCDRO COc1cc(CN2CC(N3CC[NH+](C)CC3)C2)c(O)c(OC)c1 ZINC001237686453 770072987 /nfs/dbraw/zinc/07/29/87/770072987.db2.gz ZRZMWSAYLROBRQ-UHFFFAOYSA-N 1 0 321.421 0.841 20 10 DCCDRO C[C@H](O)C[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238185 770386124 /nfs/dbraw/zinc/38/61/24/770386124.db2.gz UBWXDOQYFMMCGN-JTQLQIEISA-N 1 0 307.354 0.939 20 10 DCCDRO Oc1ccc(C[NH+]2CCN(CCN3CCOCC3)CC2)c(O)c1 ZINC001204275656 771144001 /nfs/dbraw/zinc/14/40/01/771144001.db2.gz XUISLQSKFSYZKJ-UHFFFAOYSA-N 1 0 321.421 0.548 20 10 DCCDRO COC(=O)c1cc(N(CC[NH3+])CCO)ccc1OC(F)F ZINC001163836768 772580013 /nfs/dbraw/zinc/58/00/13/772580013.db2.gz JJSISTNTJFLOJB-UHFFFAOYSA-N 1 0 304.293 0.832 20 10 DCCDRO COc1cc(CN2CC(N3CC[NH+](C)CC3)C2)cc(O)c1O ZINC001204348630 772946142 /nfs/dbraw/zinc/94/61/42/772946142.db2.gz FTJKSWUBLPXCGW-UHFFFAOYSA-N 1 0 307.394 0.538 20 10 DCCDRO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1ccc(O)c(O)c1Cl ZINC001193236522 773030139 /nfs/dbraw/zinc/03/01/39/773030139.db2.gz GOZYBIXHVZIELK-UHFFFAOYSA-N 1 0 308.725 0.883 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])C(=O)c1ccc(O)c(O)c1Cl ZINC001193247416 773031924 /nfs/dbraw/zinc/03/19/24/773031924.db2.gz YCCHHVGAJBXNJI-UHFFFAOYSA-N 1 0 316.741 0.715 20 10 DCCDRO CC1(C[NH3+])CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001206736419 773103168 /nfs/dbraw/zinc/10/31/68/773103168.db2.gz FHNUCDKPTVMAES-UHFFFAOYSA-N 1 0 323.462 0.702 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)CN2C(=O)CSC2=S)C1 ZINC001219642517 774570057 /nfs/dbraw/zinc/57/00/57/774570057.db2.gz UTVPUOSMTFZDBM-DTWKUNHWSA-N 1 0 301.437 0.209 20 10 DCCDRO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490273 774825425 /nfs/dbraw/zinc/82/54/25/774825425.db2.gz ZLEXQLUSEPMCFY-YMTOWFKASA-N 1 0 324.377 0.928 20 10 DCCDRO C[NH+](C)CCN1CCC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001270069531 940828622 /nfs/dbraw/zinc/82/86/22/940828622.db2.gz MUEALLNGJFKNQA-UHFFFAOYSA-N 1 0 321.377 0.265 20 10 DCCDRO C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@@H]21 ZINC001276360190 942101286 /nfs/dbraw/zinc/10/12/86/942101286.db2.gz PZWGJOYSZNBYOI-RDJZCZTQSA-N 1 0 323.412 0.978 20 10 DCCDRO O=C(C1=NO[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]12)N1CC=CC1 ZINC001277445795 944821146 /nfs/dbraw/zinc/82/11/46/944821146.db2.gz IFRFDJYRUZMFFJ-DZGCQCFKSA-N 1 0 313.357 0.977 20 10 DCCDRO COC(=O)Cc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c(O)c1 ZINC001249172444 945620828 /nfs/dbraw/zinc/62/08/28/945620828.db2.gz MSXIZBYBIKFSGA-UHFFFAOYSA-N 1 0 321.377 0.740 20 10 DCCDRO COCCOc1ccc(N2CC[NH+](C[C@H](O)COC)CC2)cc1 ZINC001252819629 946013262 /nfs/dbraw/zinc/01/32/62/946013262.db2.gz YCXMVXXXKQDNKK-INIZCTEOSA-N 1 0 324.421 0.841 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001321989888 946541899 /nfs/dbraw/zinc/54/18/99/946541899.db2.gz DHTIQXJFGIDMCP-YUTCNCBUSA-N 1 0 319.405 0.719 20 10 DCCDRO [NH3+]CCNCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001263096153 947804630 /nfs/dbraw/zinc/80/46/30/947804630.db2.gz IYTJHAJJHZYFSI-UHFFFAOYSA-N 1 0 308.451 0.404 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCN3C)C2)cc1 ZINC001263154496 947813865 /nfs/dbraw/zinc/81/38/65/947813865.db2.gz UWPHCGNSVBCKOS-CJNGLKHVSA-N 1 0 318.421 0.294 20 10 DCCDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001330368416 950317672 /nfs/dbraw/zinc/31/76/72/950317672.db2.gz FWEHJPCYNOJBLE-ZDUSSCGKSA-N 1 0 317.389 0.835 20 10 DCCDRO C[C@H](CNC(=O)C(=O)N1Cc2cccc(O)c2C1)[N@H+](C)C1CC1 ZINC001330587854 950532969 /nfs/dbraw/zinc/53/29/69/950532969.db2.gz LKJQNRCTOYEAGX-LLVKDONJSA-N 1 0 317.389 0.833 20 10 DCCDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001332127058 951489275 /nfs/dbraw/zinc/48/92/75/951489275.db2.gz FNMYWTFCVMXKKP-YVEFUNNKSA-N 1 0 315.373 0.574 20 10 DCCDRO COc1ccc(C[NH+]2CC3(CN(CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001275275112 952043545 /nfs/dbraw/zinc/04/35/45/952043545.db2.gz AZPOKKJZEPAMDC-UHFFFAOYSA-N 1 0 319.405 0.607 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](O)C[NH3+])C2)cc1 ZINC001341991413 953263070 /nfs/dbraw/zinc/26/30/70/953263070.db2.gz XYZKFMYSOZUZEN-JSGCOSHPSA-N 1 0 307.394 0.347 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+][C@]3(C)CCNC3=O)cc2F)CC1 ZINC001343319364 953337096 /nfs/dbraw/zinc/33/70/96/953337096.db2.gz MZUBBVHSNYOVEH-QGZVFWFLSA-N 1 0 320.412 0.946 20 10 DCCDRO C[C@@H](NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)c1ccccc1O ZINC001344459901 953487545 /nfs/dbraw/zinc/48/75/45/953487545.db2.gz AZGAUYAEMDNLRZ-MNOVXSKESA-N 1 0 303.362 0.390 20 10 DCCDRO Nc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC001353493466 956079991 /nfs/dbraw/zinc/07/99/91/956079991.db2.gz YVYMKEWAVMBQKT-LSDHHAIUSA-N 1 0 304.394 0.931 20 10 DCCDRO C[NH+]1CCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001463837580 1013169788 /nfs/dbraw/zinc/16/97/88/1013169788.db2.gz UOQYKDXUTDCTKQ-UHFFFAOYSA-N 1 0 318.381 0.826 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCN(C)C2=O)cc1 ZINC001521145908 1017328972 /nfs/dbraw/zinc/32/89/72/1017328972.db2.gz ZELUVJCILKDYDP-HUUCEWRRSA-N 1 0 318.421 0.737 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)C[NH2+]CCF)cc1 ZINC001497122367 1017897481 /nfs/dbraw/zinc/89/74/81/1017897481.db2.gz RUZKJECFTGHLLL-LLVKDONJSA-N 1 0 311.317 0.499 20 10 DCCDRO CN1C(=O)C(=CNCCC[NH+]2CCCCCC2)C(=O)N(C)C1=O ZINC000060865453 184157415 /nfs/dbraw/zinc/15/74/15/184157415.db2.gz GNGTZEABNZXWAP-UHFFFAOYSA-N 1 0 322.409 0.776 20 10 DCCDRO CNS(=O)(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000271185192 395845017 /nfs/dbraw/zinc/84/50/17/395845017.db2.gz NGUARLCZRITRDQ-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccccc1O ZINC000277012304 396043747 /nfs/dbraw/zinc/04/37/47/396043747.db2.gz CAOIYSQCHUUWFU-NSHDSACASA-N 1 0 301.412 0.875 20 10 DCCDRO CCC[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccccc1O ZINC000263902002 396241097 /nfs/dbraw/zinc/24/10/97/396241097.db2.gz BQPYEHSQAYWXHG-UHFFFAOYSA-N 1 0 305.378 0.563 20 10 DCCDRO COc1cc(O)c(C[NH2+][C@@H](C)C(=O)NCCF)cc1OC ZINC000282844122 396292012 /nfs/dbraw/zinc/29/20/12/396292012.db2.gz VWFRIEZWPZCHFB-VIFPVBQESA-N 1 0 300.330 0.973 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296372169 415924870 /nfs/dbraw/zinc/92/48/70/415924870.db2.gz ITXQVDGHUDYRBW-GFCCVEGCSA-N 1 0 313.423 0.802 20 10 DCCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000574025249 341746295 /nfs/dbraw/zinc/74/62/95/341746295.db2.gz LGYLWWUXSUITCD-UHFFFAOYSA-N 1 0 300.362 0.191 20 10 DCCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000181561647 520042701 /nfs/dbraw/zinc/04/27/01/520042701.db2.gz GQLUIYVLOMAYBU-CYBMUJFWSA-N 1 0 314.407 0.914 20 10 DCCDRO CNC(=O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891570709 657491036 /nfs/dbraw/zinc/49/10/36/657491036.db2.gz DEJRUCDTXXMTFY-CQSZACIVSA-N 1 0 321.425 0.401 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)CCC(N)=O)[NH+](C)C)cc1 ZINC000891245329 658073286 /nfs/dbraw/zinc/07/32/86/658073286.db2.gz CVLABBOGGCTNCT-AWEZNQCLSA-N 1 0 306.410 0.737 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N2)[NH+](C)C)cc1 ZINC000891250206 658087071 /nfs/dbraw/zinc/08/70/71/658087071.db2.gz VHGKTTFALPXXDV-UONOGXRCSA-N 1 0 304.394 0.360 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCN2CCCS2(=O)=O)c1O ZINC000894242670 661711221 /nfs/dbraw/zinc/71/12/21/661711221.db2.gz SQMXUSCGGBFXKA-UHFFFAOYSA-N 1 0 314.407 0.834 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)c(O)c1OC ZINC000894987742 662041462 /nfs/dbraw/zinc/04/14/62/662041462.db2.gz PQNAOJDWMMWENX-NSHDSACASA-N 1 0 319.365 0.891 20 10 DCCDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000320543371 662392181 /nfs/dbraw/zinc/39/21/81/662392181.db2.gz HHLLVJCIFBUJBM-GOSISDBHSA-N 1 0 318.465 0.859 20 10 DCCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000898359308 662948841 /nfs/dbraw/zinc/94/88/41/662948841.db2.gz OVGPAHIQBDXHPX-STQMWFEESA-N 1 0 324.377 0.940 20 10 DCCDRO CCO[C@H](CNC(=O)c1c(F)ccc(O)c1O)C[NH+](C)C ZINC000900693046 663272450 /nfs/dbraw/zinc/27/24/50/663272450.db2.gz XQYMIRVSUVBLBJ-SECBINFHSA-N 1 0 300.330 0.933 20 10 DCCDRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000903969144 663499505 /nfs/dbraw/zinc/49/95/05/663499505.db2.gz VLACMPAKFYAXSB-GFCCVEGCSA-N 1 0 318.826 0.912 20 10 DCCDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000908200381 663742287 /nfs/dbraw/zinc/74/22/87/663742287.db2.gz JJLSXLQNNIYREJ-VIFPVBQESA-N 1 0 310.375 0.965 20 10 DCCDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccc(O)cc2O)n1 ZINC000910943689 663960631 /nfs/dbraw/zinc/96/06/31/663960631.db2.gz FHUMGSQJLDRYFP-UHFFFAOYSA-N 1 0 304.350 0.786 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CC(=O)N3)cc2)CC1 ZINC000918845321 665186117 /nfs/dbraw/zinc/18/61/17/665186117.db2.gz KWDDMBUVLMGYCV-AWEZNQCLSA-N 1 0 316.405 0.333 20 10 DCCDRO CC[N@H+](CCO)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000184589025 666236485 /nfs/dbraw/zinc/23/64/85/666236485.db2.gz GOMIYDKPLVIIDA-UHFFFAOYSA-N 1 0 308.426 0.866 20 10 DCCDRO CCOc1cccc(C[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC000922534475 666476662 /nfs/dbraw/zinc/47/66/62/666476662.db2.gz AHYYUNOSVRCADF-INIZCTEOSA-N 1 0 310.394 0.574 20 10 DCCDRO COc1ccc(CNC(=O)NCC2([NH3+])CCOCC2)c(O)c1 ZINC000861668068 666956222 /nfs/dbraw/zinc/95/62/22/666956222.db2.gz JIRUVFWVIPOJJL-UHFFFAOYSA-N 1 0 309.366 0.708 20 10 DCCDRO C[NH2+]CCOCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000861676933 666957238 /nfs/dbraw/zinc/95/72/38/666957238.db2.gz LXZRXUBCIVYCAS-NSHDSACASA-N 1 0 311.382 0.997 20 10 DCCDRO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(O)c1O ZINC000861716179 666964616 /nfs/dbraw/zinc/96/46/16/666964616.db2.gz SUTNECXVVOGMAT-NEPJUHHUSA-N 1 0 306.362 0.687 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccc(N(C)C)cc1 ZINC000861765910 666975953 /nfs/dbraw/zinc/97/59/53/666975953.db2.gz ASXDYODRTOSRTR-SLEUVZQESA-N 1 0 318.421 0.796 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000861767782 666976347 /nfs/dbraw/zinc/97/63/47/666976347.db2.gz WLQGVJQIKKAQMY-ZDUSSCGKSA-N 1 0 320.437 0.955 20 10 DCCDRO COc1cccc(O)c1C[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000865798359 667348611 /nfs/dbraw/zinc/34/86/11/667348611.db2.gz SLLPBJYIUYAHMC-MRXNPFEDSA-N 1 0 322.361 0.118 20 10 DCCDRO O=S(=O)(NCCCSc1nccs1)N1CC[NH2+]CC1 ZINC000923609506 667651392 /nfs/dbraw/zinc/65/13/92/667651392.db2.gz OEENKJVJPTXITF-UHFFFAOYSA-N 1 0 322.481 0.365 20 10 DCCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000749125467 667946923 /nfs/dbraw/zinc/94/69/23/667946923.db2.gz GTCBHOHWBHUMGX-OCCSQVGLSA-N 1 0 318.421 0.742 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)OC)CC2)cc1 ZINC000754010279 668040127 /nfs/dbraw/zinc/04/01/27/668040127.db2.gz RKQWHIQITMMWBA-OAHLLOKOSA-N 1 0 309.410 0.671 20 10 DCCDRO Fc1cc(CN[C@H]2C[NH2+]CCOC2)ccc1N1CCOCC1 ZINC000925482820 668325108 /nfs/dbraw/zinc/32/51/08/668325108.db2.gz XYSYDFRNHWZUOF-AWEZNQCLSA-N 1 0 309.385 0.740 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1 ZINC000927026611 668445380 /nfs/dbraw/zinc/44/53/80/668445380.db2.gz QRGOSVVOCIFJLR-ZJUUUORDSA-N 1 0 303.380 0.457 20 10 DCCDRO O=C(CN1CC[NH2+]CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000876727336 668497154 /nfs/dbraw/zinc/49/71/54/668497154.db2.gz XRFRZRSNRLWATL-UHFFFAOYSA-N 1 0 318.421 0.045 20 10 DCCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](O)CN1CCOCC1 ZINC000769469151 668649171 /nfs/dbraw/zinc/64/91/71/668649171.db2.gz SWRLBWVEXTXBPA-CYBMUJFWSA-N 1 0 324.377 0.246 20 10 DCCDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775370575 668861274 /nfs/dbraw/zinc/86/12/74/668861274.db2.gz WNRQBIVFXDVUDD-ZJUUUORDSA-N 1 0 310.350 0.729 20 10 DCCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c(O)c1 ZINC000785984097 669284191 /nfs/dbraw/zinc/28/41/91/669284191.db2.gz DPYCDDPGDJOWHK-GFCCVEGCSA-N 1 0 300.380 0.654 20 10 DCCDRO CN1CC[NH+](CCCCNC(=O)c2cccc(O)c2O)CC1 ZINC000790535049 669559637 /nfs/dbraw/zinc/55/96/37/669559637.db2.gz AWNXDVOXQSCWJW-UHFFFAOYSA-N 1 0 307.394 0.855 20 10 DCCDRO Nc1ccc(-n2cc(CNC(=O)C3CC[NH2+]CC3)nn2)cc1 ZINC000849134933 670758602 /nfs/dbraw/zinc/75/86/02/670758602.db2.gz XHGHKGIUGKEBOJ-UHFFFAOYSA-N 1 0 300.366 0.465 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000851664663 671007585 /nfs/dbraw/zinc/00/75/85/671007585.db2.gz IGNRSTOMDVAFRU-AWEZNQCLSA-N 1 0 318.421 0.809 20 10 DCCDRO Cc1ccc([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000858569832 671016334 /nfs/dbraw/zinc/01/63/34/671016334.db2.gz OALSRBCBOOMYSC-LLVKDONJSA-N 1 0 313.423 0.842 20 10 DCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121529 671097416 /nfs/dbraw/zinc/09/74/16/671097416.db2.gz MIKUHFBKQHOAKL-AWEZNQCLSA-N 1 0 312.385 0.884 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)c1cn(CC[NH3+])nn1 ZINC000852800922 671162116 /nfs/dbraw/zinc/16/21/16/671162116.db2.gz UZOWTUGOCRCWHP-UHFFFAOYSA-N 1 0 303.366 0.995 20 10 DCCDRO O=C1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC[C@@H]2N1 ZINC000853558979 671244684 /nfs/dbraw/zinc/24/46/84/671244684.db2.gz QZGOASGXXJTDLH-RIEGTJTDSA-N 1 0 318.373 0.919 20 10 DCCDRO OCC1(O)CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000827146618 671516489 /nfs/dbraw/zinc/51/64/89/671516489.db2.gz HVZTVVJUYXJWHH-UHFFFAOYSA-N 1 0 324.396 0.982 20 10 DCCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469322 671528859 /nfs/dbraw/zinc/52/88/59/671528859.db2.gz URZNWPJYEBSWAK-UKRRQHHQSA-N 1 0 318.421 0.742 20 10 DCCDRO C[C@@H](NC(=O)COCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827725722 671536672 /nfs/dbraw/zinc/53/66/72/671536672.db2.gz NBKIGALEJLOZGG-CYBMUJFWSA-N 1 0 307.394 0.676 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCn2ccnn2)cc1 ZINC000832285172 671713400 /nfs/dbraw/zinc/71/34/00/671713400.db2.gz PEEWNOGEZAYJIW-AWEZNQCLSA-N 1 0 302.382 0.550 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000841651836 671946840 /nfs/dbraw/zinc/94/68/40/671946840.db2.gz BCTRIHBYPFIZGK-OAHLLOKOSA-N 1 0 306.410 0.930 20 10 DCCDRO [NH3+][C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000841712061 671951461 /nfs/dbraw/zinc/95/14/61/671951461.db2.gz KUOLQCTUVOUCLH-ZDUSSCGKSA-N 1 0 322.384 0.905 20 10 DCCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841731105 671952052 /nfs/dbraw/zinc/95/20/52/671952052.db2.gz YCOMHUBPUSJKIA-ZDUSSCGKSA-N 1 0 306.410 0.917 20 10 DCCDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841731103 671952060 /nfs/dbraw/zinc/95/20/60/671952060.db2.gz YCOMHUBPUSJKIA-CYBMUJFWSA-N 1 0 306.410 0.917 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000842035296 671977424 /nfs/dbraw/zinc/97/74/24/671977424.db2.gz FCFKQSFIFJNBKT-KRWDZBQOSA-N 1 0 318.421 0.566 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000842034955 671977446 /nfs/dbraw/zinc/97/74/46/671977446.db2.gz AEVFBBYMLNGRCV-GFCCVEGCSA-N 1 0 304.394 0.189 20 10 DCCDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842037355 671978160 /nfs/dbraw/zinc/97/81/60/671978160.db2.gz ZNSISIHDMXPDTI-OAHLLOKOSA-N 1 0 318.421 0.579 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1F ZINC000842149047 671985658 /nfs/dbraw/zinc/98/56/58/671985658.db2.gz ULWMPQUEBXYOOF-LBPRGKRZSA-N 1 0 322.384 0.376 20 10 DCCDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842148376 671985990 /nfs/dbraw/zinc/98/59/90/671985990.db2.gz MZCPKCYCWXBYLH-SNVBAGLBSA-N 1 0 310.373 0.361 20 10 DCCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170879 671988549 /nfs/dbraw/zinc/98/85/49/671988549.db2.gz MVFDMSIPSUJKQB-ZDUSSCGKSA-N 1 0 316.405 0.485 20 10 DCCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000842170164 671988763 /nfs/dbraw/zinc/98/87/63/671988763.db2.gz CWNKLTLNESGUNO-UHFFFAOYSA-N 1 0 314.389 0.111 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000842202830 671994205 /nfs/dbraw/zinc/99/42/05/671994205.db2.gz MAOGVNVQJGTMDG-IUODEOHRSA-N 1 0 318.421 0.880 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842206657 671994834 /nfs/dbraw/zinc/99/48/34/671994834.db2.gz HUTOXZNDTKOYNO-UHFFFAOYSA-N 1 0 318.421 0.629 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000842255736 672000730 /nfs/dbraw/zinc/00/07/30/672000730.db2.gz WRNOTVVOOLKMNZ-ZDUSSCGKSA-N 1 0 320.437 0.953 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCN2C(N)=O)cc1 ZINC000843298791 672079928 /nfs/dbraw/zinc/07/99/28/672079928.db2.gz PVMKYMZYXRJMAD-KBPBESRZSA-N 1 0 319.409 0.412 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN(C)C(=O)C2CC2)cc1 ZINC000843299105 672080567 /nfs/dbraw/zinc/08/05/67/672080567.db2.gz ROQIKMKAZDSCNO-HNNXBMFYSA-N 1 0 318.421 0.737 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000846697232 672338488 /nfs/dbraw/zinc/33/84/88/672338488.db2.gz MTVQHTLJQRWNGS-INIZCTEOSA-N 1 0 321.421 0.968 20 10 DCCDRO COc1ccc(CNS(=O)(=O)C[C@@H]2CC[NH2+]C2)c(O)c1 ZINC001574035465 1163627495 /nfs/dbraw/zinc/62/74/95/1163627495.db2.gz UYNSIJNQJNCGSB-SNVBAGLBSA-N 1 0 300.380 0.430 20 10 DCCDRO C[S@@](=O)C1(C(=O)NCc2cccc(O)c2O)CC[NH2+]CC1 ZINC001579355116 1165286554 /nfs/dbraw/zinc/28/65/54/1165286554.db2.gz JLADVUVTGJOWTD-OAQYLSRUSA-N 1 0 312.391 0.215 20 10 DCCDRO CCn1cc(C[NH2+]Cc2cc(OC)ccc2O)c(=O)[nH]c1=O ZINC001665947411 1174576079 /nfs/dbraw/zinc/57/60/79/1174576079.db2.gz OGXBGMFQPULFFJ-UHFFFAOYSA-N 1 0 305.334 0.973 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)cc1C ZINC001699421053 1178129766 /nfs/dbraw/zinc/12/97/66/1178129766.db2.gz YSEOUWNBWCOPAQ-AAEUAGOBSA-N 1 0 320.393 0.279 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)NC(N)=O)cc1C ZINC001713586541 1180945614 /nfs/dbraw/zinc/94/56/14/1180945614.db2.gz KKHLGCCFPIZJLW-LBPRGKRZSA-N 1 0 322.409 0.608 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC(N)=O)cc1C ZINC001717402471 1182822581 /nfs/dbraw/zinc/82/25/81/1182822581.db2.gz GKIBYCNXLQAZTD-NEPJUHHUSA-N 1 0 307.394 0.862 20 10 DCCDRO CO[C@@H]1CC[N@H+](CCOc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226469928 748882970 /nfs/dbraw/zinc/88/29/70/748882970.db2.gz ZRKMORFINRSALB-SSDOTTSWSA-N 1 0 301.295 0.314 20 10 DCCDRO C[C@H]1C(=O)NN=C2COc3ccc(N(C)C(C)(C)C[NH3+])cc3N21 ZINC001170059283 761720433 /nfs/dbraw/zinc/72/04/33/761720433.db2.gz FMNCYAPOPMBLFP-JTQLQIEISA-N 1 0 317.393 0.891 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC(=O)NC2)cc1C ZINC001130705934 763441174 /nfs/dbraw/zinc/44/11/74/763441174.db2.gz QAGGVEGPFVALGV-AWEZNQCLSA-N 1 0 319.405 0.736 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC001170994194 766377343 /nfs/dbraw/zinc/37/73/43/766377343.db2.gz MIMRQUGWFCIAOZ-JTQLQIEISA-N 1 0 307.350 0.734 20 10 DCCDRO [NH3+]C1CCC(NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001119358986 766644734 /nfs/dbraw/zinc/64/47/34/766644734.db2.gz DJYYGDWQZXEPPX-UHFFFAOYSA-N 1 0 303.362 0.621 20 10 DCCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514714 766964915 /nfs/dbraw/zinc/96/49/15/766964915.db2.gz PIPQIMAGKGUGPO-GFCCVEGCSA-N 1 0 324.377 0.921 20 10 DCCDRO C[NH+](C)CCC(C)(C)NC(=O)CN1C(=O)CSC1=S ZINC001144848585 767064457 /nfs/dbraw/zinc/06/44/57/767064457.db2.gz RTCCJDLTPYDXLQ-UHFFFAOYSA-N 1 0 303.453 0.693 20 10 DCCDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N)cc2)[C@@H](C)C1 ZINC001120591587 767088788 /nfs/dbraw/zinc/08/87/88/767088788.db2.gz BNEIEKCGRUUQCD-QWHCGFSZSA-N 1 0 306.410 0.865 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)cc1 ZINC001121980461 767687602 /nfs/dbraw/zinc/68/76/02/767687602.db2.gz BQDDYJPYSHBIKK-OAHLLOKOSA-N 1 0 318.421 0.566 20 10 DCCDRO COc1cc(CN2CCO[C@@H](C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139258282 768464151 /nfs/dbraw/zinc/46/41/51/768464151.db2.gz OWDXUXIGLJEEQM-CQSZACIVSA-N 1 0 323.393 0.149 20 10 DCCDRO COc1cc(CN2CC(C(=O)N(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139257038 768464544 /nfs/dbraw/zinc/46/45/44/768464544.db2.gz PLCYXYFUOUKCKB-UHFFFAOYSA-N 1 0 321.421 0.982 20 10 DCCDRO COC(=O)[C@@H]1CN(C)CCN1Cc1cc(OC)c(O)cc1O ZINC001231639157 769270995 /nfs/dbraw/zinc/27/09/95/769270995.db2.gz DLDVCJXKUXXCOT-NSHDSACASA-N 1 0 310.350 0.395 20 10 DCCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCN1C ZINC001232840842 769337724 /nfs/dbraw/zinc/33/77/24/769337724.db2.gz LTGKZKRJHHVHAY-CQSZACIVSA-N 1 0 307.394 0.747 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)C(C)(C)O)CC2)c(OC)c1 ZINC001175522618 769917242 /nfs/dbraw/zinc/91/72/42/769917242.db2.gz JXDPACIMULZADW-MRXNPFEDSA-N 1 0 324.421 0.958 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@@H]1[NH3+] ZINC001236356764 770006651 /nfs/dbraw/zinc/00/66/51/770006651.db2.gz RQCZYZHSJUAHBH-MNOVXSKESA-N 1 0 314.769 0.986 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1 ZINC001158546787 771787937 /nfs/dbraw/zinc/78/79/37/771787937.db2.gz MBHOLIKZGQBVJN-FRFSOERESA-N 1 0 301.390 0.791 20 10 DCCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2cccc(O)c2C1 ZINC001160872019 772130374 /nfs/dbraw/zinc/13/03/74/772130374.db2.gz GBOZJTACWSLDSH-ZBEGNZNMSA-N 1 0 319.405 0.767 20 10 DCCDRO CON(C)C(=O)[C@H]1CCc2cc(N(CC[NH3+])CCO)ccc2O1 ZINC001163839564 772581383 /nfs/dbraw/zinc/58/13/83/772581383.db2.gz METYGWWWVCEHQG-OAHLLOKOSA-N 1 0 323.393 0.157 20 10 DCCDRO CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc(O)c(O)c1Cl ZINC001193209917 773025233 /nfs/dbraw/zinc/02/52/33/773025233.db2.gz QTYRMRNAEIUMRT-UHFFFAOYSA-N 1 0 308.743 0.112 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H](C[NH2+]CCO)C2CC2)cc1 ZINC001269149862 940632457 /nfs/dbraw/zinc/63/24/57/940632457.db2.gz WEYJRYQIMXWFQG-ZDUSSCGKSA-N 1 0 319.365 0.939 20 10 DCCDRO O=C(NCC1COC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001277191445 944698564 /nfs/dbraw/zinc/69/85/64/944698564.db2.gz CSIQENXDTVKLRO-CXAGYDPISA-N 1 0 318.373 0.682 20 10 DCCDRO COC(=O)Cc1ccc(C[NH+]2CC(N3CCOCC3)C2)c(O)c1 ZINC001249201093 945624610 /nfs/dbraw/zinc/62/46/10/945624610.db2.gz DWBXDHHTOJQCHQ-UHFFFAOYSA-N 1 0 320.389 0.624 20 10 DCCDRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001256013294 946572133 /nfs/dbraw/zinc/57/21/33/946572133.db2.gz VJYJPUDVYQPLPQ-BXUZGUMPSA-N 1 0 310.350 0.952 20 10 DCCDRO CC(=O)N1CCN(c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC001262573103 947730953 /nfs/dbraw/zinc/73/09/53/947730953.db2.gz MUIZMDGJXOWUAK-UHFFFAOYSA-N 1 0 306.366 0.721 20 10 DCCDRO COC(=O)[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179687597 947886625 /nfs/dbraw/zinc/88/66/25/947886625.db2.gz ZTAFDMMRNREIBT-FUEXJSSKSA-N 1 0 320.345 0.427 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001328989128 949265359 /nfs/dbraw/zinc/26/53/59/949265359.db2.gz LLNOKEAXJLXHQA-SUMWQHHRSA-N 1 0 317.389 0.690 20 10 DCCDRO COC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265754713 949920341 /nfs/dbraw/zinc/92/03/41/949920341.db2.gz KGTVOGNERUBECN-GFCCVEGCSA-N 1 0 323.393 0.954 20 10 DCCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[N@@H+]1C ZINC001330185926 950178625 /nfs/dbraw/zinc/17/86/25/950178625.db2.gz ZXHDYFOBMAHDQG-YPMHNXCESA-N 1 0 317.389 0.833 20 10 DCCDRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331184020 951001068 /nfs/dbraw/zinc/00/10/68/951001068.db2.gz DJQFAFPMCPDIRI-GFCCVEGCSA-N 1 0 303.362 0.493 20 10 DCCDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001332127054 951490556 /nfs/dbraw/zinc/49/05/56/951490556.db2.gz FNMYWTFCVMXKKP-SJCJKPOMSA-N 1 0 315.373 0.574 20 10 DCCDRO CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112267 951959442 /nfs/dbraw/zinc/95/94/42/951959442.db2.gz ASMXFLGWQANYFC-UHFFFAOYSA-N 1 0 321.377 0.009 20 10 DCCDRO CN(C)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001275950043 952555284 /nfs/dbraw/zinc/55/52/84/952555284.db2.gz NZIDIBHRTGXSID-SWLSCSKDSA-N 1 0 319.405 0.692 20 10 DCCDRO CN(C(=O)NCCc1ccc(N)cc1)C1(C[NH3+])CCOCC1 ZINC001335591057 952561749 /nfs/dbraw/zinc/56/17/49/952561749.db2.gz SWXOIYZUXXBZKB-UHFFFAOYSA-N 1 0 306.410 0.961 20 10 DCCDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336137135 952649082 /nfs/dbraw/zinc/64/90/82/952649082.db2.gz YLEYXJOUFKPJSY-SJKOYZFVSA-N 1 0 315.373 0.574 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCNC2=O)cc1 ZINC001343021839 953318877 /nfs/dbraw/zinc/31/88/77/953318877.db2.gz PNUASGSKEQSZJA-KGLIPLIRSA-N 1 0 304.394 0.395 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)cc1 ZINC001343357568 953340643 /nfs/dbraw/zinc/34/06/43/953340643.db2.gz XWRWJDUQLBWDBG-ZDUSSCGKSA-N 1 0 316.405 0.189 20 10 DCCDRO C[C@@H](CNC(=O)NCc1c(O)cccc1F)N1CC[NH+](C)CC1 ZINC001346996222 953998056 /nfs/dbraw/zinc/99/80/56/953998056.db2.gz GBKWQOHITHGHDE-LBPRGKRZSA-N 1 0 324.400 0.966 20 10 DCCDRO COCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001284370563 955043819 /nfs/dbraw/zinc/04/38/19/955043819.db2.gz FUQOXFJFKUMOIV-AWEZNQCLSA-N 1 0 310.394 0.559 20 10 DCCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001296246104 957937298 /nfs/dbraw/zinc/93/72/98/957937298.db2.gz KYZMHVNDTRQOAM-MRVWCRGKSA-N 1 0 322.405 0.990 20 10 DCCDRO OCC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CO ZINC001560231663 1012446074 /nfs/dbraw/zinc/44/60/74/1012446074.db2.gz YBVYKLVCWNNAIO-IAGOWNOFSA-N 1 0 320.433 0.946 20 10 DCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001521932381 1017420495 /nfs/dbraw/zinc/42/04/95/1017420495.db2.gz VJPZNMMZUVBEJJ-WWGRRREGSA-N 1 0 321.421 0.607 20 10 DCCDRO CCc1cccc(C[NH2+]C(C)(C)CNS(N)(=O)=O)c1O ZINC001658836482 1173925752 /nfs/dbraw/zinc/92/57/52/1173925752.db2.gz XFKSBENBIYRXNF-UHFFFAOYSA-N 1 0 301.412 0.616 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000245682779 529780079 /nfs/dbraw/zinc/78/00/79/529780079.db2.gz KIGYHLAVMYKYKO-JKSUJKDBSA-N 1 0 321.421 0.139 20 10 DCCDRO CO[C@@H](C[NH3+])CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000278355303 238336626 /nfs/dbraw/zinc/33/66/26/238336626.db2.gz ZWSQGMAOIZDKSL-MRXNPFEDSA-N 1 0 321.421 0.845 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)cc1 ZINC000298360809 132058665 /nfs/dbraw/zinc/05/86/65/132058665.db2.gz FZFKAJKOEBAVRF-HNNXBMFYSA-N 1 0 320.437 0.858 20 10 DCCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000093583955 395738915 /nfs/dbraw/zinc/73/89/15/395738915.db2.gz BPPUCQLOLRPHMZ-OAHLLOKOSA-N 1 0 324.421 0.916 20 10 DCCDRO C[C@H]1CCCC[N@@H+]1CCCNC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000052529104 395864951 /nfs/dbraw/zinc/86/49/51/395864951.db2.gz RQGWFPZUDNBSSZ-LBPRGKRZSA-N 1 0 322.409 0.775 20 10 DCCDRO CNC(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891570706 657491354 /nfs/dbraw/zinc/49/13/54/657491354.db2.gz DEJRUCDTXXMTFY-AWEZNQCLSA-N 1 0 321.425 0.401 20 10 DCCDRO NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001019854350 659624935 /nfs/dbraw/zinc/62/49/35/659624935.db2.gz YMICNIIWXQOZHJ-NSHDSACASA-N 1 0 318.337 0.138 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)C(=O)NCCF)c(O)c1OC ZINC000894256593 661740413 /nfs/dbraw/zinc/74/04/13/661740413.db2.gz HTFSADJMAPQDEJ-SECBINFHSA-N 1 0 300.330 0.973 20 10 DCCDRO C#CCNC(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000147318127 661923519 /nfs/dbraw/zinc/92/35/19/661923519.db2.gz VMWPLNOHXCXRHS-UHFFFAOYSA-N 1 0 301.390 0.752 20 10 DCCDRO Cc1ccc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c(O)c1 ZINC000895788736 662216467 /nfs/dbraw/zinc/21/64/67/662216467.db2.gz FYHLYURHGGQJJB-UHFFFAOYSA-N 1 0 313.361 0.774 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]3CO)cc2)CC1 ZINC000896443735 662271808 /nfs/dbraw/zinc/27/18/08/662271808.db2.gz AXGMGACZFZCODB-MRXNPFEDSA-N 1 0 318.421 0.715 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C(N)=O)C2)cc1C ZINC000989400307 662910512 /nfs/dbraw/zinc/91/05/12/662910512.db2.gz XCMOTDSATQIULU-AAEUAGOBSA-N 1 0 305.378 0.568 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503123 664066221 /nfs/dbraw/zinc/06/62/21/664066221.db2.gz KLVMTWJHYYDCCV-UHFFFAOYSA-N 1 0 318.421 0.709 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000917198378 665121446 /nfs/dbraw/zinc/12/14/46/665121446.db2.gz AHEWICACNRVPBC-HUUCEWRRSA-N 1 0 302.422 0.520 20 10 DCCDRO COc1ccc(N2CCN(C(=O)CN(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000863568593 667158765 /nfs/dbraw/zinc/15/87/65/667158765.db2.gz LXFQDMGFZHFKOB-AWEZNQCLSA-N 1 0 320.437 0.623 20 10 DCCDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1O ZINC000865686314 667338858 /nfs/dbraw/zinc/33/88/58/667338858.db2.gz LCBWSHHEEGNZPR-QWRGUYRKSA-N 1 0 324.377 0.947 20 10 DCCDRO O=C1COC[C@]2(C[NH2+]Cc3ccc4c(c3)CCO4)COCCN12 ZINC000865800911 667349062 /nfs/dbraw/zinc/34/90/62/667349062.db2.gz OPGVFGUCWTWWRA-KRWDZBQOSA-N 1 0 318.373 0.339 20 10 DCCDRO C[C@@H](NS(=O)(=O)N(C)C1CC[NH2+]CC1)c1ccccc1O ZINC000866814630 667401723 /nfs/dbraw/zinc/40/17/23/667401723.db2.gz SJELMBAXNJODAL-LLVKDONJSA-N 1 0 313.423 0.971 20 10 DCCDRO COc1cc(O)c(CN2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000189839326 667461939 /nfs/dbraw/zinc/46/19/39/667461939.db2.gz CNSSJIIPYUAYJE-LBPRGKRZSA-N 1 0 310.394 0.908 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c1 ZINC000872263095 667884394 /nfs/dbraw/zinc/88/43/94/667884394.db2.gz VUCVVDXWJHYYSC-OAHLLOKOSA-N 1 0 308.334 0.712 20 10 DCCDRO O=C1COC[C@]2(C[NH2+]Cc3cc(F)ccc3O)COCCN12 ZINC000877733819 668643943 /nfs/dbraw/zinc/64/39/43/668643943.db2.gz YULJNWODARXZIO-HNNXBMFYSA-N 1 0 310.325 0.249 20 10 DCCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3c(O)cccc3OC)CCN2C1=O ZINC000770292331 668687890 /nfs/dbraw/zinc/68/78/90/668687890.db2.gz PHNNSRZFLJCVQC-LBPRGKRZSA-N 1 0 319.361 0.869 20 10 DCCDRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652393 669082111 /nfs/dbraw/zinc/08/21/11/669082111.db2.gz CLVNZJSLSTUVFK-QWRGUYRKSA-N 1 0 309.366 0.904 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@H](O)[C@@H](C)O)CC2)c(OC)c1 ZINC000931531748 669217982 /nfs/dbraw/zinc/21/79/82/669217982.db2.gz HZIBSZQEDCOJAH-DOMZBBRYSA-N 1 0 310.394 0.568 20 10 DCCDRO NC(=O)C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000789557461 669501517 /nfs/dbraw/zinc/50/15/17/669501517.db2.gz IKRVJOMPILNWJD-UHFFFAOYSA-N 1 0 319.405 0.647 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCN(c2nncn2C)CC1 ZINC000848925415 670740525 /nfs/dbraw/zinc/74/05/25/670740525.db2.gz VGKSLONQTDLZRY-UHFFFAOYSA-N 1 0 303.366 0.852 20 10 DCCDRO C[C@@H]1C[NH+]=C(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)N1 ZINC000848995340 670747236 /nfs/dbraw/zinc/74/72/36/670747236.db2.gz GZUOSSQCWZYKFF-OCCSQVGLSA-N 1 0 315.421 0.826 20 10 DCCDRO OCCO[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000850358112 670909028 /nfs/dbraw/zinc/90/90/28/670909028.db2.gz HCALEFJZBPFAHR-OAHLLOKOSA-N 1 0 311.334 0.379 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc1 ZINC000851685934 671013487 /nfs/dbraw/zinc/01/34/87/671013487.db2.gz IDMWBMAZHKAPAI-ZDUSSCGKSA-N 1 0 320.437 0.873 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000852802565 671162313 /nfs/dbraw/zinc/16/23/13/671162313.db2.gz QCZXKYAWPBAYAA-VIFPVBQESA-N 1 0 305.338 0.442 20 10 DCCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832172891 671706892 /nfs/dbraw/zinc/70/68/92/671706892.db2.gz NNAZETSFVPFJQD-MRXNPFEDSA-N 1 0 318.421 0.709 20 10 DCCDRO CNC(=O)C1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC000832274591 671713271 /nfs/dbraw/zinc/71/32/71/671713271.db2.gz WDIAVIBSCLGOCY-AWEZNQCLSA-N 1 0 318.421 0.785 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(=O)n(C)c2)cc1 ZINC000832300212 671714011 /nfs/dbraw/zinc/71/40/11/671714011.db2.gz OSKXQPGZHRUVKD-HNNXBMFYSA-N 1 0 314.389 0.881 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000841826804 671957556 /nfs/dbraw/zinc/95/75/56/671957556.db2.gz JEWNMDHYMFYVNO-INIZCTEOSA-N 1 0 319.453 0.845 20 10 DCCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000841892643 671963339 /nfs/dbraw/zinc/96/33/39/671963339.db2.gz POLNLPGMVKTRES-GFCCVEGCSA-N 1 0 322.361 0.654 20 10 DCCDRO [NH3+]CCCNC(=O)C(=O)NCCCSc1nccs1 ZINC000842092378 671981959 /nfs/dbraw/zinc/98/19/59/671981959.db2.gz LIEALXBYJSFPPV-UHFFFAOYSA-N 1 0 302.425 0.207 20 10 DCCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147496 671985649 /nfs/dbraw/zinc/98/56/49/671985649.db2.gz FBJHODLNQRZDED-JTQLQIEISA-N 1 0 310.373 0.219 20 10 DCCDRO CC[NH2+]CCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147597 671985898 /nfs/dbraw/zinc/98/58/98/671985898.db2.gz GXBIMBBWRQPSAC-UHFFFAOYSA-N 1 0 324.400 0.624 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000842153238 671986307 /nfs/dbraw/zinc/98/63/07/671986307.db2.gz MQUPPSHJFQJAOV-HNNXBMFYSA-N 1 0 318.421 0.531 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150668 671986381 /nfs/dbraw/zinc/98/63/81/671986381.db2.gz UNXQGVRKMOOJTO-UHFFFAOYSA-N 1 0 318.421 0.363 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000842151786 671986511 /nfs/dbraw/zinc/98/65/11/671986511.db2.gz CTFAKJZTPSAKNS-HNNXBMFYSA-N 1 0 318.421 0.531 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000842202713 671994252 /nfs/dbraw/zinc/99/42/52/671994252.db2.gz KRUNGGXAZMTJCP-NHYWBVRUSA-N 1 0 318.421 0.783 20 10 DCCDRO COC[C@@H](C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784752 672036963 /nfs/dbraw/zinc/03/69/63/672036963.db2.gz LOBJDFHYUUWXFJ-BXUZGUMPSA-N 1 0 315.439 0.707 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843997396 672134793 /nfs/dbraw/zinc/13/47/93/672134793.db2.gz FHTDMYBPDWPOEF-CXLRFSCWSA-N 1 0 304.346 0.388 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000844222483 672165466 /nfs/dbraw/zinc/16/54/66/672165466.db2.gz GOSPLHZECKSQQU-IYBDPMFKSA-N 1 0 316.449 0.862 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](C[NH3+])C2)cc1 ZINC000844223059 672165606 /nfs/dbraw/zinc/16/56/06/672165606.db2.gz QETWRWKFNKLQFO-HNNXBMFYSA-N 1 0 306.410 0.028 20 10 DCCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001543079237 1159817478 /nfs/dbraw/zinc/81/74/78/1159817478.db2.gz LBWMMQGPBZSNGI-LBPRGKRZSA-N 1 0 307.394 0.392 20 10 DCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001573551562 1163490760 /nfs/dbraw/zinc/49/07/60/1163490760.db2.gz ALTSGBMRHIKGNI-NSHDSACASA-N 1 0 304.394 0.352 20 10 DCCDRO CC[NH+]1CCN(CCCNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001629923703 1171560781 /nfs/dbraw/zinc/56/07/81/1171560781.db2.gz JKCCGRVABQFJGX-UHFFFAOYSA-N 1 0 321.421 0.784 20 10 DCCDRO COC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@H+](C)C1 ZINC001639309778 1171832114 /nfs/dbraw/zinc/83/21/14/1171832114.db2.gz AOVVTFBQYOECLT-LBPRGKRZSA-N 1 0 322.361 0.204 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001644702460 1172017395 /nfs/dbraw/zinc/01/73/95/1172017395.db2.gz DECGZWGEUQGJOU-PSVOHZHUSA-N 1 0 318.373 0.779 20 10 DCCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cn2ccnn2)c1O ZINC001652631021 1173773789 /nfs/dbraw/zinc/77/37/89/1173773789.db2.gz ADLHQLKSBJKGFG-NSHDSACASA-N 1 0 312.757 0.796 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNCc3nc(CO)n[nH]3)cc2)CC1 ZINC001658800306 1173925543 /nfs/dbraw/zinc/92/55/43/1173925543.db2.gz HXUREMRPGPZONU-UHFFFAOYSA-N 1 0 316.409 0.339 20 10 DCCDRO COc1ccc(-n2nnnc2C[NH2+]C[C@@H](C)CNC(C)=O)cc1 ZINC001715220649 1181720215 /nfs/dbraw/zinc/72/02/15/1181720215.db2.gz PGQSILFIEGFNIX-LLVKDONJSA-N 1 0 318.381 0.533 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)C(N)=O)C2CC2)cc1C ZINC001731407105 1185320972 /nfs/dbraw/zinc/32/09/72/1185320972.db2.gz VRDJMCXRMVXNCT-ZDUSSCGKSA-N 1 0 305.378 0.473 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CN(C)C(C)=O)cc1C ZINC001123815356 751390198 /nfs/dbraw/zinc/39/01/98/751390198.db2.gz RZUJOJVENLQQKE-UHFFFAOYSA-N 1 0 307.394 0.688 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CCc2nnc[nH]2)cc1C ZINC001125414180 747119791 /nfs/dbraw/zinc/11/97/91/747119791.db2.gz DYPWOIGSKDFHSP-UHFFFAOYSA-N 1 0 317.393 0.960 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCO)CC2)cc(OC)n1 ZINC001052527252 759473181 /nfs/dbraw/zinc/47/31/81/759473181.db2.gz VEQFOAJEVSBCIB-CYBMUJFWSA-N 1 0 323.393 0.675 20 10 DCCDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)c1cccc(O)c1O ZINC001148214834 767937496 /nfs/dbraw/zinc/93/74/96/767937496.db2.gz ZHMUEERVJQBTSV-SNVBAGLBSA-N 1 0 300.318 0.887 20 10 DCCDRO Oc1ccc(CNc2nccnc2N2CC[NH2+]CC2)cc1O ZINC001169994120 761375424 /nfs/dbraw/zinc/37/54/24/761375424.db2.gz ZNXBQWCHPNSTKW-UHFFFAOYSA-N 1 0 301.350 0.910 20 10 DCCDRO CS(=O)(=O)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509237 766964422 /nfs/dbraw/zinc/96/44/22/766964422.db2.gz PZHUMESZHXYVMK-UHFFFAOYSA-N 1 0 301.364 0.812 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001120535885 767067014 /nfs/dbraw/zinc/06/70/14/767067014.db2.gz RYYLDEAUKYHQSS-VXGBXAGGSA-N 1 0 317.389 0.596 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C3(C[NH3+])CC(O)C3)CC2)cc1 ZINC001121896662 767660428 /nfs/dbraw/zinc/66/04/28/767660428.db2.gz DKWJMIPULYNPQY-UHFFFAOYSA-N 1 0 319.405 0.444 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[C@H]3C(=O)O4)cc2)CC1 ZINC001139410960 768472700 /nfs/dbraw/zinc/47/27/00/768472700.db2.gz NQJZSECRJTUTIE-HOTGVXAUSA-N 1 0 301.390 0.938 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1O ZINC001140660195 768538478 /nfs/dbraw/zinc/53/84/78/768538478.db2.gz JFOKYPPMBDFEOL-RHSMWYFYSA-N 1 0 324.396 0.837 20 10 DCCDRO COc1cc(O)c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(OC)c1 ZINC001235994336 769965879 /nfs/dbraw/zinc/96/58/79/769965879.db2.gz LGUMTLQPTHALAF-SOSAQKQKSA-N 1 0 308.378 0.815 20 10 DCCDRO Oc1ccc(C[NH+]2CCN(c3ncc(O)cn3)CC2)c(O)c1 ZINC001204277604 771160700 /nfs/dbraw/zinc/16/07/00/771160700.db2.gz GMRYBGCUXCOOJH-UHFFFAOYSA-N 1 0 302.334 0.916 20 10 DCCDRO C[NH+]1CCC(O)(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001182031361 771390018 /nfs/dbraw/zinc/39/00/18/771390018.db2.gz AECLAAZYNXIDMY-UHFFFAOYSA-N 1 0 320.389 0.829 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])C(=O)CCc1ccc(O)c(O)c1 ZINC001182157566 771422758 /nfs/dbraw/zinc/42/27/58/771422758.db2.gz VDJWULPOBZDNQP-UHFFFAOYSA-N 1 0 310.350 0.381 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Br)C[C@H]1O ZINC001206467881 773078937 /nfs/dbraw/zinc/07/89/37/773078937.db2.gz CUUPAMCTSSSEDU-QPUJVOFHSA-N 1 0 301.184 0.906 20 10 DCCDRO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1O ZINC001206512641 773082826 /nfs/dbraw/zinc/08/28/26/773082826.db2.gz SCVLMFIZJQVAGV-CABZTGNLSA-N 1 0 301.184 0.906 20 10 DCCDRO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000400214091 774023226 /nfs/dbraw/zinc/02/32/26/774023226.db2.gz KVKYTBIXUIERBS-SNVBAGLBSA-N 1 0 314.363 0.244 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2COC(=O)N2)cc1C ZINC001481225705 939653618 /nfs/dbraw/zinc/65/36/18/939653618.db2.gz SOFABZOOGMYIOE-ZDUSSCGKSA-N 1 0 321.377 0.660 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cn2cnnn2)cc1C ZINC001268680175 940328104 /nfs/dbraw/zinc/32/81/04/940328104.db2.gz YUPWSQXMEDKIFS-LBPRGKRZSA-N 1 0 318.381 0.285 20 10 DCCDRO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001272386165 942729009 /nfs/dbraw/zinc/72/90/09/942729009.db2.gz AYKDRGDIMWRWGV-INIZCTEOSA-N 1 0 306.362 0.779 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2ccn[nH]2)cc1C ZINC001485977464 944443203 /nfs/dbraw/zinc/44/32/03/944443203.db2.gz SRGXCDMCVZHCTI-ZDUSSCGKSA-N 1 0 318.377 0.607 20 10 DCCDRO NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001277408250 944810933 /nfs/dbraw/zinc/81/09/33/944810933.db2.gz MYCFERHSCKKPPK-PBHICJAKSA-N 1 0 301.390 0.973 20 10 DCCDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)c(O)c1 ZINC001277453896 944825771 /nfs/dbraw/zinc/82/57/71/944825771.db2.gz JVQMBXKDDDZPCX-KYOSRNDESA-N 1 0 306.362 0.866 20 10 DCCDRO COC(=O)Cc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC001249201320 945625502 /nfs/dbraw/zinc/62/55/02/945625502.db2.gz OKRAYFBKFQIFAV-UHFFFAOYSA-N 1 0 306.362 0.772 20 10 DCCDRO Oc1ccc([C@@H](O)C[NH2+]C[C@@H](O)COCc2ccco2)cc1O ZINC001252626038 945969900 /nfs/dbraw/zinc/96/99/00/945969900.db2.gz ZJSCAWYSCLZOPE-WBMJQRKESA-N 1 0 323.345 0.892 20 10 DCCDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261864955 947463852 /nfs/dbraw/zinc/46/38/52/947463852.db2.gz QQWQERUGDMNVRT-LBPRGKRZSA-N 1 0 317.389 0.645 20 10 DCCDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001261876103 947470591 /nfs/dbraw/zinc/47/05/91/947470591.db2.gz ZCUAOMAKLFYNJZ-INIZCTEOSA-N 1 0 303.362 0.432 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H]3C[NH2+]CCN3C)CC2)cc1 ZINC001263092200 947806070 /nfs/dbraw/zinc/80/60/70/947806070.db2.gz KOWHNRIDOPTCPN-INIZCTEOSA-N 1 0 318.421 0.247 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001327409069 948498662 /nfs/dbraw/zinc/49/86/62/948498662.db2.gz PLUKMGZZPCVIKT-UHFFFAOYSA-N 1 0 305.378 0.596 20 10 DCCDRO CN1CCN(c2ccc(C[NH2+]CC(=O)NC3CC3)cc2F)CC1 ZINC001328221193 948752293 /nfs/dbraw/zinc/75/22/93/948752293.db2.gz RDOOSRYJZQUNLM-UHFFFAOYSA-N 1 0 320.412 0.946 20 10 DCCDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C[NH2+]1 ZINC001329116670 949367826 /nfs/dbraw/zinc/36/78/26/949367826.db2.gz ULUMPWCLWZKASD-DGCLKSJQSA-N 1 0 305.378 0.607 20 10 DCCDRO C[N@H+](CCNC(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC001330101308 950123779 /nfs/dbraw/zinc/12/37/79/950123779.db2.gz XDQLNIDYYHETDF-UHFFFAOYSA-N 1 0 303.362 0.445 20 10 DCCDRO C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C[NH3+])C1 ZINC001330566651 950511734 /nfs/dbraw/zinc/51/17/34/950511734.db2.gz AEDARPLKZMDUBT-YPMHNXCESA-N 1 0 317.389 0.820 20 10 DCCDRO [NH3+]C[C@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC001331191656 951008213 /nfs/dbraw/zinc/00/82/13/951008213.db2.gz JWYZXJLIEYIYLW-AWEZNQCLSA-N 1 0 317.389 0.868 20 10 DCCDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001331490424 951142228 /nfs/dbraw/zinc/14/22/28/951142228.db2.gz XSWDMHITVIVAGR-LBPRGKRZSA-N 1 0 320.437 0.649 20 10 DCCDRO COC(=O)[C@@]1(N2CC[NH+](Cc3ccccc3O)CC2)CCOC1 ZINC001331794911 951325271 /nfs/dbraw/zinc/32/52/71/951325271.db2.gz OEFJZWWQYCIDDW-QGZVFWFLSA-N 1 0 320.389 0.842 20 10 DCCDRO CC1([NH3+])CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001332127608 951492086 /nfs/dbraw/zinc/49/20/86/951492086.db2.gz IQMKJDDYVOOSOU-UHFFFAOYSA-N 1 0 303.362 0.574 20 10 DCCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001274836241 951851714 /nfs/dbraw/zinc/85/17/14/951851714.db2.gz GJYKCDMUOKAVIO-MRXNPFEDSA-N 1 0 320.345 0.774 20 10 DCCDRO CN(C)C(=O)CN1CCC12C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112277 951960129 /nfs/dbraw/zinc/96/01/29/951960129.db2.gz AVWMUNXFCMJKDE-UHFFFAOYSA-N 1 0 321.377 0.152 20 10 DCCDRO COCCOCN1CCC12C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112997 951961693 /nfs/dbraw/zinc/96/16/93/951961693.db2.gz WOYKUSVFEYKNDG-UHFFFAOYSA-N 1 0 324.377 0.684 20 10 DCCDRO CN(C)C(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001275267816 952037647 /nfs/dbraw/zinc/03/76/47/952037647.db2.gz XXNMCWXXKICLMP-DZGCQCFKSA-N 1 0 303.406 0.987 20 10 DCCDRO C[NH2+]CC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001335714507 952587738 /nfs/dbraw/zinc/58/77/38/952587738.db2.gz NYKSXGMQMYGILT-UHFFFAOYSA-N 1 0 317.389 0.692 20 10 DCCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(N)cc1 ZINC001337070883 952806319 /nfs/dbraw/zinc/80/63/19/952806319.db2.gz ZRPOPSFZGKSUBM-UHFFFAOYSA-N 1 0 321.425 0.430 20 10 DCCDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001340893163 953201859 /nfs/dbraw/zinc/20/18/59/953201859.db2.gz GYMKAQZCHGICHK-BXUZGUMPSA-N 1 0 307.394 0.694 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[C@H](O)C[NH3+])CC2)c(OC)c1 ZINC001342298906 953282093 /nfs/dbraw/zinc/28/20/93/953282093.db2.gz FLPJZCFTWLABJP-LBPRGKRZSA-N 1 0 323.393 0.062 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)[NH+](C)C)cc1 ZINC001343047997 953319630 /nfs/dbraw/zinc/31/96/30/953319630.db2.gz QZLRNAOCFRWPLK-HUUCEWRRSA-N 1 0 322.453 0.570 20 10 DCCDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(O)c1O ZINC001344413457 953479165 /nfs/dbraw/zinc/47/91/65/953479165.db2.gz AJOLPHJIIRUTBP-GFCCVEGCSA-N 1 0 308.378 0.983 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C)C[NH2+]1 ZINC001351982831 955478206 /nfs/dbraw/zinc/47/82/06/955478206.db2.gz LJCQQMNGYNDVSZ-GHMZBOCLSA-N 1 0 303.362 0.443 20 10 DCCDRO CC[NH+]1CCN(C2CN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC001353084381 955915266 /nfs/dbraw/zinc/91/52/66/955915266.db2.gz BBMOFBYBRPEUCX-UHFFFAOYSA-N 1 0 305.378 0.560 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC001353145890 955945673 /nfs/dbraw/zinc/94/56/73/955945673.db2.gz GXBPVPDSFCUNKQ-QGZVFWFLSA-N 1 0 320.412 0.756 20 10 DCCDRO C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)c1ccccc1O ZINC001357993982 957412712 /nfs/dbraw/zinc/41/27/12/957412712.db2.gz TXHDFWIGIVWDSO-WCQYABFASA-N 1 0 305.378 0.767 20 10 DCCDRO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182464537 237272069 /nfs/dbraw/zinc/27/20/69/237272069.db2.gz KXKAYRJQZSLXIP-JTQLQIEISA-N 1 0 302.396 0.991 20 10 DCCDRO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)CC1 ZINC000109769674 395798902 /nfs/dbraw/zinc/79/89/02/395798902.db2.gz ACOMOWKMJZQBRV-CYBMUJFWSA-N 1 0 319.405 0.903 20 10 DCCDRO COc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1O ZINC000074171117 396160273 /nfs/dbraw/zinc/16/02/73/396160273.db2.gz SPPBUOHTPQSBIS-CYBMUJFWSA-N 1 0 322.409 0.446 20 10 DCCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000269257714 396401287 /nfs/dbraw/zinc/40/12/87/396401287.db2.gz ULGDOXVIHXILAA-UHFFFAOYSA-N 1 0 307.369 0.894 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@H](C)CO)cc2=O ZINC000292185760 396535376 /nfs/dbraw/zinc/53/53/76/396535376.db2.gz MSYFYTLKTVVIBM-SNVBAGLBSA-N 1 0 322.365 0.814 20 10 DCCDRO Cc1ccc(O)c(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1 ZINC000122024896 415824508 /nfs/dbraw/zinc/82/45/08/415824508.db2.gz AXAOCJQQEJSNAH-UHFFFAOYSA-N 1 0 319.405 0.869 20 10 DCCDRO C[NH2+]CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419701375 337491482 /nfs/dbraw/zinc/49/14/82/337491482.db2.gz ARXSTGRPUXVZOT-UHFFFAOYSA-N 1 0 302.378 0.439 20 10 DCCDRO C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[NH+](C)C ZINC000299272267 534033207 /nfs/dbraw/zinc/03/32/07/534033207.db2.gz VAUDBWCACMOAJI-VIFPVBQESA-N 1 0 315.395 0.444 20 10 DCCDRO COC[C@](C)(O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250503 658086497 /nfs/dbraw/zinc/08/64/97/658086497.db2.gz AOTUZAFUQNZDKY-WBVHZDCISA-N 1 0 323.437 0.869 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nnc[nH]2)[NH+](C)C)cc1 ZINC000891251875 658088564 /nfs/dbraw/zinc/08/85/64/658088564.db2.gz HUBFEKSHRABDNL-CYBMUJFWSA-N 1 0 302.382 0.903 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001027034185 659724872 /nfs/dbraw/zinc/72/48/72/659724872.db2.gz XOYHRPKXAZJLEQ-CYBMUJFWSA-N 1 0 305.378 0.427 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)cc1C ZINC000995069572 665754122 /nfs/dbraw/zinc/75/41/22/665754122.db2.gz GREXHFPNNNOALH-UONOGXRCSA-N 1 0 319.405 0.863 20 10 DCCDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC000895314285 662165984 /nfs/dbraw/zinc/16/59/84/662165984.db2.gz KWILDSPLTQMFJW-MRINAFOASA-N 1 0 316.405 0.284 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1 ZINC000897040187 662386607 /nfs/dbraw/zinc/38/66/07/662386607.db2.gz CMNDKNYSFQNYOV-CYBMUJFWSA-N 1 0 320.389 0.864 20 10 DCCDRO O=S1(=O)C[C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2C1 ZINC000897619135 662915380 /nfs/dbraw/zinc/91/53/80/662915380.db2.gz OLPSZJKRGAEZJP-PHIMTYICSA-N 1 0 311.359 0.597 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)NC(CO)CO)[NH+](C)C)cc1 ZINC000899102783 663123711 /nfs/dbraw/zinc/12/37/11/663123711.db2.gz RUMZICYJNDCZMR-OAHLLOKOSA-N 1 0 324.425 0.008 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)O[C@H]2CNOC2)[NH+](C)C)cc1 ZINC000899098509 663123902 /nfs/dbraw/zinc/12/39/02/663123902.db2.gz PEJMRQGBQAVBRU-GJZGRUSLSA-N 1 0 322.409 0.985 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(O)cc1C ZINC000902526536 663418118 /nfs/dbraw/zinc/41/81/18/663418118.db2.gz IYUZRJGKVMDXIO-LLVKDONJSA-N 1 0 314.407 0.820 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)CCNC(=O)C2)cc1 ZINC000911665140 664096378 /nfs/dbraw/zinc/09/63/78/664096378.db2.gz AHRVVZUUKHYQSX-PBHICJAKSA-N 1 0 318.421 0.785 20 10 DCCDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000922536758 666478011 /nfs/dbraw/zinc/47/80/11/666478011.db2.gz ZOLBMHQPFMNEEE-CQSZACIVSA-N 1 0 300.786 0.828 20 10 DCCDRO CCOc1ccc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c(O)c1 ZINC000865686467 667338510 /nfs/dbraw/zinc/33/85/10/667338510.db2.gz OFEBOYHQEBOROG-QWRGUYRKSA-N 1 0 324.377 0.947 20 10 DCCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c1 ZINC000866555083 667381007 /nfs/dbraw/zinc/38/10/07/667381007.db2.gz VRNIQDMGJFPSRW-SUMWQHHRSA-N 1 0 320.389 0.979 20 10 DCCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000868399817 667566181 /nfs/dbraw/zinc/56/61/81/667566181.db2.gz CPXYFMMHCATYLO-OCCSQVGLSA-N 1 0 318.421 0.659 20 10 DCCDRO OC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839156706 667733242 /nfs/dbraw/zinc/73/32/42/667733242.db2.gz ZMJPIVQDJCDDLP-QGZVFWFLSA-N 1 0 306.406 0.842 20 10 DCCDRO C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988090 667781931 /nfs/dbraw/zinc/78/19/31/667781931.db2.gz GCNQIHKMSADPOH-AAEUAGOBSA-N 1 0 305.378 0.828 20 10 DCCDRO COC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000107361166 668138466 /nfs/dbraw/zinc/13/84/66/668138466.db2.gz QRBJNYOCEMCUOP-ZDUSSCGKSA-N 1 0 310.394 0.833 20 10 DCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H](C)O)CC2)cc1 ZINC000758184636 668158756 /nfs/dbraw/zinc/15/87/56/668158756.db2.gz FHDTZFZBQDJFGH-GOEBONIOSA-N 1 0 323.437 0.149 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)CCNC2=O)cc1 ZINC000876505940 668457528 /nfs/dbraw/zinc/45/75/28/668457528.db2.gz CXFBPOMEPUTPHZ-CZUORRHYSA-N 1 0 304.394 0.395 20 10 DCCDRO CC[C@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCNC1=O ZINC000876507289 668458111 /nfs/dbraw/zinc/45/81/11/668458111.db2.gz ZVZHPLRSAUPFAI-YOEHRIQHSA-N 1 0 318.421 0.785 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@]2(C)C[NH2+]CCO2)cc1 ZINC000876948034 668540321 /nfs/dbraw/zinc/54/03/21/668540321.db2.gz DAANQYTUCCYYHK-QGZVFWFLSA-N 1 0 321.421 0.968 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000768341398 668606184 /nfs/dbraw/zinc/60/61/84/668606184.db2.gz JLJNMUCIUCVREE-LLVKDONJSA-N 1 0 314.407 0.914 20 10 DCCDRO CNC(=O)C1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877581673 668630521 /nfs/dbraw/zinc/63/05/21/668630521.db2.gz NWBKIXGBWQTURO-UHFFFAOYSA-N 1 0 303.406 0.826 20 10 DCCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC000877655974 668637064 /nfs/dbraw/zinc/63/70/64/668637064.db2.gz RKXWHDCVZCEUJT-UHFFFAOYSA-N 1 0 319.405 0.871 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000775668665 668866384 /nfs/dbraw/zinc/86/63/84/668866384.db2.gz GDYGHONFORCSEK-INIZCTEOSA-N 1 0 318.421 0.125 20 10 DCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C2(O)CCOCC2)c1 ZINC000930216591 668978900 /nfs/dbraw/zinc/97/89/00/668978900.db2.gz LHWRBSSRFAXDAA-ABAIWWIYSA-N 1 0 311.378 0.954 20 10 DCCDRO C[NH2+][C@H](C)c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094852 669297027 /nfs/dbraw/zinc/29/70/27/669297027.db2.gz VEDJNRUREKHBPE-GFCCVEGCSA-N 1 0 316.409 0.941 20 10 DCCDRO Cc1cc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)ccc1N(C)C ZINC000881377858 669331854 /nfs/dbraw/zinc/33/18/54/669331854.db2.gz WDFKCSVBNJCQSN-OAHLLOKOSA-N 1 0 303.410 0.953 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C(N)=O)cc2)CC1 ZINC000881854242 669399110 /nfs/dbraw/zinc/39/91/10/669399110.db2.gz YKEPTJMKTRLUEX-UHFFFAOYSA-N 1 0 318.421 0.566 20 10 DCCDRO COC(=O)c1cn(CC[NH2+]Cc2c(O)cccc2OC)nn1 ZINC000790614176 669562198 /nfs/dbraw/zinc/56/21/98/669562198.db2.gz NRKMYRFEHVOPHR-UHFFFAOYSA-N 1 0 306.322 0.569 20 10 DCCDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)c(O)c1 ZINC000810181534 670477370 /nfs/dbraw/zinc/47/73/70/670477370.db2.gz PJTBHRBLESSGQE-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cn1cccn1 ZINC000818972975 671081841 /nfs/dbraw/zinc/08/18/41/671081841.db2.gz KAKSEGAQURXQEW-KRWDZBQOSA-N 1 0 316.405 0.870 20 10 DCCDRO NC(=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000821064774 671250397 /nfs/dbraw/zinc/25/03/97/671250397.db2.gz HIJYORPUXSJDMI-LLVKDONJSA-N 1 0 311.769 0.612 20 10 DCCDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)ccc(O)c1O ZINC000825643744 671468625 /nfs/dbraw/zinc/46/86/25/671468625.db2.gz KCVGUFDPGMVSOW-ZJUUUORDSA-N 1 0 310.325 0.830 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000827205163 671518201 /nfs/dbraw/zinc/51/82/01/671518201.db2.gz HDDJZAKIAHBHRT-ZDUSSCGKSA-N 1 0 305.378 0.609 20 10 DCCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469323 671528864 /nfs/dbraw/zinc/52/88/64/671528864.db2.gz URZNWPJYEBSWAK-ZFWWWQNUSA-N 1 0 318.421 0.742 20 10 DCCDRO CCC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292419 671713443 /nfs/dbraw/zinc/71/34/43/671713443.db2.gz GVHAQJYATOIQFI-SMDDNHRTSA-N 1 0 306.410 0.783 20 10 DCCDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035751 671977571 /nfs/dbraw/zinc/97/75/71/671977571.db2.gz IINMONDHCNHCGI-SWLSCSKDSA-N 1 0 318.421 0.483 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000842035769 671977957 /nfs/dbraw/zinc/97/79/57/671977957.db2.gz ISHWBAHSJTXJAB-AWEZNQCLSA-N 1 0 304.394 0.222 20 10 DCCDRO CC[N@H+](CCNC(=O)C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000842185664 671991085 /nfs/dbraw/zinc/99/10/85/671991085.db2.gz LGTHQEBEGDHOFA-UHFFFAOYSA-N 1 0 318.421 0.528 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842203553 671993876 /nfs/dbraw/zinc/99/38/76/671993876.db2.gz UNWQOBWBXTWMSW-LBPRGKRZSA-N 1 0 304.394 0.362 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842202187 671994243 /nfs/dbraw/zinc/99/42/43/671994243.db2.gz FFTYRICMTPBBEP-GFCCVEGCSA-N 1 0 306.410 0.608 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[NH2+]C ZINC000842230895 671998133 /nfs/dbraw/zinc/99/81/33/671998133.db2.gz BRMHWYFVECKCAQ-UHFFFAOYSA-N 1 0 307.394 0.857 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000842234384 671998854 /nfs/dbraw/zinc/99/88/54/671998854.db2.gz FOESDRCUFAZSMG-UHFFFAOYSA-N 1 0 304.394 0.189 20 10 DCCDRO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842254070 672000768 /nfs/dbraw/zinc/00/07/68/672000768.db2.gz RFWKOPNLVNPKHH-GFCCVEGCSA-N 1 0 306.410 0.565 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccnn2C)cc1 ZINC000842784146 672036810 /nfs/dbraw/zinc/03/68/10/672036810.db2.gz GXJIEMWXBPOBTE-CYBMUJFWSA-N 1 0 323.422 0.464 20 10 DCCDRO CCN(C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784363 672036971 /nfs/dbraw/zinc/03/69/71/672036971.db2.gz INSAXDRFBIXRLP-CYBMUJFWSA-N 1 0 300.428 0.539 20 10 DCCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)CO)CC2)cc1 ZINC000843059389 672057146 /nfs/dbraw/zinc/05/71/46/672057146.db2.gz HMRBAFUHFHQZSY-ZBFHGGJFSA-N 1 0 323.437 0.149 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000843065145 672057726 /nfs/dbraw/zinc/05/77/26/672057726.db2.gz JMCWRWPUGOZGHL-CQSZACIVSA-N 1 0 319.405 0.797 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)CCOC2C[NH2+]C2)cc1 ZINC000846697658 672338513 /nfs/dbraw/zinc/33/85/13/672338513.db2.gz UAAUYWGIDPMAEI-UHFFFAOYSA-N 1 0 321.421 0.968 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CCCO)C2)cc(OC)n1 ZINC001015100611 692191823 /nfs/dbraw/zinc/19/18/23/692191823.db2.gz CMAZYDTWOKEEAT-GFCCVEGCSA-N 1 0 309.366 0.285 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1O ZINC001138337609 1159060489 /nfs/dbraw/zinc/06/04/89/1159060489.db2.gz BQCJGIUYOGVTFM-HOCLYGCPSA-N 1 0 318.417 0.876 20 10 DCCDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001567662656 1160450832 /nfs/dbraw/zinc/45/08/32/1160450832.db2.gz LZHCWHXWPIDKRX-GFCCVEGCSA-N 1 0 322.405 0.944 20 10 DCCDRO COC(=O)[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@H+](C)C1 ZINC001578798318 1165117292 /nfs/dbraw/zinc/11/72/92/1165117292.db2.gz YLGOHTSOUMWOFR-LLVKDONJSA-N 1 0 306.366 0.837 20 10 DCCDRO [NH3+][C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001580429916 1165601416 /nfs/dbraw/zinc/60/14/16/1165601416.db2.gz AYWDSTJMPAUJIF-HDJSIYSDSA-N 1 0 318.421 0.937 20 10 DCCDRO COc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)c(O)c1OC ZINC001659110631 1173930366 /nfs/dbraw/zinc/93/03/66/1173930366.db2.gz CUWGHXRFZWBNMW-YPMHNXCESA-N 1 0 311.378 0.832 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CNC(=O)C(N)=O)C(C)C)cc1C ZINC001715501660 1181830745 /nfs/dbraw/zinc/83/07/45/1181830745.db2.gz AOEROIWINXHVCS-CYBMUJFWSA-N 1 0 307.394 0.719 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1C ZINC001055024729 756713077 /nfs/dbraw/zinc/71/30/77/756713077.db2.gz ALHJZMCBZMIOME-DGCLKSJQSA-N 1 0 305.378 0.425 20 10 DCCDRO Oc1ccc(CNc2ccnc(N3CC[NH2+]CC3)n2)cc1O ZINC001169993126 761367361 /nfs/dbraw/zinc/36/73/61/761367361.db2.gz GRSZVXBPUGMJGF-UHFFFAOYSA-N 1 0 301.350 0.910 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)cc1C ZINC001132386521 764420776 /nfs/dbraw/zinc/42/07/76/764420776.db2.gz JENIBFNSZXNQFG-CYBMUJFWSA-N 1 0 320.393 0.233 20 10 DCCDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O)cc(OC)n1 ZINC001134871886 765719742 /nfs/dbraw/zinc/71/97/42/765719742.db2.gz GTKXZUHNFRXYEL-NXEZZACHSA-N 1 0 324.381 0.071 20 10 DCCDRO C[N@H+](CC(=O)N1CCC(C(N)=O)CC1)Cc1ccccc1O ZINC001116347072 765863596 /nfs/dbraw/zinc/86/35/96/765863596.db2.gz WVYTXEGMSUKDOD-UHFFFAOYSA-N 1 0 305.378 0.548 20 10 DCCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC001170994195 766377522 /nfs/dbraw/zinc/37/75/22/766377522.db2.gz MIMRQUGWFCIAOZ-SNVBAGLBSA-N 1 0 307.350 0.734 20 10 DCCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001146782360 767522789 /nfs/dbraw/zinc/52/27/89/767522789.db2.gz NOZAUFLQRZCUPR-UHFFFAOYSA-N 1 0 323.393 0.119 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC001140098518 768512360 /nfs/dbraw/zinc/51/23/60/768512360.db2.gz CSXZXYIOXPSPOU-PELKAZGASA-N 1 0 302.168 0.940 20 10 DCCDRO O[C@@H]1COCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660044 768538179 /nfs/dbraw/zinc/53/81/79/768538179.db2.gz DEMDESKVXBITHX-HNNXBMFYSA-N 1 0 310.369 0.855 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2c(O)cc(OC)cc2OC)C[C@@H]1[NH3+] ZINC001236347257 770001322 /nfs/dbraw/zinc/00/13/22/770001322.db2.gz KTIOCKSXOUBJLY-JQWIXIFHSA-N 1 0 310.350 0.342 20 10 DCCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202703 770034824 /nfs/dbraw/zinc/03/48/24/770034824.db2.gz JULMUUNVKVLCRZ-CZUORRHYSA-N 1 0 324.446 0.877 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c(OC)c1 ZINC001237670225 770072444 /nfs/dbraw/zinc/07/24/44/770072444.db2.gz QWBJZSPVBSKNOO-HOCLYGCPSA-N 1 0 311.378 0.975 20 10 DCCDRO CCN(C(=O)CN1C(=O)CSC1=S)[C@@H]1CCC[NH2+]C1 ZINC001161331724 772206016 /nfs/dbraw/zinc/20/60/16/772206016.db2.gz GSLONVGOURXIHD-SECBINFHSA-N 1 0 301.437 0.447 20 10 DCCDRO COc1cc(CN2CC[NH+](CC(C)(C)O)CC2)cc(O)c1O ZINC001204349847 772946514 /nfs/dbraw/zinc/94/65/14/772946514.db2.gz CLQYHHVJICYWRF-UHFFFAOYSA-N 1 0 310.394 0.995 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1 ZINC001270037293 940820717 /nfs/dbraw/zinc/82/07/17/940820717.db2.gz JBMSNBNKBJDPMS-BETUJISGSA-N 1 0 305.378 0.558 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]n2)cc1C ZINC001486012139 944475397 /nfs/dbraw/zinc/47/53/97/944475397.db2.gz SZZGSKRTUYACFU-GFCCVEGCSA-N 1 0 319.365 0.002 20 10 DCCDRO Nc1ccc(CC[NH2+][C@@H]2CN[C@H](C(=O)N3CCSC3)C2)cc1 ZINC001246467614 945414008 /nfs/dbraw/zinc/41/40/08/945414008.db2.gz UVGZPWNZDIUYPG-GJZGRUSLSA-N 1 0 320.462 0.664 20 10 DCCDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1Cc2cccc(O)c2C1 ZINC001261875737 947470425 /nfs/dbraw/zinc/47/04/25/947470425.db2.gz PPZOIDRBCKBQFX-MFKMUULPSA-N 1 0 301.346 0.055 20 10 DCCDRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001262552379 947725177 /nfs/dbraw/zinc/72/51/77/947725177.db2.gz VFNXXWVBIDARSS-CYBMUJFWSA-N 1 0 303.362 0.349 20 10 DCCDRO C[NH2+][C@H](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001325355083 947764908 /nfs/dbraw/zinc/76/49/08/947764908.db2.gz HCBPGLUXUXRXBM-CYBMUJFWSA-N 1 0 320.437 0.791 20 10 DCCDRO C[NH2+][C@H](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001325393698 947778627 /nfs/dbraw/zinc/77/86/27/947778627.db2.gz NOJABRXAJPTQKK-GFCCVEGCSA-N 1 0 306.410 0.483 20 10 DCCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1=O ZINC001273672038 948017166 /nfs/dbraw/zinc/01/71/66/948017166.db2.gz WQIDACHKNLXGNS-MRXNPFEDSA-N 1 0 320.345 0.774 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)NCCCC[NH3+])ccc21 ZINC001328747870 949067562 /nfs/dbraw/zinc/06/75/62/949067562.db2.gz YIGBLUPIIILQAI-UHFFFAOYSA-N 1 0 318.421 0.540 20 10 DCCDRO CC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1[NH3+] ZINC001329503250 949647886 /nfs/dbraw/zinc/64/78/86/949647886.db2.gz AGOVVBJNTHFMMY-BXUZGUMPSA-N 1 0 317.389 0.820 20 10 DCCDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332128654 951492112 /nfs/dbraw/zinc/49/21/12/951492112.db2.gz RWLRTURNZYSZQP-RYUDHWBXSA-N 1 0 317.389 0.820 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001332135733 951494686 /nfs/dbraw/zinc/49/46/86/951494686.db2.gz KIDPKFCKMRBWFU-KGLIPLIRSA-N 1 0 317.389 0.704 20 10 DCCDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001333426608 952054722 /nfs/dbraw/zinc/05/47/22/952054722.db2.gz SKOHQBJDQKGGGB-ZYHUDNBSSA-N 1 0 303.362 0.478 20 10 DCCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001335391817 952530449 /nfs/dbraw/zinc/53/04/49/952530449.db2.gz KWQAPVMWPKNAAL-CQSZACIVSA-N 1 0 319.405 0.807 20 10 DCCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001343353307 953339822 /nfs/dbraw/zinc/33/98/22/953339822.db2.gz CHUYDIOOWNMLAN-BBRMVZONSA-N 1 0 321.421 0.560 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)C[C@H](O)C[NH3+])CC2)cc1 ZINC001343394338 953343555 /nfs/dbraw/zinc/34/35/55/953343555.db2.gz LXSNVGGQOMSUET-AWEZNQCLSA-N 1 0 307.394 0.444 20 10 DCCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347782849 954164274 /nfs/dbraw/zinc/16/42/74/954164274.db2.gz UBIJLYPKMAHWDA-GFCCVEGCSA-N 1 0 308.401 0.931 20 10 DCCDRO CCOc1ccc(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)cc1 ZINC001348110939 954202613 /nfs/dbraw/zinc/20/26/13/954202613.db2.gz PLEYJZVULHAJMK-UHFFFAOYSA-N 1 0 315.381 0.761 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCO2)cc1C ZINC001283733180 954563038 /nfs/dbraw/zinc/56/30/38/954563038.db2.gz KQOQDAIPLABJEP-GDBMZVCRSA-N 1 0 322.405 0.749 20 10 DCCDRO C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001350024859 954965073 /nfs/dbraw/zinc/96/50/73/954965073.db2.gz BDAGDFWQIXZOMD-OBJOEFQTSA-N 1 0 318.421 0.783 20 10 DCCDRO C[C@H]1C[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC001350042021 954970514 /nfs/dbraw/zinc/97/05/14/954970514.db2.gz OIQIKIXMYGTXNR-CMPLNLGQSA-N 1 0 303.362 0.491 20 10 DCCDRO [NH3+]C[C@@H](O)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001353494938 956082535 /nfs/dbraw/zinc/08/25/35/956082535.db2.gz JYIJNXFPJKQXLV-INIZCTEOSA-N 1 0 321.421 0.221 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@H]3C(=O)[O-])cc2)CC1 ZINC001353916790 956229130 /nfs/dbraw/zinc/22/91/30/956229130.db2.gz YQURIXFTWVSYGD-CVEARBPZSA-N 1 0 319.405 0.770 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[NH2+]CCN1C ZINC001521495743 1017387966 /nfs/dbraw/zinc/38/79/66/1017387966.db2.gz JPPAIIIQIPEHRY-AWEZNQCLSA-N 1 0 304.394 0.382 20 10 DCCDRO CC[C@H](CNC(=O)CC(N)=O)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494954197 1018176160 /nfs/dbraw/zinc/17/61/60/1018176160.db2.gz SMOYACDXAOOJPK-CYBMUJFWSA-N 1 0 307.394 0.863 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000362240952 530023639 /nfs/dbraw/zinc/02/36/39/530023639.db2.gz XCJCWVZIRYGZOQ-CYBMUJFWSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CO)CC2)cc1 ZINC000136171956 395945079 /nfs/dbraw/zinc/94/50/79/395945079.db2.gz JYEYKRZBEOAPLO-UHFFFAOYSA-N 1 0 307.394 0.316 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000279481900 396177678 /nfs/dbraw/zinc/17/76/78/396177678.db2.gz UAFFZRKXVFIBLZ-OAHLLOKOSA-N 1 0 305.334 0.575 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(O)COC2)[NH+](C)C)cc1 ZINC001648477727 1173075834 /nfs/dbraw/zinc/07/58/34/1173075834.db2.gz BDEQYMASEVHNKN-CQSZACIVSA-N 1 0 307.394 0.233 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419704628 416405230 /nfs/dbraw/zinc/40/52/30/416405230.db2.gz HEIVWBNIHNLOIE-UHFFFAOYSA-N 1 0 316.405 0.829 20 10 DCCDRO CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637952920 417251649 /nfs/dbraw/zinc/25/16/49/417251649.db2.gz MIRBJMYMGSOWGR-GFCCVEGCSA-N 1 0 321.402 0.531 20 10 DCCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(N2CCOCC2)nc1 ZINC000638293832 417412112 /nfs/dbraw/zinc/41/21/12/417412112.db2.gz LRKGMOZJPPJFMT-CYBMUJFWSA-N 1 0 302.378 0.929 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)COC1(C)C[NH2+]C1 ZINC000649347599 418245418 /nfs/dbraw/zinc/24/54/18/418245418.db2.gz HNPQSWDGBXBPRG-UHFFFAOYSA-N 1 0 305.378 0.857 20 10 DCCDRO COc1cccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1O ZINC000266863519 525987230 /nfs/dbraw/zinc/98/72/30/525987230.db2.gz SPPBUOHTPQSBIS-ZDUSSCGKSA-N 1 0 322.409 0.446 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)O)cc2F)CC1 ZINC000276409273 529153197 /nfs/dbraw/zinc/15/31/97/529153197.db2.gz UKAGKCJDJUYPSC-LBPRGKRZSA-N 1 0 309.385 0.965 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1OC ZINC000160413861 657992355 /nfs/dbraw/zinc/99/23/55/657992355.db2.gz NEZRIZGWHCOTSD-LRDDRELGSA-N 1 0 308.378 0.924 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C(N)=O)C2)cc1C ZINC001024129255 658455344 /nfs/dbraw/zinc/45/53/44/658455344.db2.gz NZJQRSWILCGIJL-CQSZACIVSA-N 1 0 319.405 0.817 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)cc1C ZINC001027034186 659724382 /nfs/dbraw/zinc/72/43/82/659724382.db2.gz XOYHRPKXAZJLEQ-ZDUSSCGKSA-N 1 0 305.378 0.427 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)C(F)(F)F)cc1 ZINC000841846796 661659466 /nfs/dbraw/zinc/65/94/66/661659466.db2.gz VLIAAKQHMNIIKZ-GHMZBOCLSA-N 1 0 304.316 0.758 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000894532598 661979270 /nfs/dbraw/zinc/97/92/70/661979270.db2.gz IKLBXFHDHRWCSW-LLVKDONJSA-N 1 0 300.380 0.572 20 10 DCCDRO O=C(NCCc1ccc(O)c(O)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897069273 662388468 /nfs/dbraw/zinc/38/84/68/662388468.db2.gz UPWCVTHFVRLIPH-ZDUSSCGKSA-N 1 0 306.362 0.477 20 10 DCCDRO C[NH+](C)CCN1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O ZINC000928705514 662477477 /nfs/dbraw/zinc/47/74/77/662477477.db2.gz KREPHWVTXWMCEX-LLVKDONJSA-N 1 0 323.368 0.558 20 10 DCCDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000898356837 662950973 /nfs/dbraw/zinc/95/09/73/662950973.db2.gz UZRTUXKGRJPMSR-JSGCOSHPSA-N 1 0 324.377 0.940 20 10 DCCDRO COC[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000903883186 663492618 /nfs/dbraw/zinc/49/26/18/663492618.db2.gz VCQGSDHUJDQDNV-QGZVFWFLSA-N 1 0 305.422 0.943 20 10 DCCDRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904388850 663511373 /nfs/dbraw/zinc/51/13/73/663511373.db2.gz PHDWNKKHFQTGEK-OAHLLOKOSA-N 1 0 324.446 0.878 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000910994682 663967032 /nfs/dbraw/zinc/96/70/32/663967032.db2.gz XGLFCWXUIUWPHC-AWEZNQCLSA-N 1 0 318.421 0.483 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC000910994134 663967196 /nfs/dbraw/zinc/96/71/96/663967196.db2.gz WFLHCQWOOZSKAO-CQSZACIVSA-N 1 0 318.421 0.566 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H](N)C(F)F)cc1 ZINC000911667976 664097077 /nfs/dbraw/zinc/09/70/77/664097077.db2.gz VVGQBJGABZENNF-NWDGAFQWSA-N 1 0 300.353 0.851 20 10 DCCDRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(N2CCOCC2)cc1 ZINC000165186335 664404759 /nfs/dbraw/zinc/40/47/59/664404759.db2.gz HFJHQIBJSWNTEB-MRXNPFEDSA-N 1 0 319.405 0.518 20 10 DCCDRO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccccc1O ZINC000922492133 666468583 /nfs/dbraw/zinc/46/85/83/666468583.db2.gz IMQRGBLSBDLDDJ-UHFFFAOYSA-N 1 0 306.409 0.539 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000861765875 666975678 /nfs/dbraw/zinc/97/56/78/666975678.db2.gz IWVZAOUHZGRYFL-UHFFFAOYSA-N 1 0 320.437 0.956 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000863753305 667175419 /nfs/dbraw/zinc/17/54/19/667175419.db2.gz QZWNPKXOMXFPIO-UHFFFAOYSA-N 1 0 306.410 0.518 20 10 DCCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000865686255 667338843 /nfs/dbraw/zinc/33/88/43/667338843.db2.gz JKKRCZYOSGEAFX-RYUDHWBXSA-N 1 0 307.394 0.908 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000866678726 667387064 /nfs/dbraw/zinc/38/70/64/667387064.db2.gz WUSMCQIYSHITNN-HOCLYGCPSA-N 1 0 302.422 0.757 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000884194963 667495062 /nfs/dbraw/zinc/49/50/62/667495062.db2.gz XGVPKPUWSHFLDA-AWEZNQCLSA-N 1 0 309.435 0.830 20 10 DCCDRO OC[C@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000757979667 668152572 /nfs/dbraw/zinc/15/25/72/668152572.db2.gz RVFRSZBFHITCSQ-MRXNPFEDSA-N 1 0 310.369 0.903 20 10 DCCDRO C[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000925079623 668271792 /nfs/dbraw/zinc/27/17/92/668271792.db2.gz MBNPJAZTORJJQM-LBPRGKRZSA-N 1 0 302.378 0.879 20 10 DCCDRO CN1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000876994332 668548921 /nfs/dbraw/zinc/54/89/21/668548921.db2.gz HEGXIWSZGGOVOI-CQSZACIVSA-N 1 0 303.406 0.968 20 10 DCCDRO CCOCC[NH+]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768446431 668609110 /nfs/dbraw/zinc/60/91/10/668609110.db2.gz KEJBXJQIKIZLLK-INIZCTEOSA-N 1 0 322.405 0.972 20 10 DCCDRO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877489853 668623593 /nfs/dbraw/zinc/62/35/93/668623593.db2.gz WZJMQMZRDSSREC-UHFFFAOYSA-N 1 0 313.423 0.719 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000877669014 668638591 /nfs/dbraw/zinc/63/85/91/668638591.db2.gz SWJIANHXUYKWLL-IYBDPMFKSA-N 1 0 304.346 0.885 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2C(=O)CNC2=O)c1 ZINC000775370479 668861303 /nfs/dbraw/zinc/86/13/03/668861303.db2.gz GOUSYOAHCGDNLT-JTQLQIEISA-N 1 0 307.350 0.993 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[C@]2(O)CCOC2)c1 ZINC000930217523 668978701 /nfs/dbraw/zinc/97/87/01/668978701.db2.gz XFAZPNNCOKPCMJ-HWWQOWPSSA-N 1 0 311.378 0.954 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)N3CCC3)cc2)CC1 ZINC000882662190 669563097 /nfs/dbraw/zinc/56/30/97/669563097.db2.gz BTWIUKFVAMLCPL-UHFFFAOYSA-N 1 0 324.450 0.479 20 10 DCCDRO CN(CC[NH2+]Cc1cc2c(cc1O)OCO2)CCOCCO ZINC000883351147 669674591 /nfs/dbraw/zinc/67/45/91/669674591.db2.gz YNQYOOMFIVXGCZ-UHFFFAOYSA-N 1 0 312.366 0.151 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCNC2=O)cc1 ZINC000884010179 669811022 /nfs/dbraw/zinc/81/10/22/669811022.db2.gz URYMGLIEPAVAFY-GXTWGEPZSA-N 1 0 304.394 0.395 20 10 DCCDRO COc1c(O)c(C[NH2+][C@@H](C)C(=O)NCCF)ccc1[N+](=O)[O-] ZINC000800530882 670093699 /nfs/dbraw/zinc/09/36/99/670093699.db2.gz XGZLJKPEPKKYHZ-QMMMGPOBSA-N 1 0 315.301 0.873 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC[NH2+]C ZINC000817949051 670955492 /nfs/dbraw/zinc/95/54/92/670955492.db2.gz GRVDJFNQSSBMKR-UHFFFAOYSA-N 1 0 307.394 0.809 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000851668355 671009451 /nfs/dbraw/zinc/00/94/51/671009451.db2.gz RPDQVWSAFYJMEB-FWYOQMDTSA-N 1 0 316.405 0.791 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccc(N(C)C)cc1 ZINC000851686116 671013795 /nfs/dbraw/zinc/01/37/95/671013795.db2.gz JEJLHCLBUFHQIV-GFCCVEGCSA-N 1 0 306.410 0.737 20 10 DCCDRO C[C@@H](NNC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ncnn1C ZINC000852791829 671160815 /nfs/dbraw/zinc/16/08/15/671160815.db2.gz NEUKSZFURBYMCM-RISCZKNCSA-N 1 0 303.414 0.736 20 10 DCCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000825016342 671446977 /nfs/dbraw/zinc/44/69/77/671446977.db2.gz BDDWZVBBSWXRTE-HZPDHXFCSA-N 1 0 310.369 0.854 20 10 DCCDRO C[NH2+]CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469514 671528861 /nfs/dbraw/zinc/52/88/61/671528861.db2.gz ZWAJKPCBJBQGLP-ZDUSSCGKSA-N 1 0 304.394 0.224 20 10 DCCDRO COc1ccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c(O)c1 ZINC000832178425 671707696 /nfs/dbraw/zinc/70/76/96/671707696.db2.gz RDQDJAVNIVVIQO-YHWZYXNKSA-N 1 0 318.373 0.832 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccn(C)c2=O)cc1 ZINC000832272598 671712915 /nfs/dbraw/zinc/71/29/15/671712915.db2.gz HMVMYKNYHIPNHB-OAHLLOKOSA-N 1 0 314.389 0.881 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000841654001 671946978 /nfs/dbraw/zinc/94/69/78/671946978.db2.gz LJLLPHQHRAGQDA-HNNXBMFYSA-N 1 0 305.426 0.537 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1F ZINC000841761224 671953044 /nfs/dbraw/zinc/95/30/44/671953044.db2.gz OCPKEJAIULFMAH-ZDUSSCGKSA-N 1 0 323.416 0.676 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000841825190 671957837 /nfs/dbraw/zinc/95/78/37/671957837.db2.gz YLDLETWUHDNGFN-OAHLLOKOSA-N 1 0 306.410 0.930 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000841892337 671963620 /nfs/dbraw/zinc/96/36/20/671963620.db2.gz GULYXCGSLGMTIG-LBPRGKRZSA-N 1 0 322.361 0.654 20 10 DCCDRO CC1(C)CN(C(=O)NCCc2ccc(N)cc2)CC[N@@H+]1CCO ZINC000841960142 671969000 /nfs/dbraw/zinc/96/90/00/671969000.db2.gz VRQIXDAFEVLGAJ-UHFFFAOYSA-N 1 0 320.437 0.909 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000842035368 671977699 /nfs/dbraw/zinc/97/76/99/671977699.db2.gz GHNOIFRYYZHPAM-UHFFFAOYSA-N 1 0 304.394 0.237 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000842037366 671977982 /nfs/dbraw/zinc/97/79/82/671977982.db2.gz ZXVJZOYDZPDSPY-BXUZGUMPSA-N 1 0 304.394 0.174 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000842074133 671980967 /nfs/dbraw/zinc/98/09/67/671980967.db2.gz ZDKRMSXASDSCIW-OLZOCXBDSA-N 1 0 320.437 0.572 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc1F ZINC000842147084 671985403 /nfs/dbraw/zinc/98/54/03/671985403.db2.gz AHYSGVIQRJDOPR-UHFFFAOYSA-N 1 0 322.384 0.506 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842201763 671993461 /nfs/dbraw/zinc/99/34/61/671993461.db2.gz BMOOLRHGHOGKEE-WCQYABFASA-N 1 0 304.394 0.408 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202903 671994244 /nfs/dbraw/zinc/99/42/44/671994244.db2.gz MGWJRPJTUZYBDI-OLZOCXBDSA-N 1 0 318.421 0.737 20 10 DCCDRO CC[NH+](CC)CCNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842212929 671995657 /nfs/dbraw/zinc/99/56/57/671995657.db2.gz FDTNDRQLKFDNHW-UHFFFAOYSA-N 1 0 306.410 0.386 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000842233446 671998296 /nfs/dbraw/zinc/99/82/96/671998296.db2.gz VLTAWSCSIPRFBY-CQSZACIVSA-N 1 0 319.405 0.999 20 10 DCCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000843260577 672076329 /nfs/dbraw/zinc/07/63/29/672076329.db2.gz FTTPVJLJRPSQQT-OLZOCXBDSA-N 1 0 320.437 0.953 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CCO[C@H](C[NH3+])C2)cc1 ZINC000844223060 672165329 /nfs/dbraw/zinc/16/53/29/672165329.db2.gz QETWRWKFNKLQFO-OAHLLOKOSA-N 1 0 306.410 0.028 20 10 DCCDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1O ZINC000846171346 672299056 /nfs/dbraw/zinc/29/90/56/672299056.db2.gz RXMHXMBKFJFDBG-JTQLQIEISA-N 1 0 302.396 0.943 20 10 DCCDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000902618071 685457845 /nfs/dbraw/zinc/45/78/45/685457845.db2.gz ZLBAXYVCLRZGKS-YLVFBTJISA-N 1 0 318.373 0.905 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCCO)C2)cc(OC)n1 ZINC001015100616 692191812 /nfs/dbraw/zinc/19/18/12/692191812.db2.gz CMAZYDTWOKEEAT-LBPRGKRZSA-N 1 0 309.366 0.285 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC(N)=O)cc1C ZINC001714566705 1181420073 /nfs/dbraw/zinc/42/00/73/1181420073.db2.gz UKOUKFBFGGXVOM-LBPRGKRZSA-N 1 0 307.394 0.816 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(N)=O)cc1C ZINC001717402473 1182821672 /nfs/dbraw/zinc/82/16/72/1182821672.db2.gz GKIBYCNXLQAZTD-RYUDHWBXSA-N 1 0 307.394 0.862 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC2CC2)cc1 ZINC001717784681 1183000226 /nfs/dbraw/zinc/00/02/26/1183000226.db2.gz NXKPTFHPIHYZTB-ZDUSSCGKSA-N 1 0 319.365 0.939 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC2CC(C[NH2+]CCO)C2)cc1 ZINC001733959593 1186509345 /nfs/dbraw/zinc/50/93/45/1186509345.db2.gz FLYZDBMKABAXGZ-UHFFFAOYSA-N 1 0 319.365 0.939 20 10 DCCDRO CCOC(=O)[C@@H]1NC(=O)c2cc(N(C)C(C)(C)C[NH3+])ccc2O1 ZINC001170059304 761720737 /nfs/dbraw/zinc/72/07/37/761720737.db2.gz GABWZRGSQQVIQE-CQSZACIVSA-N 1 0 321.377 0.872 20 10 DCCDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)cc(O)cc2O)O1 ZINC001144509828 766964552 /nfs/dbraw/zinc/96/45/52/766964552.db2.gz LJCMNMDVEYKVRW-KCPJHIHWSA-N 1 0 322.361 0.623 20 10 DCCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CN2C(=O)CSC2=S)C1 ZINC001144848342 767064593 /nfs/dbraw/zinc/06/45/93/767064593.db2.gz MMFHUBOALQSWFK-JTQLQIEISA-N 1 0 315.464 0.695 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)C[C@@H](O)C[NH2+]3)C2)cc1 ZINC001122135264 767722840 /nfs/dbraw/zinc/72/28/40/767722840.db2.gz HREQNBINQLPWFX-DXCKQFNASA-N 1 0 319.405 0.503 20 10 DCCDRO COc1cc(CN2C[C@@H]3C[C@H]2C(=O)O3)cc(C[NH+](C)C)c1O ZINC001139258994 768464659 /nfs/dbraw/zinc/46/46/59/768464659.db2.gz DEJLJLLMXRGAOU-STQMWFEESA-N 1 0 306.362 0.962 20 10 DCCDRO CN1CCOc2cc(CN3CC(N4CC[NH+](C)CC4)C3)ccc21 ZINC001141146360 768569945 /nfs/dbraw/zinc/56/99/45/768569945.db2.gz UIYKXEGCHKHPKR-UHFFFAOYSA-N 1 0 316.449 0.947 20 10 DCCDRO COCC(=O)N[C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016130 769344126 /nfs/dbraw/zinc/34/41/26/769344126.db2.gz NMBXGMGOGKSYKH-LLVKDONJSA-N 1 0 310.350 0.530 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+][C@H]2CCNC2=O)cc1 ZINC001153048139 769704641 /nfs/dbraw/zinc/70/46/41/769704641.db2.gz UQSXNTHOQVBOCK-NSHDSACASA-N 1 0 318.337 0.057 20 10 DCCDRO COc1cc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c(OC)c1 ZINC001235059940 769755043 /nfs/dbraw/zinc/75/50/43/769755043.db2.gz DAABAGWJHJIRNK-MRXNPFEDSA-N 1 0 307.394 0.547 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(OC)c(OC)cc1O ZINC001236057623 769975232 /nfs/dbraw/zinc/97/52/32/769975232.db2.gz BPTFSZTXAHHIMM-NSHDSACASA-N 1 0 310.350 0.356 20 10 DCCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(OC)cc(OC)c1O ZINC001236200888 769984600 /nfs/dbraw/zinc/98/46/00/769984600.db2.gz JLPGVNBRZUEKEK-JQWIXIFHSA-N 1 0 310.350 0.484 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@@H]1[NH3+] ZINC001236356766 770007139 /nfs/dbraw/zinc/00/71/39/770007139.db2.gz RQCZYZHSJUAHBH-QWRGUYRKSA-N 1 0 314.769 0.986 20 10 DCCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCN1C ZINC001236820285 770018738 /nfs/dbraw/zinc/01/87/38/770018738.db2.gz KBMGAKDAGOOTDH-CQSZACIVSA-N 1 0 308.378 0.998 20 10 DCCDRO COc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c(O)c1 ZINC001155574892 770552045 /nfs/dbraw/zinc/55/20/45/770552045.db2.gz QKYHEHNZEMTAHT-ZIAGYGMSSA-N 1 0 308.378 0.862 20 10 DCCDRO Oc1ccc(CNc2ccc(N3CC[NH2+]CC3)nn2)cc1O ZINC001158994375 771844332 /nfs/dbraw/zinc/84/43/32/771844332.db2.gz KYMZNOVKMZWLPN-UHFFFAOYSA-N 1 0 301.350 0.910 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001161380100 772214299 /nfs/dbraw/zinc/21/42/99/772214299.db2.gz JIDBKOMJJWGZNA-MRXNPFEDSA-N 1 0 302.422 0.835 20 10 DCCDRO O=C(c1c(F)ccc(O)c1O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001161883450 772294661 /nfs/dbraw/zinc/29/46/61/772294661.db2.gz BXIZJYNIUBIYKB-RYUDHWBXSA-N 1 0 324.352 0.908 20 10 DCCDRO CCOC(=O)[C@@H]1NC(=O)c2cc(N3CC[C@H]([NH3+])C3)ccc2O1 ZINC001164281698 772636133 /nfs/dbraw/zinc/63/61/33/772636133.db2.gz KTQBMKRQVGAXGR-LKFCYVNXSA-N 1 0 305.334 0.235 20 10 DCCDRO COC(=O)c1cc(N2CC[C@H]([NH3+])C2)c(NC(C)=O)cc1OC ZINC001164280804 772636137 /nfs/dbraw/zinc/63/61/37/772636137.db2.gz HSDIFHZSQOLEQK-JTQLQIEISA-N 1 0 307.350 0.978 20 10 DCCDRO CON(C)C(=O)[C@H]1CCc2cc(N3CC[C@H]([NH3+])C3)ccc2O1 ZINC001164287071 772636554 /nfs/dbraw/zinc/63/65/54/772636554.db2.gz AWRZTWNXTSZVGF-SWLSCSKDSA-N 1 0 305.378 0.937 20 10 DCCDRO COCCN1C[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2C1=O ZINC001203876566 772927861 /nfs/dbraw/zinc/92/78/61/772927861.db2.gz FODUOJVKOYKPMT-STQMWFEESA-N 1 0 306.362 0.634 20 10 DCCDRO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCc3cccc(O)c3C2)O1 ZINC001209276965 773580656 /nfs/dbraw/zinc/58/06/56/773580656.db2.gz IJWPVTKOVSWWNQ-OWCLPIDISA-N 1 0 323.389 0.624 20 10 DCCDRO CNC(=O)C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317665870 945153842 /nfs/dbraw/zinc/15/38/42/945153842.db2.gz RWOVCPMLNVLQFV-UHFFFAOYSA-N 1 0 320.353 0.257 20 10 DCCDRO NC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@H]2CCCO[C@H]21 ZINC001277192970 944699462 /nfs/dbraw/zinc/69/94/62/944699462.db2.gz WEUZCGPSMAPREV-OSAQELSMSA-N 1 0 306.362 0.810 20 10 DCCDRO C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1Cc1cc(O)ccc1O ZINC001277658031 944930953 /nfs/dbraw/zinc/93/09/53/944930953.db2.gz WPKSUBYCGBHWOO-SECBINFHSA-N 1 0 317.349 0.235 20 10 DCCDRO Cc1ccc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)c(O)c1O ZINC001262173045 947593325 /nfs/dbraw/zinc/59/33/25/947593325.db2.gz RLXLJDBNSAEWSW-UHFFFAOYSA-N 1 0 305.378 0.478 20 10 DCCDRO Nc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC001262603382 947739255 /nfs/dbraw/zinc/73/92/55/947739255.db2.gz GTSVTVKDTAKCOV-HNNXBMFYSA-N 1 0 306.410 0.915 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNc3n[nH]cc3C(N)=O)cc2)CC1 ZINC001179681266 947894708 /nfs/dbraw/zinc/89/47/08/947894708.db2.gz IWUMKELWCKHRIG-UHFFFAOYSA-N 1 0 314.393 0.873 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC001327487707 948527379 /nfs/dbraw/zinc/52/73/79/948527379.db2.gz ZBIGGJBPTJFBKW-UHFFFAOYSA-N 1 0 305.378 0.738 20 10 DCCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001330567823 950512635 /nfs/dbraw/zinc/51/26/35/950512635.db2.gz MIAJXVHMGLKTAX-WDEREUQCSA-N 1 0 303.362 0.430 20 10 DCCDRO O=C(NCC1CC[NH2+]CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331621088 951201016 /nfs/dbraw/zinc/20/10/16/951201016.db2.gz ZLLANFUHEFUMSU-UHFFFAOYSA-N 1 0 303.362 0.350 20 10 DCCDRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1O)C2 ZINC001275266938 952037412 /nfs/dbraw/zinc/03/74/12/952037412.db2.gz GRIYUJHRABJYOV-HIFRSBDPSA-N 1 0 303.406 0.987 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CC3(CN(CC(=O)N(C)C)C3)C2)c1 ZINC001275278966 952043568 /nfs/dbraw/zinc/04/35/68/952043568.db2.gz RZSNYKZHPQOGEE-UHFFFAOYSA-N 1 0 319.405 0.607 20 10 DCCDRO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001275821732 952479329 /nfs/dbraw/zinc/47/93/29/952479329.db2.gz YHBJPEGNRYFCEV-YOEHRIQHSA-N 1 0 321.421 0.544 20 10 DCCDRO COCCOCN1C[C@H]2C[C@@H](C1)N2Cc1ccc(O)cc1O ZINC001275952637 952556200 /nfs/dbraw/zinc/55/62/00/952556200.db2.gz JAKMCOIOOSBVEV-OKILXGFUSA-N 1 0 308.378 0.977 20 10 DCCDRO COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001336802134 952767305 /nfs/dbraw/zinc/76/73/05/952767305.db2.gz BHLHKPUAYWZGJI-ZBFHGGJFSA-N 1 0 324.421 0.887 20 10 DCCDRO [NH3+]CCN1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1=O ZINC001342538025 953294035 /nfs/dbraw/zinc/29/40/35/953294035.db2.gz VUQLCDGQVYWEMV-JTQLQIEISA-N 1 0 309.341 0.345 20 10 DCCDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001348714797 954441622 /nfs/dbraw/zinc/44/16/22/954441622.db2.gz PXMRZJMLIZWQSM-LLVKDONJSA-N 1 0 303.362 0.302 20 10 DCCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(OC)c(OC)cc1O ZINC001349319282 954706809 /nfs/dbraw/zinc/70/68/09/954706809.db2.gz NBDSHXFBLDEOBU-LBPRGKRZSA-N 1 0 324.377 0.746 20 10 DCCDRO CC(C)c1ccc(O)c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC001308581969 960181415 /nfs/dbraw/zinc/18/14/15/960181415.db2.gz LWCATSKWQDBPGP-AWEZNQCLSA-N 1 0 317.389 0.658 20 10 DCCDRO O=C1NC(=O)[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc(F)ccc2O)N1 ZINC001308752199 960184418 /nfs/dbraw/zinc/18/44/18/960184418.db2.gz YXWLMGSMVQEKKK-BMIGLBTASA-N 1 0 307.325 0.999 20 10 DCCDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001466683493 1016100823 /nfs/dbraw/zinc/10/08/23/1016100823.db2.gz SJWMNQATSUDGAM-CQSZACIVSA-N 1 0 305.338 0.645 20 10 DCCDRO CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001507569289 1016459274 /nfs/dbraw/zinc/45/92/74/1016459274.db2.gz SXHNGBWWTKACRX-LBPRGKRZSA-N 1 0 307.354 0.891 20 10 DCCDRO COc1cc(C)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c(O)c1 ZINC001560925187 1012459641 /nfs/dbraw/zinc/45/96/41/1012459641.db2.gz DXBSDHRKPJKLCA-GXTWGEPZSA-N 1 0 315.391 0.611 20 10 DCCDRO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000072916261 191252838 /nfs/dbraw/zinc/25/28/38/191252838.db2.gz CLUOPTVQGJRBHC-UHFFFAOYSA-N 1 0 315.329 0.773 20 10 DCCDRO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283787899 131023137 /nfs/dbraw/zinc/02/31/37/131023137.db2.gz UMVXBFRCXNVRLB-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO CS(=O)(=O)NCC[NH2+]Cc1cc(Br)ccc1O ZINC000008169533 395684167 /nfs/dbraw/zinc/68/41/67/395684167.db2.gz OHEWVJQGFTVUPL-UHFFFAOYSA-N 1 0 323.212 0.794 20 10 DCCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1 ZINC000093583954 395738758 /nfs/dbraw/zinc/73/87/58/395738758.db2.gz BPPUCQLOLRPHMZ-HNNXBMFYSA-N 1 0 324.421 0.916 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000074324597 396164703 /nfs/dbraw/zinc/16/47/03/396164703.db2.gz GNGATPXIZCUYHS-OAHLLOKOSA-N 1 0 319.405 0.410 20 10 DCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000343504629 415619130 /nfs/dbraw/zinc/61/91/30/415619130.db2.gz GLEGQRQDGLQBRG-GFCCVEGCSA-N 1 0 321.377 0.759 20 10 DCCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(OC)c1O ZINC000295123151 415882954 /nfs/dbraw/zinc/88/29/54/415882954.db2.gz WWMJWVFUCCBHOG-NSHDSACASA-N 1 0 302.396 0.818 20 10 DCCDRO C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[NH+](C)C ZINC000299272266 229020586 /nfs/dbraw/zinc/02/05/86/229020586.db2.gz VAUDBWCACMOAJI-SECBINFHSA-N 1 0 315.395 0.444 20 10 DCCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298448220 534067355 /nfs/dbraw/zinc/06/73/55/534067355.db2.gz HFPGMQAMPCAURS-WBMJQRKESA-N 1 0 318.421 0.483 20 10 DCCDRO COc1ccc(O)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000367052710 534201722 /nfs/dbraw/zinc/20/17/22/534201722.db2.gz MKUUZWKMFTWKNZ-AWEZNQCLSA-N 1 0 305.378 0.407 20 10 DCCDRO COc1cc(O)c(CN2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000188733528 522773060 /nfs/dbraw/zinc/77/30/60/522773060.db2.gz CNSSJIIPYUAYJE-GFCCVEGCSA-N 1 0 310.394 0.908 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000372734277 524742060 /nfs/dbraw/zinc/74/20/60/524742060.db2.gz BOSINSLYNGCWMB-LBPRGKRZSA-N 1 0 300.380 0.654 20 10 DCCDRO NC(=O)C1CCN(c2ccc(CN[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000925777267 660985653 /nfs/dbraw/zinc/98/56/53/660985653.db2.gz LJSCTNZGBKQIJD-OAHLLOKOSA-N 1 0 302.422 0.840 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H](O)C(C)(C)O)[NH+](C)C)cc1 ZINC000891246804 658078776 /nfs/dbraw/zinc/07/87/76/658078776.db2.gz PNBKIEAJRDCYSC-GJZGRUSLSA-N 1 0 323.437 0.603 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2COCCO2)[NH+](C)C)cc1 ZINC000891251630 658088505 /nfs/dbraw/zinc/08/85/05/658088505.db2.gz CMSKSLHTPMMLAD-JKSUJKDBSA-N 1 0 321.421 0.887 20 10 DCCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C(N)=O)C2)cc1C ZINC000999329289 665629884 /nfs/dbraw/zinc/62/98/84/665629884.db2.gz CIJJFRPLAJBLAS-UHFFFAOYSA-N 1 0 305.378 0.568 20 10 DCCDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892721489 659404332 /nfs/dbraw/zinc/40/43/32/659404332.db2.gz SCFAMMOZDMFLLQ-UHFFFAOYSA-N 1 0 318.395 0.438 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000841654771 659419306 /nfs/dbraw/zinc/41/93/06/659419306.db2.gz PIUKCSODBBSAFZ-UHFFFAOYSA-N 1 0 304.394 0.636 20 10 DCCDRO COC(=O)c1cn(CC[NH2+]Cc2cc(C)cc(OC)c2O)nn1 ZINC000894689790 661994379 /nfs/dbraw/zinc/99/43/79/661994379.db2.gz ISVNBOCGOZECLG-UHFFFAOYSA-N 1 0 320.349 0.877 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=S)NCC(N)=O)[NH+](C)C)cc1 ZINC000899725005 663181920 /nfs/dbraw/zinc/18/19/20/663181920.db2.gz RCZJJKGCWCCXMK-CYBMUJFWSA-N 1 0 323.466 0.305 20 10 DCCDRO Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(O)c1O ZINC000900810307 663283494 /nfs/dbraw/zinc/28/34/94/663283494.db2.gz GNDOBYWVDHMFFG-DGCLKSJQSA-N 1 0 307.394 0.770 20 10 DCCDRO CN(C)c1ccc([C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C)cc1 ZINC000905703324 663576222 /nfs/dbraw/zinc/57/62/22/663576222.db2.gz IHSYDUAXCIDHRE-OAHLLOKOSA-N 1 0 313.467 0.990 20 10 DCCDRO CN(C)c1ccc([C@H](C[NH2+]CCS(C)(=O)=O)N(C)C)cc1 ZINC000905703323 663576260 /nfs/dbraw/zinc/57/62/60/663576260.db2.gz IHSYDUAXCIDHRE-HNNXBMFYSA-N 1 0 313.467 0.990 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CC2)cc1 ZINC000911229674 664011858 /nfs/dbraw/zinc/01/18/58/664011858.db2.gz LRKIEZFHGAKVMM-UHFFFAOYSA-N 1 0 318.421 0.757 20 10 DCCDRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ncn1 ZINC000911667892 664097099 /nfs/dbraw/zinc/09/70/99/664097099.db2.gz SWSHHFVCWJEESE-ZDUSSCGKSA-N 1 0 315.377 0.981 20 10 DCCDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000322382664 664945628 /nfs/dbraw/zinc/94/56/28/664945628.db2.gz OMEJCDNWSHCKFI-INIZCTEOSA-N 1 0 320.437 0.811 20 10 DCCDRO C/C=C/[C@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918838596 665184986 /nfs/dbraw/zinc/18/49/86/665184986.db2.gz KBMKKCBGAXUMDK-CWDCEQMOSA-N 1 0 303.406 0.992 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cn3ccnc3)cc2)CC1 ZINC000918846632 665185951 /nfs/dbraw/zinc/18/59/51/665185951.db2.gz UCDHKLUPKOJVDS-UHFFFAOYSA-N 1 0 313.405 0.951 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC[NH+](C)CC1)cc2=O ZINC000132062153 666234519 /nfs/dbraw/zinc/23/45/19/666234519.db2.gz BLQNJSCSXBFRAF-UHFFFAOYSA-N 1 0 319.365 0.359 20 10 DCCDRO COc1cc(O)c(CN2CCO[C@H](CC(N)=O)C2)cc1OC ZINC000862535282 667047530 /nfs/dbraw/zinc/04/75/30/667047530.db2.gz HYMMQGZVNPOYFH-LLVKDONJSA-N 1 0 310.350 0.486 20 10 DCCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000863298576 667125905 /nfs/dbraw/zinc/12/59/05/667125905.db2.gz ZVCYJFMDCRYZOJ-XJKSGUPXSA-N 1 0 323.345 0.582 20 10 DCCDRO O=C1COC[C@@]2(C[NH2+][C@H]3CCc4cccc(O)c43)COCCN12 ZINC000866552891 667380880 /nfs/dbraw/zinc/38/08/80/667380880.db2.gz CTGVFCRNZLYNRW-SUMWQHHRSA-N 1 0 318.373 0.597 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)[C@H](C[NH3+])OC)CC2)cc1 ZINC000884197717 667495324 /nfs/dbraw/zinc/49/53/24/667495324.db2.gz CFLAAJKHRWADHN-HNNXBMFYSA-N 1 0 307.394 0.708 20 10 DCCDRO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000868235677 667545946 /nfs/dbraw/zinc/54/59/46/667545946.db2.gz DSFWWPXMQSBFQQ-CHWSQXEVSA-N 1 0 306.410 0.998 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C(=O)N[C@H](C)C2=O)c1 ZINC000838914018 667717506 /nfs/dbraw/zinc/71/75/06/667717506.db2.gz YGLXBYVELJWVLL-VHSXEESVSA-N 1 0 307.350 0.992 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)CCNC2=O)cc1 ZINC000876505941 668457319 /nfs/dbraw/zinc/45/73/19/668457319.db2.gz CXFBPOMEPUTPHZ-XJKSGUPXSA-N 1 0 304.394 0.395 20 10 DCCDRO CC[C@H](NC(C)=O)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506877 668457929 /nfs/dbraw/zinc/45/79/29/668457929.db2.gz PTOXQSFAOCYNRH-CABCVRRESA-N 1 0 306.410 0.783 20 10 DCCDRO CC[C@H](NC(C)=O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506878 668458062 /nfs/dbraw/zinc/45/80/62/668458062.db2.gz PTOXQSFAOCYNRH-GJZGRUSLSA-N 1 0 306.410 0.783 20 10 DCCDRO COC[C@@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)C[NH2+]CCO1 ZINC000876880035 668526635 /nfs/dbraw/zinc/52/66/35/668526635.db2.gz YJNGHQVDSRMWIP-BDJLRTHQSA-N 1 0 324.377 0.583 20 10 DCCDRO COC[C@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)C[NH2+]CCO1 ZINC000876880036 668526968 /nfs/dbraw/zinc/52/69/68/668526968.db2.gz YJNGHQVDSRMWIP-BZNIZROVSA-N 1 0 324.377 0.583 20 10 DCCDRO COC[C@]1(C(=O)NCc2ccc(OC)cc2O)C[NH2+]CCO1 ZINC000876910826 668533864 /nfs/dbraw/zinc/53/38/64/668533864.db2.gz NSHIEAQOPVFTTD-HNNXBMFYSA-N 1 0 310.350 0.022 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)[C@@H](C)O)CC2)c(OC)c1 ZINC000931531749 669218037 /nfs/dbraw/zinc/21/80/37/669218037.db2.gz HZIBSZQEDCOJAH-IUODEOHRSA-N 1 0 310.394 0.568 20 10 DCCDRO OCC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000112119304 670541206 /nfs/dbraw/zinc/54/12/06/670541206.db2.gz VTWZIUCXZDRUBN-UHFFFAOYSA-N 1 0 305.422 0.633 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000817917309 670952830 /nfs/dbraw/zinc/95/28/30/670952830.db2.gz AXAGGERRFFGHPH-CYBMUJFWSA-N 1 0 304.394 0.271 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000817992907 670959608 /nfs/dbraw/zinc/95/96/08/670959608.db2.gz SEXRJHJPJBSMJD-OAHLLOKOSA-N 1 0 318.421 0.661 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)c1nc(N)[nH+]c(N)n1 ZINC000858326968 670993237 /nfs/dbraw/zinc/99/32/37/670993237.db2.gz JBJDJXPIDLLTOP-UHFFFAOYSA-N 1 0 315.381 0.509 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851686968 671014462 /nfs/dbraw/zinc/01/44/62/671014462.db2.gz VSSHIABSHDTGNS-CYBMUJFWSA-N 1 0 318.421 0.627 20 10 DCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968552 671081425 /nfs/dbraw/zinc/08/14/25/671081425.db2.gz UNSPBOWWSQUAQJ-GOEBONIOSA-N 1 0 321.421 0.485 20 10 DCCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469101 671528759 /nfs/dbraw/zinc/52/87/59/671528759.db2.gz MHIDKSTYDOWVDA-GXTWGEPZSA-N 1 0 318.421 0.599 20 10 DCCDRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccccc1O ZINC000827937288 671540116 /nfs/dbraw/zinc/54/01/16/671540116.db2.gz QSTMEHISZJGHFA-CHWSQXEVSA-N 1 0 319.405 0.980 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000828666931 671558028 /nfs/dbraw/zinc/55/80/28/671558028.db2.gz KCOSJIAPWSQGFX-GXFFZTMASA-N 1 0 321.377 0.446 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)[NH3+])cc2)CC1 ZINC000832172833 671706749 /nfs/dbraw/zinc/70/67/49/671706749.db2.gz LKCRHRGLSADNTM-CYBMUJFWSA-N 1 0 318.421 0.709 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C(N)=O)o2)cc1 ZINC000832266721 671712767 /nfs/dbraw/zinc/71/27/67/671712767.db2.gz ICUFYINHRHMUPE-LBPRGKRZSA-N 1 0 316.361 0.874 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(=O)n(C)c2)cc1 ZINC000832300213 671713863 /nfs/dbraw/zinc/71/38/63/671713863.db2.gz OSKXQPGZHRUVKD-OAHLLOKOSA-N 1 0 314.389 0.881 20 10 DCCDRO COc1ccc(CNC(=O)NCC[N@@H+]2CCCOCC2)c(O)c1 ZINC000836473802 671825397 /nfs/dbraw/zinc/82/53/97/671825397.db2.gz QPAIZACOXQIBEL-UHFFFAOYSA-N 1 0 323.393 0.922 20 10 DCCDRO [NH3+]C/C=C/CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711844 671951419 /nfs/dbraw/zinc/95/14/19/671951419.db2.gz IMHIBJBAKDXLPB-OWOJBTEDSA-N 1 0 322.384 0.976 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842035176 671977537 /nfs/dbraw/zinc/97/75/37/671977537.db2.gz DRPXVUMTPQNTLG-KBPBESRZSA-N 1 0 318.421 0.755 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000842036639 671978216 /nfs/dbraw/zinc/97/82/16/671978216.db2.gz PWOJBQZCPFIBLV-ZDUSSCGKSA-N 1 0 304.394 0.319 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)CC[NH3+] ZINC000842072912 671980920 /nfs/dbraw/zinc/98/09/20/671980920.db2.gz QBUGFBNBIFWTKL-CYBMUJFWSA-N 1 0 320.437 0.525 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842148792 671986000 /nfs/dbraw/zinc/98/60/00/671986000.db2.gz PIOGJXUHLDYFEY-UHFFFAOYSA-N 1 0 310.373 0.186 20 10 DCCDRO CCC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842153196 671986472 /nfs/dbraw/zinc/98/64/72/671986472.db2.gz LNVBXPVHEPMWLV-UHFFFAOYSA-N 1 0 320.437 0.793 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000842153129 671986552 /nfs/dbraw/zinc/98/65/52/671986552.db2.gz KRAVANQENGAFDQ-UHFFFAOYSA-N 1 0 318.421 0.499 20 10 DCCDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000842202147 671993891 /nfs/dbraw/zinc/99/38/91/671993891.db2.gz DSWFGFWYYQASCN-JSGCOSHPSA-N 1 0 318.421 0.798 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842203478 671993937 /nfs/dbraw/zinc/99/39/37/671993937.db2.gz SAHONMXEEGPAAK-NWDGAFQWSA-N 1 0 306.410 0.735 20 10 DCCDRO C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000842204015 671994249 /nfs/dbraw/zinc/99/42/49/671994249.db2.gz ZVLRAOUYYOAVNC-XHDPSFHLSA-N 1 0 318.421 0.783 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000842207160 671994688 /nfs/dbraw/zinc/99/46/88/671994688.db2.gz LRVIVGYQXNZNJF-UHFFFAOYSA-N 1 0 304.394 0.237 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000842223250 671996290 /nfs/dbraw/zinc/99/62/90/671996290.db2.gz GGFNCEMLGFEZFU-AWEZNQCLSA-N 1 0 319.405 0.999 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(N)=O)CCC2)cc1 ZINC000843299866 672080575 /nfs/dbraw/zinc/08/05/75/672080575.db2.gz YQIPNEXKTNKPAU-CYBMUJFWSA-N 1 0 304.394 0.524 20 10 DCCDRO COC(=O)CCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350562 672085753 /nfs/dbraw/zinc/08/57/53/672085753.db2.gz PAARQPZSPNLVKG-UHFFFAOYSA-N 1 0 305.378 0.577 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846671937 672335288 /nfs/dbraw/zinc/33/52/88/672335288.db2.gz AUDHBBZMIGKKMW-YOEHRIQHSA-N 1 0 303.406 0.913 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C(N)=O)cc1C ZINC000960109410 688302015 /nfs/dbraw/zinc/30/20/15/688302015.db2.gz HWBQVLDEHQLCRA-AWEZNQCLSA-N 1 0 319.405 0.960 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCF)cc1 ZINC001571448656 1162763372 /nfs/dbraw/zinc/76/33/72/1162763372.db2.gz ZMDWQVXHRBWPDB-NSHDSACASA-N 1 0 311.317 0.499 20 10 DCCDRO C[NH+](C)C1CCN(CCNC(=O)c2cccc(O)c2O)CC1 ZINC001566213907 1159971358 /nfs/dbraw/zinc/97/13/58/1159971358.db2.gz NARIVFWQHRHENX-UHFFFAOYSA-N 1 0 307.394 0.854 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCC([NH3+])CC1 ZINC001576053446 1164225126 /nfs/dbraw/zinc/22/51/26/1164225126.db2.gz XVJUWBKBSHHQNY-NSHDSACASA-N 1 0 307.394 0.568 20 10 DCCDRO CNC(=O)[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)c2ccccc2O1 ZINC001578549745 1165056546 /nfs/dbraw/zinc/05/65/46/1165056546.db2.gz ZEJWAGUCOPOKPW-FZMZJTMJSA-N 1 0 301.346 0.574 20 10 DCCDRO NC(=O)C1CCN(c2ccc(CNC(=O)C3([NH3+])CC3)cc2)CC1 ZINC001580088856 1165499317 /nfs/dbraw/zinc/49/93/17/1165499317.db2.gz AVFQNJKTMAELRO-UHFFFAOYSA-N 1 0 316.405 0.496 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC([NH2+]CCO)CC1 ZINC001580493510 1165621661 /nfs/dbraw/zinc/62/16/61/1165621661.db2.gz GNZSUROFSRFQLZ-DUXPYHPUSA-N 1 0 306.362 0.684 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000037823754 1171443887 /nfs/dbraw/zinc/44/38/87/1171443887.db2.gz ROVASCNJAUCDLO-NSHDSACASA-N 1 0 300.380 0.113 20 10 DCCDRO COc1cc(O)c(C[NH2+][C@H]2CCc3nnnn3CC2)cc1OC ZINC001658375636 1173922574 /nfs/dbraw/zinc/92/25/74/1173922574.db2.gz XFAIVQFWOJUSGU-NSHDSACASA-N 1 0 319.365 0.891 20 10 DCCDRO C[N@H+](CCO)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001660414054 1173992437 /nfs/dbraw/zinc/99/24/37/1173992437.db2.gz PRYTWLCRDCRSHM-UHFFFAOYSA-N 1 0 307.354 0.893 20 10 DCCDRO CCC[NH2+][C@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001676615946 1175468665 /nfs/dbraw/zinc/46/86/65/1175468665.db2.gz YMEGPZGJMPZBEF-LBPRGKRZSA-N 1 0 307.354 0.939 20 10 DCCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001576610773 1164412404 /nfs/dbraw/zinc/41/24/04/1164412404.db2.gz FXXAJJUZTITYLE-DTWKUNHWSA-N 1 0 313.379 0.325 20 10 DCCDRO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253645 753139337 /nfs/dbraw/zinc/13/93/37/753139337.db2.gz KWEYWQFRJUWYRP-VXGBXAGGSA-N 1 0 305.338 0.644 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC(=O)N2)cc1C ZINC001148427940 767980253 /nfs/dbraw/zinc/98/02/53/767980253.db2.gz WISKMOIAUPUSLM-ZDUSSCGKSA-N 1 0 305.378 0.488 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2c[nH]c(=O)n2C)cc1C ZINC001132370254 764422965 /nfs/dbraw/zinc/42/29/65/764422965.db2.gz PHYHBNIPCXAUEJ-UHFFFAOYSA-N 1 0 318.377 0.962 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCN(C)C2=O)cc1C ZINC001132612900 764542298 /nfs/dbraw/zinc/54/22/98/764542298.db2.gz VKSCJEMNHRSQCD-CQSZACIVSA-N 1 0 319.405 0.688 20 10 DCCDRO CC[NH+](CC)CCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119058345 766521669 /nfs/dbraw/zinc/52/16/69/766521669.db2.gz OAICPEWIHVYVHZ-UHFFFAOYSA-N 1 0 305.378 0.692 20 10 DCCDRO Oc1cc(O)c(C[NH+]2CCN(c3cccnn3)CC2)c(O)c1 ZINC001144514682 766964869 /nfs/dbraw/zinc/96/48/69/766964869.db2.gz ORJSRALXCAMYMY-UHFFFAOYSA-N 1 0 302.334 0.916 20 10 DCCDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515882 766965581 /nfs/dbraw/zinc/96/55/81/766965581.db2.gz HWBXUTQZOLXXHH-NSHDSACASA-N 1 0 324.333 0.057 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC2)cc1 ZINC001121897801 767660557 /nfs/dbraw/zinc/66/05/57/767660557.db2.gz PBDNGWISFSJHAT-CQSZACIVSA-N 1 0 307.394 0.442 20 10 DCCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC001140283630 768523500 /nfs/dbraw/zinc/52/35/00/768523500.db2.gz ZBVHPWCWYYWGRI-CRAIPNDOSA-N 1 0 320.433 0.823 20 10 DCCDRO O=S1(=O)CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001236295131 769988620 /nfs/dbraw/zinc/98/86/20/769988620.db2.gz PSUCSDFVPQJVFX-GOEBONIOSA-N 1 0 321.446 0.325 20 10 DCCDRO COc1cc(CN2C[C@@H]([NH3+])[C@H](O)C2)c(O)cc1Br ZINC001205362953 772070603 /nfs/dbraw/zinc/07/06/03/772070603.db2.gz ABOMKQGMOLZKCT-MWLCHTKSSA-N 1 0 317.183 0.667 20 10 DCCDRO COC(=O)c1c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c2ccccc2n1C ZINC001206097695 773047930 /nfs/dbraw/zinc/04/79/30/773047930.db2.gz WNGJFQLIMFXEIF-UKRRQHHQSA-N 1 0 317.389 0.859 20 10 DCCDRO Nc1ccc(CC(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219838721 774624459 /nfs/dbraw/zinc/62/44/59/774624459.db2.gz UARZMBGEKRWCHL-RHSMWYFYSA-N 1 0 319.405 0.323 20 10 DCCDRO CCN(CC[NH2+]CCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268499138 940194934 /nfs/dbraw/zinc/19/49/34/940194934.db2.gz AOJWVZUVQDBWGU-UHFFFAOYSA-N 1 0 307.354 0.893 20 10 DCCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CN1 ZINC001246075537 945331874 /nfs/dbraw/zinc/33/18/74/945331874.db2.gz VLSSSOQLYDCMGQ-MJVIPROJSA-N 1 0 310.350 0.014 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cn2cncn2)cc1C ZINC001483290696 942242088 /nfs/dbraw/zinc/24/20/88/942242088.db2.gz ODICXGWBBFAYQS-ZDUSSCGKSA-N 1 0 317.393 0.890 20 10 DCCDRO O=C1CO[C@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1C1COC1 ZINC001272619329 942871697 /nfs/dbraw/zinc/87/16/97/942871697.db2.gz UJXXEBSDTSSYQV-KRWDZBQOSA-N 1 0 318.373 0.594 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)cc1OC ZINC001276789552 944300322 /nfs/dbraw/zinc/30/03/22/944300322.db2.gz KJTIYKFFGZDAOC-BETUJISGSA-N 1 0 308.378 0.924 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c1 ZINC001249193561 945625010 /nfs/dbraw/zinc/62/50/10/945625010.db2.gz RCZLZENRRHFMRK-KGLIPLIRSA-N 1 0 318.373 0.628 20 10 DCCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC001462390740 1013066959 /nfs/dbraw/zinc/06/69/59/1013066959.db2.gz WZNLAXDPHVFLGE-SNVBAGLBSA-N 1 0 309.322 0.877 20 10 DCCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+]CCc1ccc(O)c(O)c1 ZINC001256321681 946611437 /nfs/dbraw/zinc/61/14/37/946611437.db2.gz OIGPGLGNGPDEJM-GFCCVEGCSA-N 1 0 308.378 0.867 20 10 DCCDRO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(O)c1O ZINC001324587257 947465356 /nfs/dbraw/zinc/46/53/56/947465356.db2.gz RVSMTBPMGJSGPN-GFCCVEGCSA-N 1 0 308.378 0.983 20 10 DCCDRO CN1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)cc2F)CC1 ZINC001324751364 947522683 /nfs/dbraw/zinc/52/26/83/947522683.db2.gz LWXRTSZXMFIBPL-GASCZTMLSA-N 1 0 323.412 0.505 20 10 DCCDRO COC(=O)[C@H]1C[NH+](Cc2cc(F)ccc2O)C[C@@H]1C(=O)OC ZINC001262379236 947666266 /nfs/dbraw/zinc/66/62/66/947666266.db2.gz VJGTVPXDRLJZSA-RYUDHWBXSA-N 1 0 311.309 0.925 20 10 DCCDRO O=C(/C=C/c1ccc(O)c(O)c1)N(c1ncccn1)C1C[NH2+]C1 ZINC001179687456 947885799 /nfs/dbraw/zinc/88/57/99/947885799.db2.gz WAWUBIXGBNRHDN-HWKANZROSA-N 1 0 312.329 0.906 20 10 DCCDRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1C[NH3+] ZINC001326472909 948174859 /nfs/dbraw/zinc/17/48/59/948174859.db2.gz FKFOFYGMOUUJFC-TZMCWYRMSA-N 1 0 319.405 0.794 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001328989124 949264011 /nfs/dbraw/zinc/26/40/11/949264011.db2.gz LLNOKEAXJLXHQA-DYVFJYSZSA-N 1 0 317.389 0.690 20 10 DCCDRO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1Cc2cccc(O)c2C1 ZINC001329517075 949655890 /nfs/dbraw/zinc/65/58/90/949655890.db2.gz QFMUOGKAUZHKOM-KBPBESRZSA-N 1 0 315.373 0.587 20 10 DCCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1O ZINC001330534133 950490943 /nfs/dbraw/zinc/49/09/43/950490943.db2.gz VLFCWNSGHVMCRT-IAGOWNOFSA-N 1 0 323.412 0.769 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(C(=O)[O-])cc1O ZINC001276009139 952616784 /nfs/dbraw/zinc/61/67/84/952616784.db2.gz IOTPELDJUKCWSV-GASCZTMLSA-N 1 0 319.405 0.911 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001335953427 952624599 /nfs/dbraw/zinc/62/45/99/952624599.db2.gz DQLJPNQKPMMQQK-CZUORRHYSA-N 1 0 318.421 0.930 20 10 DCCDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC2)cc1 ZINC001340056651 953140770 /nfs/dbraw/zinc/14/07/70/953140770.db2.gz NPEGGZQCAUTNJI-OAHLLOKOSA-N 1 0 321.421 0.832 20 10 DCCDRO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2)c1ccccc1O ZINC001340917515 953203447 /nfs/dbraw/zinc/20/34/47/953203447.db2.gz OGZWGTMZEMALHQ-ZETOZRRWSA-N 1 0 324.402 0.204 20 10 DCCDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001345185863 953610127 /nfs/dbraw/zinc/61/01/27/953610127.db2.gz MZUGDZKRNWNXRP-QWHCGFSZSA-N 1 0 320.437 0.902 20 10 DCCDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001345185861 953610727 /nfs/dbraw/zinc/61/07/27/953610727.db2.gz MZUGDZKRNWNXRP-CHWSQXEVSA-N 1 0 320.437 0.902 20 10 DCCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)C[NH3+])ccc21 ZINC001357865106 957394213 /nfs/dbraw/zinc/39/42/13/957394213.db2.gz NLLMYZCHUNDXHJ-AWEZNQCLSA-N 1 0 319.405 0.954 20 10 DCCDRO C[C@H](CNC(=O)NCc1ccccc1O)N1CC[NH+](C)CC1 ZINC001528247229 1014236864 /nfs/dbraw/zinc/23/68/64/1014236864.db2.gz ZNCLCEBVOCXHEN-CYBMUJFWSA-N 1 0 306.410 0.827 20 10 DCCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC001474285011 1017009736 /nfs/dbraw/zinc/00/97/36/1017009736.db2.gz OIPHMOGBVZRQIZ-GFCCVEGCSA-N 1 0 310.419 0.982 20 10 DCCDRO OCC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO ZINC001560231664 1012444274 /nfs/dbraw/zinc/44/42/74/1012444274.db2.gz YBVYKLVCWNNAIO-IRXDYDNUSA-N 1 0 320.433 0.946 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c(O)c1 ZINC001561030826 1012460059 /nfs/dbraw/zinc/46/00/59/1012460059.db2.gz WZSHVZKJLFFRLK-NSHDSACASA-N 1 0 314.407 0.820 20 10 DCCDRO C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](O)C[NH2+]1 ZINC001521439234 1017374451 /nfs/dbraw/zinc/37/44/51/1017374451.db2.gz MVCOYXBKBUCHBE-RDJZCZTQSA-N 1 0 319.405 0.252 20 10 DCCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001521932378 1017419936 /nfs/dbraw/zinc/41/99/36/1017419936.db2.gz VJPZNMMZUVBEJJ-IOASZLSFSA-N 1 0 321.421 0.607 20 10 DCCDRO COc1cc(C)c(C[NH2+]C[C@]2(CO)COCCN2C)c(O)c1 ZINC001658918834 1173927461 /nfs/dbraw/zinc/92/74/61/1173927461.db2.gz YWRWRZUGIVDUCP-INIZCTEOSA-N 1 0 310.394 0.492 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000367045890 529781752 /nfs/dbraw/zinc/78/17/52/529781752.db2.gz QJATVNJUNBNXHZ-INIZCTEOSA-N 1 0 320.412 0.898 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCO)cc2=O ZINC000281622741 396234614 /nfs/dbraw/zinc/23/46/14/396234614.db2.gz HRCOAAATQWMWGN-UHFFFAOYSA-N 1 0 308.338 0.426 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1 ZINC000280747294 396218546 /nfs/dbraw/zinc/21/85/46/396218546.db2.gz NASGTUOLEARDJI-KRWDZBQOSA-N 1 0 318.421 0.566 20 10 DCCDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(O)c1O ZINC000187117676 396363713 /nfs/dbraw/zinc/36/37/13/396363713.db2.gz IAQUXTWOCGFXMG-UHFFFAOYSA-N 1 0 307.394 0.807 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](CC)CO)cc2=O ZINC000295682308 335137086 /nfs/dbraw/zinc/13/70/86/335137086.db2.gz KMFRAAIOGCZZGC-LLVKDONJSA-N 1 0 322.365 0.814 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000179661708 534197880 /nfs/dbraw/zinc/19/78/80/534197880.db2.gz NRTBWSHQCWJNSV-UHFFFAOYSA-N 1 0 314.407 0.868 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](CO)C1)cc2=O ZINC000266917054 521580431 /nfs/dbraw/zinc/58/04/31/521580431.db2.gz KVVBVILPTBMLCM-SNVBAGLBSA-N 1 0 320.349 0.426 20 10 DCCDRO CCOCc1cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)ccc1OC ZINC000276540820 529034566 /nfs/dbraw/zinc/03/45/66/529034566.db2.gz XQWYBMJDLZWIJW-ZDUSSCGKSA-N 1 0 321.377 0.952 20 10 DCCDRO CC(=O)N(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256280 658092849 /nfs/dbraw/zinc/09/28/49/658092849.db2.gz WXIAQMLGAQZQNB-INIZCTEOSA-N 1 0 320.437 0.950 20 10 DCCDRO COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1C ZINC000840907839 659406451 /nfs/dbraw/zinc/40/64/51/659406451.db2.gz KICAIAVWBFDLPW-OAHLLOKOSA-N 1 0 319.405 0.925 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)c(O)c1OC ZINC000892947098 659551103 /nfs/dbraw/zinc/55/11/03/659551103.db2.gz CNUQZGMDCPRPOB-VIFPVBQESA-N 1 0 303.380 0.932 20 10 DCCDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895327181 662168942 /nfs/dbraw/zinc/16/89/42/662168942.db2.gz AXIFNFBDUFUZJI-YOEHRIQHSA-N 1 0 324.396 0.980 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895444418 662184433 /nfs/dbraw/zinc/18/44/33/662184433.db2.gz SHUHXARCGFIXHI-UHFFFAOYSA-N 1 0 302.396 0.738 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c(O)c1OC ZINC000896052372 662239480 /nfs/dbraw/zinc/23/94/80/662239480.db2.gz VLTRSBHMYMQXNX-GXSJLCMTSA-N 1 0 315.391 0.932 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000897058359 662387693 /nfs/dbraw/zinc/38/76/93/662387693.db2.gz NUTSLOQCXAIJDY-LLVKDONJSA-N 1 0 314.407 0.901 20 10 DCCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1O ZINC000903279180 663451787 /nfs/dbraw/zinc/45/17/87/663451787.db2.gz PKNXKXRYTOTSHS-WBMJQRKESA-N 1 0 310.394 0.745 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206337 663743604 /nfs/dbraw/zinc/74/36/04/663743604.db2.gz ZLPLFSFZJRECJY-RYWCDNDXSA-N 1 0 306.362 0.684 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)CCNC(=O)C2)cc1 ZINC000911665141 664096277 /nfs/dbraw/zinc/09/62/77/664096277.db2.gz AHRVVZUUKHYQSX-RHSMWYFYSA-N 1 0 318.421 0.785 20 10 DCCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1 ZINC000922822915 666535618 /nfs/dbraw/zinc/53/56/18/666535618.db2.gz KEBSBSLSXKQSDC-FOSCPCJNSA-N 1 0 312.435 0.761 20 10 DCCDRO OC[C@@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO ZINC000862447926 667045000 /nfs/dbraw/zinc/04/50/00/667045000.db2.gz SPWHQDXPDVLRGG-HOTGVXAUSA-N 1 0 306.406 0.556 20 10 DCCDRO COc1cccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c1O ZINC000865767909 667344945 /nfs/dbraw/zinc/34/49/45/667344945.db2.gz ADWJYWASKFFDSW-HNNXBMFYSA-N 1 0 308.334 0.712 20 10 DCCDRO COc1cccc(O)c1C[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000865798356 667348534 /nfs/dbraw/zinc/34/85/34/667348534.db2.gz SLLPBJYIUYAHMC-INIZCTEOSA-N 1 0 322.361 0.118 20 10 DCCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]23COCCN2C(=O)COC3)c1 ZINC000866555080 667381159 /nfs/dbraw/zinc/38/11/59/667381159.db2.gz VRNIQDMGJFPSRW-CXAGYDPISA-N 1 0 320.389 0.979 20 10 DCCDRO C[C@H](NS(=O)(=O)N(C)C1CC[NH2+]CC1)c1ccccc1O ZINC000866814631 667401782 /nfs/dbraw/zinc/40/17/82/667401782.db2.gz SJELMBAXNJODAL-NSHDSACASA-N 1 0 313.423 0.971 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884531797 667562016 /nfs/dbraw/zinc/56/20/16/667562016.db2.gz VIQKOPVBUPLVSH-UHFFFAOYSA-N 1 0 320.437 0.921 20 10 DCCDRO COc1ccc(O)c([C@H](C)NS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000923618160 667727145 /nfs/dbraw/zinc/72/71/45/667727145.db2.gz XNRUSSJNEOJMDH-JTQLQIEISA-N 1 0 315.395 0.201 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1Cn1cccn1 ZINC000886251854 667746787 /nfs/dbraw/zinc/74/67/87/667746787.db2.gz MFOSAZLFSQSUBL-MUJYYYPQSA-N 1 0 317.389 0.914 20 10 DCCDRO CN1C(=O)[C@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)C[C@H]2C1=O ZINC000872714861 667932194 /nfs/dbraw/zinc/93/21/94/667932194.db2.gz RRXRWOCLJJWTBC-OKILXGFUSA-N 1 0 300.358 0.928 20 10 DCCDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(N)cc1 ZINC000873112481 667974014 /nfs/dbraw/zinc/97/40/14/667974014.db2.gz TUKMIPSMIUUSNF-ZIAGYGMSSA-N 1 0 302.378 0.902 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CO)C1CC1)cc2=O ZINC000763087108 668396931 /nfs/dbraw/zinc/39/69/31/668396931.db2.gz TVCXVBZEAYBLLJ-GFCCVEGCSA-N 1 0 320.349 0.472 20 10 DCCDRO COCCNC(=O)CN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876551085 668463892 /nfs/dbraw/zinc/46/38/92/668463892.db2.gz QJLJGXSRLAPCLG-UHFFFAOYSA-N 1 0 321.421 0.581 20 10 DCCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C2)cc1 ZINC000876931504 668538299 /nfs/dbraw/zinc/53/82/99/668538299.db2.gz NQWXJDQKZNCJKX-BBRMVZONSA-N 1 0 320.437 0.527 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769426503 668647128 /nfs/dbraw/zinc/64/71/28/668647128.db2.gz DSOSINRQVCDWTQ-LLVKDONJSA-N 1 0 314.407 0.914 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3COCCO3)cc2)CC1 ZINC000881849462 669398041 /nfs/dbraw/zinc/39/80/41/669398041.db2.gz DKZOUYOAHOIOJQ-INIZCTEOSA-N 1 0 319.405 0.470 20 10 DCCDRO CN(C)c1ccc(C[NH2+][C@@](C)(Cn2cccn2)C(N)=O)cc1 ZINC000934220221 669580330 /nfs/dbraw/zinc/58/03/30/669580330.db2.gz BXWSFDUGENFEQW-INIZCTEOSA-N 1 0 301.394 0.983 20 10 DCCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@@H]21 ZINC000793652716 669730950 /nfs/dbraw/zinc/73/09/50/669730950.db2.gz CHANCVPREKQJJJ-OICBVUGWSA-N 1 0 305.330 0.669 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000817949577 670956031 /nfs/dbraw/zinc/95/60/31/670956031.db2.gz KMCNPQMAYNMDJB-CYBMUJFWSA-N 1 0 319.405 0.951 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000817990891 670959822 /nfs/dbraw/zinc/95/98/22/670959822.db2.gz CIMLSNWCTVRNND-UHFFFAOYSA-N 1 0 318.421 0.533 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000851639329 671002861 /nfs/dbraw/zinc/00/28/61/671002861.db2.gz DAOVTYXYFHEPJL-ZIAGYGMSSA-N 1 0 319.405 0.769 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000851664495 671007995 /nfs/dbraw/zinc/00/79/95/671007995.db2.gz CBIXZMCEQRWHGT-QWHCGFSZSA-N 1 0 304.394 0.935 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)C3(O)C[NH2+]C3)CC2)cc1 ZINC000852864719 671178973 /nfs/dbraw/zinc/17/89/73/671178973.db2.gz FRKDJOCRDVEEMW-UHFFFAOYSA-N 1 0 305.378 0.115 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852895583 671189161 /nfs/dbraw/zinc/18/91/61/671189161.db2.gz FDSDRTNDUATMKK-CVEARBPZSA-N 1 0 321.421 0.954 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)C2)cc1 ZINC000852899688 671189948 /nfs/dbraw/zinc/18/99/48/671189948.db2.gz BWFBQKNNQQNWPR-BXUZGUMPSA-N 1 0 318.377 0.494 20 10 DCCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000826967101 671508523 /nfs/dbraw/zinc/50/85/23/671508523.db2.gz CSMKUHDCYYSEIY-JKSUJKDBSA-N 1 0 320.389 0.943 20 10 DCCDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000826985829 671509117 /nfs/dbraw/zinc/50/91/17/671509117.db2.gz LQDUACUUSDBZNO-CABCVRRESA-N 1 0 312.435 0.963 20 10 DCCDRO COc1ccc(O)c(CN(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000827157689 671516951 /nfs/dbraw/zinc/51/69/51/671516951.db2.gz HBFFFUSAKPMKLX-UHFFFAOYSA-N 1 0 309.410 0.853 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)[NH3+])cc2)CC1 ZINC000832172440 671706956 /nfs/dbraw/zinc/70/69/56/671706956.db2.gz HAIMEWLFGLYMJZ-UHFFFAOYSA-N 1 0 318.421 0.709 20 10 DCCDRO CCOCCOCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278068 671713277 /nfs/dbraw/zinc/71/32/77/671713277.db2.gz AADFOMVXSMKFPV-OAHLLOKOSA-N 1 0 309.410 0.922 20 10 DCCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841711385 671951439 /nfs/dbraw/zinc/95/14/39/671951439.db2.gz BAENXIAWNQOSML-LLVKDONJSA-N 1 0 310.373 0.809 20 10 DCCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)ccc21 ZINC000842150704 671986557 /nfs/dbraw/zinc/98/65/57/671986557.db2.gz WCRZZXIFOYBRNZ-CQSZACIVSA-N 1 0 316.405 0.245 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000842233445 671998018 /nfs/dbraw/zinc/99/80/18/671998018.db2.gz VLTAWSCSIPRFBY-AWEZNQCLSA-N 1 0 319.405 0.999 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccnn2C)cc1 ZINC000842784148 672036724 /nfs/dbraw/zinc/03/67/24/672036724.db2.gz GXJIEMWXBPOBTE-ZDUSSCGKSA-N 1 0 323.422 0.464 20 10 DCCDRO Cn1c(CN2CCCc3cc(C[NH3+])ccc32)cc(=O)n(C)c1=O ZINC000843350760 672085646 /nfs/dbraw/zinc/08/56/46/672085646.db2.gz YJXJMMXCPNVIDU-UHFFFAOYSA-N 1 0 314.389 0.496 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000844223988 672165911 /nfs/dbraw/zinc/16/59/11/672165911.db2.gz DINKXFKITIROFW-UHFFFAOYSA-N 1 0 320.437 0.154 20 10 DCCDRO COc1ccc(N(C)CC[N@H+](C)CCN2C(=O)CNC2=O)cc1 ZINC000844399415 672179357 /nfs/dbraw/zinc/17/93/57/672179357.db2.gz IFXDJSCXHNPIGU-UHFFFAOYSA-N 1 0 320.393 0.615 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(N)=O)C2)cc1C ZINC001018646739 693175562 /nfs/dbraw/zinc/17/55/62/693175562.db2.gz NHGSJRBOMSJXMG-ZDUSSCGKSA-N 1 0 305.378 0.570 20 10 DCCDRO CN1CCCc2cc(CNC(=O)NCC3(O)C[NH2+]C3)ccc21 ZINC001578530525 1165046245 /nfs/dbraw/zinc/04/62/45/1165046245.db2.gz KYFVTYZHUKFLCM-UHFFFAOYSA-N 1 0 304.394 0.203 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1(O)C[NH2+]C1 ZINC001579616880 1165359402 /nfs/dbraw/zinc/35/94/02/1165359402.db2.gz HRCCTFCUVILWNB-ZDUSSCGKSA-N 1 0 320.437 0.626 20 10 DCCDRO [NH3+]CCCCn1cc(C(=O)NCc2cc(O)ccc2O)nn1 ZINC001580296676 1165561689 /nfs/dbraw/zinc/56/16/89/1165561689.db2.gz XLDIZOSIBSJNTJ-UHFFFAOYSA-N 1 0 305.338 0.358 20 10 DCCDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001618753223 1171400638 /nfs/dbraw/zinc/40/06/38/1171400638.db2.gz RALRTUXRTFLFNU-MRXNPFEDSA-N 1 0 308.378 0.555 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2ncn(C)n2)cc1C ZINC001126684364 749601516 /nfs/dbraw/zinc/60/15/16/749601516.db2.gz LEIKVJQMMOHQSL-UHFFFAOYSA-N 1 0 303.366 0.652 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cc1C ZINC001055024730 756713072 /nfs/dbraw/zinc/71/30/72/756713072.db2.gz ALHJZMCBZMIOME-WCQYABFASA-N 1 0 305.378 0.425 20 10 DCCDRO C[N@H+](C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1)[C@H]1CCOC1 ZINC001148587252 768020769 /nfs/dbraw/zinc/02/07/69/768020769.db2.gz FYOKBHUKMLUVMG-JTQLQIEISA-N 1 0 308.334 0.349 20 10 DCCDRO C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@H](C[NH3+])C1 ZINC001118574804 766362811 /nfs/dbraw/zinc/36/28/11/766362811.db2.gz MAPQHDHOTSKZNJ-OCCSQVGLSA-N 1 0 319.405 0.936 20 10 DCCDRO C[C@@]1(C(=O)NCCCSc2nccs2)C[C@@H](O)C[NH2+]1 ZINC001121874880 767653128 /nfs/dbraw/zinc/65/31/28/767653128.db2.gz DBXIDJCSSBMLFC-SKDRFNHKSA-N 1 0 301.437 0.854 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(N)=O)cc2)CC1 ZINC001139404694 768472607 /nfs/dbraw/zinc/47/26/07/768472607.db2.gz WCIAVADSPPZFKV-INIZCTEOSA-N 1 0 302.422 0.888 20 10 DCCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC001140283631 768523612 /nfs/dbraw/zinc/52/36/12/768523612.db2.gz ZBVHPWCWYYWGRI-MAUKXSAKSA-N 1 0 320.433 0.823 20 10 DCCDRO O[C@H]1COCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660045 768538193 /nfs/dbraw/zinc/53/81/93/768538193.db2.gz DEMDESKVXBITHX-OAHLLOKOSA-N 1 0 310.369 0.855 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1O ZINC001140660197 768538237 /nfs/dbraw/zinc/53/82/37/768538237.db2.gz JFOKYPPMBDFEOL-YOEHRIQHSA-N 1 0 324.396 0.837 20 10 DCCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001140660111 768538389 /nfs/dbraw/zinc/53/83/89/768538389.db2.gz GIGYQFDKOYFHAX-RHSMWYFYSA-N 1 0 324.396 0.837 20 10 DCCDRO COc1cc(CN2CCN(c3ncncn3)CC2)c(O)cc1O ZINC001231639826 769270828 /nfs/dbraw/zinc/27/08/28/769270828.db2.gz LKJAUOXRSLPYAZ-UHFFFAOYSA-N 1 0 317.349 0.614 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(N2CCOCC2)cc1 ZINC001236199640 769982998 /nfs/dbraw/zinc/98/29/98/769982998.db2.gz YWYMEKFHPANKSG-ZBFHGGJFSA-N 1 0 319.405 0.598 20 10 DCCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1O ZINC001237201993 770035288 /nfs/dbraw/zinc/03/52/88/770035288.db2.gz DWEMJAUPRMAINT-XJKSGUPXSA-N 1 0 324.446 0.734 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c(OC)c1 ZINC001237677575 770071859 /nfs/dbraw/zinc/07/18/59/770071859.db2.gz FFGWUCTXPFUFCX-GWCFXTLKSA-N 1 0 306.362 0.977 20 10 DCCDRO [NH3+]CCS(=O)(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001238504522 770118247 /nfs/dbraw/zinc/11/82/47/770118247.db2.gz NYSCJGFVHYODDW-UHFFFAOYSA-N 1 0 315.782 0.972 20 10 DCCDRO CON(C)C(=O)[C@H]1CCc2cc(N3CC[C@@H]([NH3+])C3)ccc2O1 ZINC001164287069 772636634 /nfs/dbraw/zinc/63/66/34/772636634.db2.gz AWRZTWNXTSZVGF-IUODEOHRSA-N 1 0 305.378 0.937 20 10 DCCDRO CC(=O)N1CCOC[C@@]2(C[N@H+](Cc3ccccc3O)CCO2)C1 ZINC001203552389 772913425 /nfs/dbraw/zinc/91/34/25/772913425.db2.gz MEWVARHIDVECLH-QGZVFWFLSA-N 1 0 320.389 0.842 20 10 DCCDRO CC(=O)N1CCO[C@]2(C1)COCC[N@H+](Cc1ccccc1O)C2 ZINC001203555549 772913490 /nfs/dbraw/zinc/91/34/90/772913490.db2.gz CUDONODBVPYFIO-QGZVFWFLSA-N 1 0 320.389 0.842 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203555538 772913543 /nfs/dbraw/zinc/91/35/43/772913543.db2.gz CMNNPMYEFKJCAN-INIZCTEOSA-N 1 0 303.362 0.315 20 10 DCCDRO COc1cccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c1O ZINC001203589141 772914944 /nfs/dbraw/zinc/91/49/44/772914944.db2.gz FOAWZVYLQQLLCT-UHFFFAOYSA-N 1 0 306.362 0.882 20 10 DCCDRO COc1cc(O)c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(OC)c1 ZINC001222502394 775369679 /nfs/dbraw/zinc/36/96/79/775369679.db2.gz KOZQMOGYLARSML-GJZGRUSLSA-N 1 0 321.421 0.935 20 10 DCCDRO Cc1ccc(C[N@H+]2CCn3c(nnc3C(N)=O)C[C@H]2C)c(O)c1 ZINC001277569454 944882453 /nfs/dbraw/zinc/88/24/53/944882453.db2.gz ZCZLXOHDGVSUTC-LLVKDONJSA-N 1 0 315.377 0.838 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001249177565 945622161 /nfs/dbraw/zinc/62/21/61/945622161.db2.gz DNJNGGJYZLYHCK-DOTOQJQBSA-N 1 0 323.389 0.673 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001249201294 945623153 /nfs/dbraw/zinc/62/31/53/945623153.db2.gz NEWFNWNXXCUBDB-ZDUSSCGKSA-N 1 0 306.362 0.948 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2nnc[nH]2)cc1C ZINC001320285596 945804206 /nfs/dbraw/zinc/80/42/06/945804206.db2.gz CXLRBEXRTLICGV-GFCCVEGCSA-N 1 0 319.365 0.002 20 10 DCCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](O)(C(=O)[O-])C3)cc2)CC1 ZINC001262157906 947587121 /nfs/dbraw/zinc/58/71/21/947587121.db2.gz RUCUHBDYYYCQSW-KRWDZBQOSA-N 1 0 319.405 0.460 20 10 DCCDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC001325355085 947764849 /nfs/dbraw/zinc/76/48/49/947764849.db2.gz HCBPGLUXUXRXBM-ZDUSSCGKSA-N 1 0 320.437 0.791 20 10 DCCDRO C[C@@H](NC(=O)C[C@@H](O)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001263097926 947808428 /nfs/dbraw/zinc/80/84/28/947808428.db2.gz MPDOHUQJNGZQCU-IUODEOHRSA-N 1 0 307.394 0.410 20 10 DCCDRO C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1C[NH3+] ZINC001326472903 948174296 /nfs/dbraw/zinc/17/42/96/948174296.db2.gz FKFOFYGMOUUJFC-GXTWGEPZSA-N 1 0 319.405 0.794 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001331578487 951180338 /nfs/dbraw/zinc/18/03/38/951180338.db2.gz ODHBHWPAROIXMO-AWEZNQCLSA-N 1 0 319.405 0.903 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC001333491283 952080677 /nfs/dbraw/zinc/08/06/77/952080677.db2.gz NGEWMSDTEFKXLS-RHSMWYFYSA-N 1 0 303.406 0.778 20 10 DCCDRO COC(=O)[C@H]1C[NH+](Cc2c(O)cccc2OC)C[C@@H]1C(=O)OC ZINC001334355586 952295480 /nfs/dbraw/zinc/29/54/80/952295480.db2.gz GFBCIQMULZRJJB-QWRGUYRKSA-N 1 0 323.345 0.795 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001335304486 952517415 /nfs/dbraw/zinc/51/74/15/952517415.db2.gz RPHYQTYKDAWLMA-DYVFJYSZSA-N 1 0 317.389 0.690 20 10 DCCDRO C[C@H](NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)c1ccccc1O ZINC001341539816 953236121 /nfs/dbraw/zinc/23/61/21/953236121.db2.gz AZGAUYAEMDNLRZ-QWRGUYRKSA-N 1 0 303.362 0.390 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCNC2=O)cc1 ZINC001343021840 953318534 /nfs/dbraw/zinc/31/85/34/953318534.db2.gz PNUASGSKEQSZJA-UONOGXRCSA-N 1 0 304.394 0.395 20 10 DCCDRO C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1C[N@H+](C)CCN1C ZINC001351612634 955356648 /nfs/dbraw/zinc/35/66/48/955356648.db2.gz LQPGPTZFTDODSY-OCCSQVGLSA-N 1 0 306.410 0.826 20 10 DCCDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001353055495 955902222 /nfs/dbraw/zinc/90/22/22/955902222.db2.gz LWHGACPDMPJZOZ-ZDUSSCGKSA-N 1 0 316.405 0.533 20 10 DCCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001353145868 955945352 /nfs/dbraw/zinc/94/53/52/955945352.db2.gz GJKYZECIFPJPDQ-MRXNPFEDSA-N 1 0 320.437 0.418 20 10 DCCDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)Cc1ccc(N)cc1)C2 ZINC001354719477 956485555 /nfs/dbraw/zinc/48/55/55/956485555.db2.gz GOGWKQUROGWWSU-QEORTHHSSA-N 1 0 317.389 0.550 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+](CCCCCO)CC1 ZINC001470695272 1016482878 /nfs/dbraw/zinc/48/28/78/1016482878.db2.gz RTGQIVGDSNIRGY-UHFFFAOYSA-N 1 0 322.405 0.947 20 10 DCCDRO C[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H](O)C[NH2+]1 ZINC001521439233 1017373132 /nfs/dbraw/zinc/37/31/32/1017373132.db2.gz MVCOYXBKBUCHBE-NVXWUHKLSA-N 1 0 319.405 0.252 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000373231588 530023883 /nfs/dbraw/zinc/02/38/83/530023883.db2.gz SYFZEJWBXSDFED-GFCCVEGCSA-N 1 0 300.380 0.524 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000370711710 239177817 /nfs/dbraw/zinc/17/78/17/239177817.db2.gz RATGTTZVFVZKQH-ZFWWWQNUSA-N 1 0 306.362 0.880 20 10 DCCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000273721312 130157301 /nfs/dbraw/zinc/15/73/01/130157301.db2.gz IFQKOBFCYFEFNK-UHFFFAOYSA-N 1 0 319.361 0.965 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCOC)cc2=O ZINC000298778616 132076860 /nfs/dbraw/zinc/07/68/60/132076860.db2.gz KRDJMZXMWPYHOZ-UHFFFAOYSA-N 1 0 308.338 0.690 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000192655503 396434728 /nfs/dbraw/zinc/43/47/28/396434728.db2.gz YQQRLXLSCWHKPW-INIZCTEOSA-N 1 0 302.378 0.927 20 10 DCCDRO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(F)ccc3O)CCN2C1=O ZINC000368588139 276147656 /nfs/dbraw/zinc/14/76/56/276147656.db2.gz CZVUJPCHIRWCHA-GFCCVEGCSA-N 1 0 307.325 1.000 20 10 DCCDRO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000264694035 522608678 /nfs/dbraw/zinc/60/86/78/522608678.db2.gz HZEUFJCQDJFUSW-NSHDSACASA-N 1 0 309.366 0.685 20 10 DCCDRO COc1cccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c1O ZINC000067005906 661248614 /nfs/dbraw/zinc/24/86/14/661248614.db2.gz MLLFDXCWHLIDFD-UHFFFAOYSA-N 1 0 302.396 0.818 20 10 DCCDRO CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+](C)CC1 ZINC000888988561 657522662 /nfs/dbraw/zinc/52/26/62/657522662.db2.gz PKOIOSWCORVEMS-GQCTYLIASA-N 1 0 319.405 0.817 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2COCCO2)[NH+](C)C)cc1 ZINC000891251628 658088882 /nfs/dbraw/zinc/08/88/82/658088882.db2.gz CMSKSLHTPMMLAD-HOTGVXAUSA-N 1 0 321.421 0.887 20 10 DCCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2ccn[nH]2)c1O ZINC000894432018 661967980 /nfs/dbraw/zinc/96/79/80/661967980.db2.gz TWWHQHQUMDPPAC-UHFFFAOYSA-N 1 0 304.350 0.952 20 10 DCCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895323422 662169158 /nfs/dbraw/zinc/16/91/58/662169158.db2.gz CLWWBHLBAOMGSB-ZWKOTPCHSA-N 1 0 320.433 0.965 20 10 DCCDRO COc1cccc(O)c1C[NH+]1CCC(O)(COCCO)CC1 ZINC000895827960 662219489 /nfs/dbraw/zinc/21/94/89/662219489.db2.gz RAROQZBANLXAJK-UHFFFAOYSA-N 1 0 311.378 0.737 20 10 DCCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897057412 662387128 /nfs/dbraw/zinc/38/71/28/662387128.db2.gz BFOYRPUICKLAHI-NSHDSACASA-N 1 0 314.407 0.901 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000897059566 662387700 /nfs/dbraw/zinc/38/77/00/662387700.db2.gz YERAKMDAPCORPD-JTQLQIEISA-N 1 0 300.380 0.511 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCO)cc2F)CC1 ZINC000902853133 663437059 /nfs/dbraw/zinc/43/70/59/663437059.db2.gz FHPVOIGLYMJZCN-UHFFFAOYSA-N 1 0 309.385 0.966 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(O)CCC3)cc2)CC1 ZINC000918857371 665185763 /nfs/dbraw/zinc/18/57/63/665185763.db2.gz NACHCXPDGOGRFF-UHFFFAOYSA-N 1 0 303.406 0.970 20 10 DCCDRO O=C(NCCCSc1nccs1)NC[C@@H]1COCC[NH2+]1 ZINC000861609150 666949572 /nfs/dbraw/zinc/94/95/72/666949572.db2.gz CUBRZNFIMXCWKZ-SNVBAGLBSA-N 1 0 316.452 0.913 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861750681 666972528 /nfs/dbraw/zinc/97/25/28/666972528.db2.gz MNMXFJTWUSARLU-LBPRGKRZSA-N 1 0 306.410 0.483 20 10 DCCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c(O)c1 ZINC000866554442 667380865 /nfs/dbraw/zinc/38/08/65/667380865.db2.gz RDYGPZRAIDHWFG-DYVFJYSZSA-N 1 0 320.389 0.979 20 10 DCCDRO NS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000740877830 667753840 /nfs/dbraw/zinc/75/38/40/667753840.db2.gz LWANZSIHTQWOQK-ZDUSSCGKSA-N 1 0 314.407 0.662 20 10 DCCDRO C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988091 667782026 /nfs/dbraw/zinc/78/20/26/667782026.db2.gz GCNQIHKMSADPOH-DGCLKSJQSA-N 1 0 305.378 0.828 20 10 DCCDRO CN1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000762556315 668366345 /nfs/dbraw/zinc/36/63/45/668366345.db2.gz NNMKLORSKZNQBS-QGZVFWFLSA-N 1 0 305.422 0.679 20 10 DCCDRO C[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)C[NH2+]CCO1 ZINC000876726315 668497026 /nfs/dbraw/zinc/49/70/26/668497026.db2.gz DADHDYFZANHBOW-QGZVFWFLSA-N 1 0 319.405 0.518 20 10 DCCDRO COC(=O)C[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000766458282 668536154 /nfs/dbraw/zinc/53/61/54/668536154.db2.gz GVRBXKPGMSBIQO-HNNXBMFYSA-N 1 0 309.318 0.933 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)cc1 ZINC000876960006 668543098 /nfs/dbraw/zinc/54/30/98/668543098.db2.gz RLTIWMMXFVFBBY-BYCMXARLSA-N 1 0 305.378 0.506 20 10 DCCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](CO)C1 ZINC000877644906 668635912 /nfs/dbraw/zinc/63/59/12/668635912.db2.gz VJAOTHPXPYSFDA-KRWDZBQOSA-N 1 0 305.422 0.632 20 10 DCCDRO COc1cccc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1O ZINC000877669195 668638571 /nfs/dbraw/zinc/63/85/71/668638571.db2.gz XPHQMKXSFHZVCG-HOTGVXAUSA-N 1 0 304.346 0.885 20 10 DCCDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775370574 668861247 /nfs/dbraw/zinc/86/12/47/668861247.db2.gz WNRQBIVFXDVUDD-VHSXEESVSA-N 1 0 310.350 0.729 20 10 DCCDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000775835031 668868475 /nfs/dbraw/zinc/86/84/75/668868475.db2.gz DBVNZPCZIOCOGU-OLZOCXBDSA-N 1 0 320.437 0.996 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1 ZINC000878981132 668960022 /nfs/dbraw/zinc/96/00/22/668960022.db2.gz GBLHXMLVROCMJA-NVXWUHKLSA-N 1 0 321.421 0.186 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)c1 ZINC000930217526 668978615 /nfs/dbraw/zinc/97/86/15/668978615.db2.gz XFAZPNNCOKPCMJ-OZVIIMIRSA-N 1 0 311.378 0.954 20 10 DCCDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(O)c2O)C1 ZINC000790626529 669562368 /nfs/dbraw/zinc/56/23/68/669562368.db2.gz FUTDMCRSYLNBAX-LLVKDONJSA-N 1 0 321.377 0.415 20 10 DCCDRO CCOc1cccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1O ZINC000800891065 670103644 /nfs/dbraw/zinc/10/36/44/670103644.db2.gz FSUOCHOZLUIBBT-UHFFFAOYSA-N 1 0 314.407 0.961 20 10 DCCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)C(C)=O)CC1=O ZINC000808543256 670414444 /nfs/dbraw/zinc/41/44/44/670414444.db2.gz DAWSLDTXUUEZFT-OLZOCXBDSA-N 1 0 324.377 0.021 20 10 DCCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)C(C)=O)CC1=O ZINC000808543260 670414467 /nfs/dbraw/zinc/41/44/67/670414467.db2.gz DAWSLDTXUUEZFT-STQMWFEESA-N 1 0 324.377 0.021 20 10 DCCDRO COc1cccc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1O ZINC000809740284 670459662 /nfs/dbraw/zinc/45/96/62/670459662.db2.gz SDVRUYCJDOUDSN-UHFFFAOYSA-N 1 0 305.334 0.088 20 10 DCCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000848429765 670680486 /nfs/dbraw/zinc/68/04/86/670680486.db2.gz VGKYXYQIUZEZFZ-ZDUSSCGKSA-N 1 0 318.421 0.579 20 10 DCCDRO Nc1ccc(CCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848603529 670702939 /nfs/dbraw/zinc/70/29/39/670702939.db2.gz QFMAXVMEJRROOI-LSDHHAIUSA-N 1 0 304.394 0.272 20 10 DCCDRO COc1ccc(CNC(=[NH2+])NCCCN2CCOCC2)c(O)c1 ZINC000849095344 670757283 /nfs/dbraw/zinc/75/72/83/670757283.db2.gz SZEAYSTXIYXRCP-UHFFFAOYSA-N 1 0 322.409 0.737 20 10 DCCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849328094 670777254 /nfs/dbraw/zinc/77/72/54/670777254.db2.gz ZPNSCMNLSPZKCW-OAHLLOKOSA-N 1 0 312.435 0.782 20 10 DCCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000850360275 670909623 /nfs/dbraw/zinc/90/96/23/670909623.db2.gz CLZSWEXDXNSFIG-GXTWGEPZSA-N 1 0 315.391 0.693 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000817917694 670952993 /nfs/dbraw/zinc/95/29/93/670952993.db2.gz CPPOLIQWYKXQJL-CQSZACIVSA-N 1 0 318.421 0.661 20 10 DCCDRO CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944367 670955553 /nfs/dbraw/zinc/95/55/53/670955553.db2.gz ZXBWKEQRXFIZLM-HRCADAONSA-N 1 0 320.437 0.636 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000851668352 671009350 /nfs/dbraw/zinc/00/93/50/671009350.db2.gz RPDQVWSAFYJMEB-DANNLKNASA-N 1 0 316.405 0.791 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851686969 671014123 /nfs/dbraw/zinc/01/41/23/671014123.db2.gz VSSHIABSHDTGNS-ZDUSSCGKSA-N 1 0 318.421 0.627 20 10 DCCDRO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000858571947 671017424 /nfs/dbraw/zinc/01/74/24/671017424.db2.gz MYEZNZOQKUXKSB-LBPRGKRZSA-N 1 0 311.407 0.460 20 10 DCCDRO COCCOc1ccccc1NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000819424082 671117947 /nfs/dbraw/zinc/11/79/47/671117947.db2.gz IBXDYDBIBOLMSW-OAHLLOKOSA-N 1 0 323.437 0.732 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CC3CC2(C[NH3+])C3)cc1 ZINC000852755741 671156678 /nfs/dbraw/zinc/15/66/78/671156678.db2.gz CYFMWTFFLMNCGW-UHFFFAOYSA-N 1 0 302.422 0.792 20 10 DCCDRO [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(N3CCOCC3)cc2)=NO1 ZINC000852859518 671176734 /nfs/dbraw/zinc/17/67/34/671176734.db2.gz WARGSYCDGCKYQH-AWEZNQCLSA-N 1 0 318.377 0.243 20 10 DCCDRO COc1cccc(O)c1CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000827157863 671516956 /nfs/dbraw/zinc/51/69/56/671516956.db2.gz JZMFPZCNOIMJDZ-UHFFFAOYSA-N 1 0 309.410 0.853 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@H]21 ZINC000827388329 671526100 /nfs/dbraw/zinc/52/61/00/671526100.db2.gz DCQFFCXGQIJRRP-CFVMTHIKSA-N 1 0 311.403 0.944 20 10 DCCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[NH2+]3)CC2)cc1 ZINC000829504243 671578374 /nfs/dbraw/zinc/57/83/74/671578374.db2.gz CDFVQRNXRQNINJ-MRXNPFEDSA-N 1 0 318.421 0.295 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)[NH3+])cc2)CC1 ZINC000832173847 671706897 /nfs/dbraw/zinc/70/68/97/671706897.db2.gz VRTPOYCJIRUZBN-GFCCVEGCSA-N 1 0 304.394 0.319 20 10 DCCDRO Cc1c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nnn1C ZINC000832273559 671713139 /nfs/dbraw/zinc/71/31/39/671713139.db2.gz ORTCPVQDDPPXJY-ZDUSSCGKSA-N 1 0 302.382 0.619 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccnn2C)cc1 ZINC000832283729 671713252 /nfs/dbraw/zinc/71/32/52/671713252.db2.gz APOWZBUMEFDCCD-HNNXBMFYSA-N 1 0 301.394 0.845 20 10 DCCDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000832300535 671713961 /nfs/dbraw/zinc/71/39/61/671713961.db2.gz YPYWUJMLGDKSMM-GWCFXTLKSA-N 1 0 313.423 0.302 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc[n+]2[O-])cc1 ZINC000832300274 671713973 /nfs/dbraw/zinc/71/39/73/671713973.db2.gz QNZCQBBGYONNPQ-CQSZACIVSA-N 1 0 300.362 0.816 20 10 DCCDRO [NH3+]CCN(CCO)C(=O)NCCCSc1nccs1 ZINC000841855517 671960790 /nfs/dbraw/zinc/96/07/90/671960790.db2.gz AHJPHELCVXOBIF-UHFFFAOYSA-N 1 0 304.441 0.588 20 10 DCCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842035755 671977686 /nfs/dbraw/zinc/97/76/86/671977686.db2.gz IKRRGXNLVKNDCD-GXTWGEPZSA-N 1 0 318.421 0.565 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000842036863 671978249 /nfs/dbraw/zinc/97/82/49/671978249.db2.gz SFZLQYAGADBXTC-AWEZNQCLSA-N 1 0 304.394 0.222 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1F ZINC000842147520 671985763 /nfs/dbraw/zinc/98/57/63/671985763.db2.gz GASCAIDPHBQNBI-LBPRGKRZSA-N 1 0 322.384 0.458 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000842202195 671994201 /nfs/dbraw/zinc/99/42/01/671994201.db2.gz FIPZOIPMHXLOAL-LLVKDONJSA-N 1 0 306.410 0.783 20 10 DCCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000842203324 671994231 /nfs/dbraw/zinc/99/42/31/671994231.db2.gz QZIOJEJYVMNPGV-OCCSQVGLSA-N 1 0 318.421 0.750 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000842208433 671994607 /nfs/dbraw/zinc/99/46/07/671994607.db2.gz UPLMHCUPVZZQPM-AWEZNQCLSA-N 1 0 318.421 0.709 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000842206371 671994854 /nfs/dbraw/zinc/99/48/54/671994854.db2.gz DXUZBPWDBNLSBW-ZDUSSCGKSA-N 1 0 320.437 0.860 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000842206292 671994896 /nfs/dbraw/zinc/99/48/96/671994896.db2.gz CJPJGTNSOGCWBY-CQSZACIVSA-N 1 0 318.421 0.627 20 10 DCCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000842229691 671997682 /nfs/dbraw/zinc/99/76/82/671997682.db2.gz LMUGLEQULMIBFG-GFCCVEGCSA-N 1 0 307.394 0.984 20 10 DCCDRO C[NH2+]CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000843489159 672103604 /nfs/dbraw/zinc/10/36/04/672103604.db2.gz HCSXCFSNESQPPJ-UHFFFAOYSA-N 1 0 300.742 0.767 20 10 DCCDRO O=C(CN1CC[NH2+]CC1)NCc1ccc(N2CCCC2)cc1 ZINC000844217439 672164230 /nfs/dbraw/zinc/16/42/30/672164230.db2.gz ISEOVDMHKWJRNF-UHFFFAOYSA-N 1 0 302.422 0.808 20 10 DCCDRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400226 672179720 /nfs/dbraw/zinc/17/97/20/672179720.db2.gz XJGJTCPAZAXKGD-GFCCVEGCSA-N 1 0 322.409 0.907 20 10 DCCDRO CN1CCCc2cc(CNC(=O)[C@H](N)CC[NH+](C)C)ccc21 ZINC000846673403 672335778 /nfs/dbraw/zinc/33/57/78/672335778.db2.gz PKXTZNPGAQIONV-OAHLLOKOSA-N 1 0 304.438 0.964 20 10 DCCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(OC)c1 ZINC001141026644 1159065151 /nfs/dbraw/zinc/06/51/51/1159065151.db2.gz YDJVFHUBNOXGRI-CJNGLKHVSA-N 1 0 308.378 0.924 20 10 DCCDRO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC001574001536 1163621682 /nfs/dbraw/zinc/62/16/82/1163621682.db2.gz CQXJLMSDVBGUBM-CHWSQXEVSA-N 1 0 301.346 0.934 20 10 DCCDRO C[C@H](NC(=O)CC1([NH3+])COC1)c1ccc(N2CCOCC2)cc1 ZINC001576188683 1164264632 /nfs/dbraw/zinc/26/46/32/1164264632.db2.gz IQIPKWUYJHFFJP-ZDUSSCGKSA-N 1 0 319.405 0.818 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC001578427355 1165012855 /nfs/dbraw/zinc/01/28/55/1165012855.db2.gz SESBLMBJVLKHEB-DOMZBBRYSA-N 1 0 305.378 0.842 20 10 DCCDRO COc1ccc(CNC(=O)NC[C@]2(C)C[NH2+]CCO2)c(O)c1 ZINC001579215722 1165240077 /nfs/dbraw/zinc/24/00/77/1165240077.db2.gz CPYFMBURCWYOIU-HNNXBMFYSA-N 1 0 309.366 0.579 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1(O)CC[NH2+]C1 ZINC001579616856 1165359473 /nfs/dbraw/zinc/35/94/73/1165359473.db2.gz HAGKQEUUBUTZQD-INIZCTEOSA-N 1 0 306.410 0.585 20 10 DCCDRO COC1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC001644746056 1172020806 /nfs/dbraw/zinc/02/08/06/1172020806.db2.gz CHBJIGVZGJKPAU-CALCHBBNSA-N 1 0 306.406 0.839 20 10 DCCDRO Cn1cnnc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001656029887 1173833197 /nfs/dbraw/zinc/83/31/97/1173833197.db2.gz VDARFFJGBBATIT-UHFFFAOYSA-N 1 0 300.410 0.857 20 10 DCCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cn1ccnn1 ZINC001658099221 1173918909 /nfs/dbraw/zinc/91/89/09/1173918909.db2.gz TWJWPQUKVNMZST-INIZCTEOSA-N 1 0 317.393 0.265 20 10 DCCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c(Cl)c1 ZINC001659753891 1173935517 /nfs/dbraw/zinc/93/55/17/1173935517.db2.gz KNDIUVNKGPDFHL-DTORHVGOSA-N 1 0 311.769 0.373 20 10 DCCDRO C[C@H](C[NH2+]CCCO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001669485407 1174930019 /nfs/dbraw/zinc/93/00/19/1174930019.db2.gz FERRDGZPCHGNLR-SNVBAGLBSA-N 1 0 307.354 0.939 20 10 DCCDRO C[C@H](O)C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001713668695 1181008899 /nfs/dbraw/zinc/00/88/99/1181008899.db2.gz SJABZHWYIPMGCQ-JTQLQIEISA-N 1 0 307.354 0.891 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC(N)=O)cc1C ZINC001714381254 1181343377 /nfs/dbraw/zinc/34/33/77/1181343377.db2.gz UAMQRLLDJDYIFW-NSHDSACASA-N 1 0 307.394 0.721 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2cn(C)nn2)cc1C ZINC001714702060 1181491153 /nfs/dbraw/zinc/49/11/53/1181491153.db2.gz AUSGZQADKKEUIR-UHFFFAOYSA-N 1 0 317.393 0.994 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2COC(=O)N2)cc1C ZINC001732994504 1186094907 /nfs/dbraw/zinc/09/49/07/1186094907.db2.gz JZBUVMIPWBYECB-WCQYABFASA-N 1 0 321.377 0.706 20 10 DCCDRO O=S1(=O)CCN(c2ccc(CN3CCC[NH2+]CC3)cc2)CC1 ZINC001204685194 749321769 /nfs/dbraw/zinc/32/17/69/749321769.db2.gz WXPJVNXDWPYOCV-UHFFFAOYSA-N 1 0 323.462 0.717 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC(=O)N(C)C2)cc1C ZINC001128673812 754210647 /nfs/dbraw/zinc/21/06/47/754210647.db2.gz PCGKBSHYSNXZOZ-AWEZNQCLSA-N 1 0 319.405 0.688 20 10 DCCDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)c1cc(O)c(O)c(O)c1 ZINC001148584030 768020488 /nfs/dbraw/zinc/02/04/88/768020488.db2.gz LGFNCLYTLIFXKY-SECBINFHSA-N 1 0 316.317 0.592 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001118043728 766205624 /nfs/dbraw/zinc/20/56/24/766205624.db2.gz RXGXZZKHXDPIPK-CYBMUJFWSA-N 1 0 305.378 0.609 20 10 DCCDRO O=C1COCCN1C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515874 766964801 /nfs/dbraw/zinc/96/48/01/766964801.db2.gz HMXMMRRDEXMYQY-UHFFFAOYSA-N 1 0 322.361 0.627 20 10 DCCDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001137732805 768389590 /nfs/dbraw/zinc/38/95/90/768389590.db2.gz QHUBBUUCZVZSMM-CQSZACIVSA-N 1 0 307.354 0.891 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141158837 768569833 /nfs/dbraw/zinc/56/98/33/768569833.db2.gz ONJWJQQGCUAEMY-MRXNPFEDSA-N 1 0 319.361 0.021 20 10 DCCDRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccc(O)c(O)c1)CCO2 ZINC001143016541 768679802 /nfs/dbraw/zinc/67/98/02/768679802.db2.gz RWGVLDWKPIXLGC-UHFFFAOYSA-N 1 0 320.389 0.964 20 10 DCCDRO COc1cc(N(C)C)ccc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234989593 769737478 /nfs/dbraw/zinc/73/74/78/769737478.db2.gz PSUZLEAUCGVAEC-QGZVFWFLSA-N 1 0 304.438 0.899 20 10 DCCDRO COc1cc(O)c(CN2CCNC[C@]23CC[NH2+]C3)cc1OC ZINC001234994046 769739365 /nfs/dbraw/zinc/73/93/65/769739365.db2.gz XCVYXDPTRUONGQ-MRXNPFEDSA-N 1 0 307.394 0.547 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2c(O)cc(OC)cc2OC)C[C@H]1[NH3+] ZINC001236347259 770001669 /nfs/dbraw/zinc/00/16/69/770001669.db2.gz KTIOCKSXOUBJLY-ZYHUDNBSSA-N 1 0 310.350 0.342 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c(O)c1 ZINC001236821610 770019107 /nfs/dbraw/zinc/01/91/07/770019107.db2.gz RKVPWADZCKMBTM-LBPRGKRZSA-N 1 0 306.362 0.752 20 10 DCCDRO O=S1(=O)CCN(c2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC001237207017 770033626 /nfs/dbraw/zinc/03/36/26/770033626.db2.gz ONHSXXFFNZRSGA-MRXNPFEDSA-N 1 0 324.446 0.878 20 10 DCCDRO CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3c(C)cccc3O)C[C@H]21 ZINC001237489450 770049248 /nfs/dbraw/zinc/04/92/48/770049248.db2.gz XUCJAAJKUNUKGF-ZBFHGGJFSA-N 1 0 319.405 0.332 20 10 DCCDRO COc1cc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c(OC)c1 ZINC001237668406 770072689 /nfs/dbraw/zinc/07/26/89/770072689.db2.gz DNELUOLQUFTTLG-HOCLYGCPSA-N 1 0 311.378 0.975 20 10 DCCDRO CCOc1ccc(N2CCN(S(=O)(=O)CC[NH3+])CC2)cc1 ZINC001239143525 770194047 /nfs/dbraw/zinc/19/40/47/770194047.db2.gz UGSGXWMXYIQCTF-UHFFFAOYSA-N 1 0 313.423 0.496 20 10 DCCDRO CCOC(=O)[C@H]1CNCCN1C(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001157998822 771709480 /nfs/dbraw/zinc/70/94/80/771709480.db2.gz IGGZDBNYCPDREX-CHWSQXEVSA-N 1 0 321.377 0.146 20 10 DCCDRO O=C(CNc1ncnc2c1CC[NH2+]C2)c1ccc(O)c(O)c1 ZINC001159276271 771889354 /nfs/dbraw/zinc/88/93/54/771889354.db2.gz GQQVJPSNPUIJPU-UHFFFAOYSA-N 1 0 300.318 0.828 20 10 DCCDRO Cc1cc(CN2C[C@@H]([NH3+])[C@H](O)C2)c(O)cc1Br ZINC001205375933 772989902 /nfs/dbraw/zinc/98/99/02/772989902.db2.gz BBAKXFQGROGOSF-ZYHUDNBSSA-N 1 0 301.184 0.967 20 10 DCCDRO CN(C)c1ccc(/C=C/C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001219617296 774558769 /nfs/dbraw/zinc/55/87/69/774558769.db2.gz JRJKNNSIVRDSGL-JDMOEDKQSA-N 1 0 321.396 0.945 20 10 DCCDRO N[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212649 774736362 /nfs/dbraw/zinc/73/63/62/774736362.db2.gz RAYNYFGIVIZLDE-JQWIXIFHSA-N 1 0 320.780 0.757 20 10 DCCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001256326049 946610727 /nfs/dbraw/zinc/61/07/27/946610727.db2.gz ICJVKYYAAIWSOJ-LLVKDONJSA-N 1 0 322.361 0.508 20 10 DCCDRO [NH3+]CCCCCCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001262070373 947551050 /nfs/dbraw/zinc/55/10/50/947551050.db2.gz XYVUIAQSJVRRPQ-UHFFFAOYSA-N 1 0 305.378 0.870 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001262552718 947724484 /nfs/dbraw/zinc/72/44/84/947724484.db2.gz DFBKWIPBACRXSU-YNEHKIRRSA-N 1 0 303.362 0.360 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C2)cc1 ZINC001263154224 947815190 /nfs/dbraw/zinc/81/51/90/947815190.db2.gz LYTKLZDUJZHJAO-BXUZGUMPSA-N 1 0 307.394 0.488 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCN3C)C2)cc1 ZINC001263154497 947815220 /nfs/dbraw/zinc/81/52/20/947815220.db2.gz UWPHCGNSVBCKOS-CZUORRHYSA-N 1 0 318.421 0.294 20 10 DCCDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001325712398 947891499 /nfs/dbraw/zinc/89/14/99/947891499.db2.gz LUINBULHHXMOES-NSHDSACASA-N 1 0 324.400 0.480 20 10 DCCDRO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1Cc2cccc(O)c2C1 ZINC001332127971 951491981 /nfs/dbraw/zinc/49/19/81/951491981.db2.gz LXIIZZVWUNLYNQ-OLZOCXBDSA-N 1 0 315.373 0.587 20 10 DCCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001332477145 951660798 /nfs/dbraw/zinc/66/07/98/951660798.db2.gz PTUKRBUOYADRTH-HNNXBMFYSA-N 1 0 307.394 0.628 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1C[NH3+] ZINC001332891381 951838834 /nfs/dbraw/zinc/83/88/34/951838834.db2.gz BPTVICPBVXCMKX-NEPJUHHUSA-N 1 0 317.389 0.678 20 10 DCCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001333430021 952056769 /nfs/dbraw/zinc/05/67/69/952056769.db2.gz FCYLFPQZOCYWNY-AULYBMBSSA-N 1 0 317.389 0.868 20 10 DCCDRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001275821011 952478260 /nfs/dbraw/zinc/47/82/60/952478260.db2.gz FOFASQWJWLCVJQ-UONOGXRCSA-N 1 0 319.405 0.692 20 10 DCCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001335391816 952530615 /nfs/dbraw/zinc/53/06/15/952530615.db2.gz KWQAPVMWPKNAAL-AWEZNQCLSA-N 1 0 319.405 0.807 20 10 DCCDRO CN(C)C(=O)CN1CC2(C1)C[NH+](Cc1ccc(O)cc1O)C2 ZINC001275949846 952554390 /nfs/dbraw/zinc/55/43/90/952554390.db2.gz LXCBWFUHUBVOKH-UHFFFAOYSA-N 1 0 305.378 0.304 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCON)[NH+](C)C)cc1 ZINC001335688414 952583621 /nfs/dbraw/zinc/58/36/21/952583621.db2.gz FGOKPOOYYIGIFP-HNNXBMFYSA-N 1 0 323.441 0.935 20 10 DCCDRO Cc1c(O)ccc(C[NH+]2CC3(CN(CC(=O)N(C)C)C3)C2)c1O ZINC001276118348 952920302 /nfs/dbraw/zinc/92/03/02/952920302.db2.gz YENRKVWPZZWFPS-UHFFFAOYSA-N 1 0 319.405 0.612 20 10 DCCDRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)[N@H+](C)C1CC1 ZINC001341758793 953248806 /nfs/dbraw/zinc/24/88/06/953248806.db2.gz QFUJXOWVJXKCOM-LBPRGKRZSA-N 1 0 319.405 0.950 20 10 DCCDRO C[S@](=O)C1(C(=O)NCc2c(O)cccc2F)CC[NH2+]CC1 ZINC001341765118 953249792 /nfs/dbraw/zinc/24/97/92/953249792.db2.gz LOHZIEGVTMXFEF-NRFANRHFSA-N 1 0 314.382 0.648 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[NH2+]CCN2C)cc1 ZINC001342060702 953267684 /nfs/dbraw/zinc/26/76/84/953267684.db2.gz RYUIGCCAJXSEMY-MRXNPFEDSA-N 1 0 320.437 0.493 20 10 DCCDRO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC001346768833 953957130 /nfs/dbraw/zinc/95/71/30/953957130.db2.gz ZWAUOALATXAJBM-FZMZJTMJSA-N 1 0 324.400 0.965 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC([NH2+]C2CCOCC2)C1 ZINC001455800794 1009978959 /nfs/dbraw/zinc/97/89/59/1009978959.db2.gz SENFMWGQSUNOBE-UHFFFAOYSA-N 1 0 306.362 0.620 20 10 DCCDRO COCC[N@@H+]1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001544127153 1012532432 /nfs/dbraw/zinc/53/24/32/1012532432.db2.gz OYNVHOOHAPBJQD-UHFFFAOYSA-N 1 0 308.378 0.821 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1F ZINC001461516850 1013024847 /nfs/dbraw/zinc/02/48/47/1013024847.db2.gz UPHHUDVQALEYBT-CQSZACIVSA-N 1 0 316.398 0.531 20 10 DCCDRO CC1CC[NH+](CCCNC=C2C(=O)N(C)C(=O)N(C)C2=O)CC1 ZINC000052536902 183863186 /nfs/dbraw/zinc/86/31/86/183863186.db2.gz MWGKJTJURPGHOG-UHFFFAOYSA-N 1 0 322.409 0.632 20 10 DCCDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000270989020 395829286 /nfs/dbraw/zinc/82/92/86/395829286.db2.gz BCUPPFOMIGKCDL-GFCCVEGCSA-N 1 0 308.378 0.725 20 10 DCCDRO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)CC1 ZINC000109769671 395799334 /nfs/dbraw/zinc/79/93/34/395799334.db2.gz ACOMOWKMJZQBRV-ZDUSSCGKSA-N 1 0 319.405 0.903 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000120225594 415759355 /nfs/dbraw/zinc/75/93/55/415759355.db2.gz QHCLWJVEYOLCKN-AWEZNQCLSA-N 1 0 319.405 0.761 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](N)CC[NH+](C)C ZINC000653123830 418032618 /nfs/dbraw/zinc/03/26/18/418032618.db2.gz JELYZFMSDDVCDW-CYBMUJFWSA-N 1 0 306.410 0.757 20 10 DCCDRO O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000925789990 661070853 /nfs/dbraw/zinc/07/08/53/661070853.db2.gz ZPANPZBCAQNBGH-CHWSQXEVSA-N 1 0 310.419 0.746 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)c2cn(C)nn2)[NH+](C)C)cc1 ZINC000891247896 658081882 /nfs/dbraw/zinc/08/18/82/658081882.db2.gz LFFXFIOGZMZNML-HNNXBMFYSA-N 1 0 316.409 0.914 20 10 DCCDRO NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021116480 658774494 /nfs/dbraw/zinc/77/44/94/658774494.db2.gz IOQZWGGVXOIQDJ-XYPYZODXSA-N 1 0 318.337 0.185 20 10 DCCDRO CN(CC[NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892940428 659526403 /nfs/dbraw/zinc/52/64/03/659526403.db2.gz WNDFCUDFCTYLFO-UHFFFAOYSA-N 1 0 305.426 0.539 20 10 DCCDRO COCC[NH2+]CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000237140328 661931671 /nfs/dbraw/zinc/93/16/71/661931671.db2.gz WHEUVEPUKMQTDV-UHFFFAOYSA-N 1 0 321.421 0.718 20 10 DCCDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000894419583 661966882 /nfs/dbraw/zinc/96/68/82/661966882.db2.gz SWSNYMSMHZWNQP-UHFFFAOYSA-N 1 0 313.423 0.497 20 10 DCCDRO CNC(=O)C1([NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000895885361 662226124 /nfs/dbraw/zinc/22/61/24/662226124.db2.gz VUUZEXFMLAGVKL-UHFFFAOYSA-N 1 0 308.334 0.506 20 10 DCCDRO COc1ccc(O)c(CNC(=O)NCCOCC[NH+](C)C)c1 ZINC000788016352 662246102 /nfs/dbraw/zinc/24/61/02/662246102.db2.gz FKWZCCZMVGFQCJ-UHFFFAOYSA-N 1 0 311.382 0.778 20 10 DCCDRO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000902522640 663417974 /nfs/dbraw/zinc/41/79/74/663417974.db2.gz GEMHMBHQBOLXGF-LLVKDONJSA-N 1 0 310.419 0.991 20 10 DCCDRO [NH3+][C@]1(CO)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000904402823 663512333 /nfs/dbraw/zinc/51/23/33/663512333.db2.gz TYFNKUFVOPLBIE-QGZVFWFLSA-N 1 0 323.412 0.948 20 10 DCCDRO COc1nn(C)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000906091505 663599060 /nfs/dbraw/zinc/59/90/60/663599060.db2.gz HTSYXSKMRBPUBH-AWEZNQCLSA-N 1 0 317.393 0.925 20 10 DCCDRO Nc1ccc(CCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)cc1 ZINC000911782736 664108452 /nfs/dbraw/zinc/10/84/52/664108452.db2.gz LYNYWDUNSFMQJU-UHFFFAOYSA-N 1 0 302.378 0.826 20 10 DCCDRO CCN1C(=O)C(=CNNc2cccc[nH+]2)C(=O)N(CC)C1=S ZINC000029009453 664199100 /nfs/dbraw/zinc/19/91/00/664199100.db2.gz UEOZCOBGCJATJV-UHFFFAOYSA-N 1 0 319.390 0.878 20 10 DCCDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922535984 666477730 /nfs/dbraw/zinc/47/77/30/666477730.db2.gz YBXFKIDPMWGSIO-QGZVFWFLSA-N 1 0 306.406 0.794 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713161 666963571 /nfs/dbraw/zinc/96/35/71/666963571.db2.gz AFTFPPRDPKUQST-BALMKSLISA-N 1 0 318.373 0.779 20 10 DCCDRO COc1ccc(N2CCN(C[C@H]3C[NH2+]CCO3)CC2)c(OC)c1 ZINC000866697165 667388166 /nfs/dbraw/zinc/38/81/66/667388166.db2.gz INECXEFQTFKBSI-OAHLLOKOSA-N 1 0 321.421 0.814 20 10 DCCDRO C[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1O ZINC000866814203 667401780 /nfs/dbraw/zinc/40/17/80/667401780.db2.gz MXGKGHFBIMPELT-GHMZBOCLSA-N 1 0 300.380 0.361 20 10 DCCDRO CONC(=O)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000872792332 667939783 /nfs/dbraw/zinc/93/97/83/667939783.db2.gz SMGTYAUJCNONGL-CQSZACIVSA-N 1 0 322.361 0.708 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762577993 668367941 /nfs/dbraw/zinc/36/79/41/668367941.db2.gz ZFIJWADXHFSNJU-INIZCTEOSA-N 1 0 306.410 0.618 20 10 DCCDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876523491 668460818 /nfs/dbraw/zinc/46/08/18/668460818.db2.gz YBOYFNSGMPDDIB-AWEZNQCLSA-N 1 0 303.406 0.955 20 10 DCCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C2)cc1 ZINC000876931505 668538133 /nfs/dbraw/zinc/53/81/33/668538133.db2.gz NQWXJDQKZNCJKX-CJNGLKHVSA-N 1 0 320.437 0.527 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C2)cc1 ZINC000876959836 668543104 /nfs/dbraw/zinc/54/31/04/668543104.db2.gz PZQRAIIQQOGEEU-WFASDCNBSA-N 1 0 306.410 0.279 20 10 DCCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC000877570088 668629849 /nfs/dbraw/zinc/62/98/49/668629849.db2.gz GLWABKDLQKUEJW-IAGOWNOFSA-N 1 0 306.406 0.839 20 10 DCCDRO CC(=O)NCC(=O)N1CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000877655627 668636808 /nfs/dbraw/zinc/63/68/08/668636808.db2.gz FRMJDLCLZRJZKU-UHFFFAOYSA-N 1 0 319.405 0.871 20 10 DCCDRO COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775371958 668861585 /nfs/dbraw/zinc/86/15/85/668861585.db2.gz WCHHWCDMTXSTCP-JTQLQIEISA-N 1 0 310.350 0.731 20 10 DCCDRO Cc1cc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)ccc1N(C)C ZINC000878972545 668958204 /nfs/dbraw/zinc/95/82/04/668958204.db2.gz ITEBOLBBXHWRLJ-CHWSQXEVSA-N 1 0 304.394 0.080 20 10 DCCDRO CC[N@H+](C)C[C@@H](O)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881418522 669339465 /nfs/dbraw/zinc/33/94/65/669339465.db2.gz GYMMEQRFFPVBGH-CQSZACIVSA-N 1 0 305.382 0.752 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCC(N)=O)cc2)CC1 ZINC000881852079 669399348 /nfs/dbraw/zinc/39/93/48/669399348.db2.gz WHEWZBQPVJMGIT-UHFFFAOYSA-N 1 0 318.421 0.710 20 10 DCCDRO Cn1ccn2c(CN3CCCc4cc(C[NH3+])ccc43)nnc2c1=O ZINC000883417435 669682444 /nfs/dbraw/zinc/68/24/44/669682444.db2.gz ZYPMIPNTDSFUMB-UHFFFAOYSA-N 1 0 324.388 0.840 20 10 DCCDRO COCC[N@H+](C)CCNC(=O)NCc1ccc(OC)cc1O ZINC000792913584 669691588 /nfs/dbraw/zinc/69/15/88/669691588.db2.gz MGLKWFGVNCWDQU-UHFFFAOYSA-N 1 0 311.382 0.778 20 10 DCCDRO COc1ccc(CNC(=O)NCCOCC[NH+](C)C)c(O)c1 ZINC000793182681 669706229 /nfs/dbraw/zinc/70/62/29/669706229.db2.gz NCWKOCFMJAGUIE-UHFFFAOYSA-N 1 0 311.382 0.778 20 10 DCCDRO COc1cccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1O ZINC000800892116 670104600 /nfs/dbraw/zinc/10/46/00/670104600.db2.gz WEZINBNYBNCPTD-UHFFFAOYSA-N 1 0 300.380 0.571 20 10 DCCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352877 670552641 /nfs/dbraw/zinc/55/26/41/670552641.db2.gz MBBPXMGYNKBDPT-MFBWXBCUSA-N 1 0 317.389 0.617 20 10 DCCDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000848613171 670705439 /nfs/dbraw/zinc/70/54/39/670705439.db2.gz FDJWMNHSLNEIMR-OTVXOJSOSA-N 1 0 318.421 0.384 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856253245 670798501 /nfs/dbraw/zinc/79/85/01/670798501.db2.gz IOBDSUYLWNNTDY-LBPRGKRZSA-N 1 0 306.362 0.769 20 10 DCCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000817914237 670952714 /nfs/dbraw/zinc/95/27/14/670952714.db2.gz TVXYDTPTDZOTJW-HNNXBMFYSA-N 1 0 318.421 0.480 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)COC3(C)C[NH2+]C3)C2)cc1 ZINC000851640163 671002548 /nfs/dbraw/zinc/00/25/48/671002548.db2.gz RMALJVXJGNVPQZ-ZDUSSCGKSA-N 1 0 319.405 0.769 20 10 DCCDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851669257 671009293 /nfs/dbraw/zinc/00/92/93/671009293.db2.gz ZDLGDHZVHPPENW-GFCCVEGCSA-N 1 0 306.410 0.794 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000851684424 671012579 /nfs/dbraw/zinc/01/25/79/671012579.db2.gz BFCYHCFGBJYHDW-ZIAGYGMSSA-N 1 0 322.384 0.267 20 10 DCCDRO NC(=O)CC[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968813 671080925 /nfs/dbraw/zinc/08/09/25/671080925.db2.gz YFSCQTCEILRFQE-CYBMUJFWSA-N 1 0 304.394 0.353 20 10 DCCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CNCCO1 ZINC000852746280 671155251 /nfs/dbraw/zinc/15/52/51/671155251.db2.gz LAQVEMQTPTYEDB-KRWDZBQOSA-N 1 0 305.422 0.943 20 10 DCCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000852760318 671158160 /nfs/dbraw/zinc/15/81/60/671158160.db2.gz CVGSGRPJFSLWJQ-HUUCEWRRSA-N 1 0 308.401 0.740 20 10 DCCDRO CN(C)c1ccc(C[NH+]2CCC(NS(N)(=O)=O)CC2)cc1 ZINC000859957942 671163038 /nfs/dbraw/zinc/16/30/38/671163038.db2.gz LXMXHNTZKDCLEQ-UHFFFAOYSA-N 1 0 312.439 0.510 20 10 DCCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000852843674 671171798 /nfs/dbraw/zinc/17/17/98/671171798.db2.gz DTHWIKMBVIWXTL-DOMZBBRYSA-N 1 0 305.378 0.379 20 10 DCCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC(=O)N1 ZINC000824908943 671443429 /nfs/dbraw/zinc/44/34/29/671443429.db2.gz FZMWCXJMBGJLSP-AWEZNQCLSA-N 1 0 302.422 0.759 20 10 DCCDRO CC(=O)N1CCN(c2ccc(CNC(=O)CCC[NH3+])cc2)CC1 ZINC000832173651 671706907 /nfs/dbraw/zinc/70/69/07/671706907.db2.gz TYVWGEBJGOIWRW-UHFFFAOYSA-N 1 0 318.421 0.710 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2coc(C(N)=O)c2)cc1 ZINC000832284686 671713430 /nfs/dbraw/zinc/71/34/30/671713430.db2.gz MCRXDIBECFQNBF-ZDUSSCGKSA-N 1 0 316.361 0.874 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000841654977 671947064 /nfs/dbraw/zinc/94/70/64/671947064.db2.gz QSUDWYIKXYFRFY-UHFFFAOYSA-N 1 0 319.453 0.847 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc1F ZINC000841762369 671953003 /nfs/dbraw/zinc/95/30/03/671953003.db2.gz WTMJKKUCQYNANC-GFCCVEGCSA-N 1 0 310.373 0.679 20 10 DCCDRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000841831754 671958475 /nfs/dbraw/zinc/95/84/75/671958475.db2.gz DMKLODIPCQKDIB-INIZCTEOSA-N 1 0 316.405 0.932 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000842035007 671977334 /nfs/dbraw/zinc/97/73/34/671977334.db2.gz BCFCPEZVCQJVBV-UHFFFAOYSA-N 1 0 318.421 0.566 20 10 DCCDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000842035741 671977665 /nfs/dbraw/zinc/97/76/65/671977665.db2.gz ICCPHNNJHVZWIT-AWEZNQCLSA-N 1 0 320.437 0.858 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000842153581 671986802 /nfs/dbraw/zinc/98/68/02/671986802.db2.gz NOLMZYWKQBABEP-UHFFFAOYSA-N 1 0 304.394 0.109 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000842153822 671987057 /nfs/dbraw/zinc/98/70/57/671987057.db2.gz QJCCLVNEZGVFHU-CQSZACIVSA-N 1 0 318.421 0.627 20 10 DCCDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842201767 671993326 /nfs/dbraw/zinc/99/33/26/671993326.db2.gz BPKIAZDZGKQIIX-ZDUSSCGKSA-N 1 0 320.437 0.998 20 10 DCCDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000842201766 671993539 /nfs/dbraw/zinc/99/35/39/671993539.db2.gz BPKIAZDZGKQIIX-CYBMUJFWSA-N 1 0 320.437 0.998 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842202820 671993956 /nfs/dbraw/zinc/99/39/56/671993956.db2.gz LWBBMOURIHRBIE-AAEUAGOBSA-N 1 0 304.394 0.489 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000842201817 671994131 /nfs/dbraw/zinc/99/41/31/671994131.db2.gz CUOGYYUZRUPBGI-ZDUSSCGKSA-N 1 0 318.421 0.752 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000842208435 671994714 /nfs/dbraw/zinc/99/47/14/671994714.db2.gz UPLMHCUPVZZQPM-CQSZACIVSA-N 1 0 318.421 0.709 20 10 DCCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842214346 671995913 /nfs/dbraw/zinc/99/59/13/671995913.db2.gz PQFISLFKKMZZBL-ZDUSSCGKSA-N 1 0 318.421 0.709 20 10 DCCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH3+] ZINC000842222895 671996289 /nfs/dbraw/zinc/99/62/89/671996289.db2.gz VTLULVWNNIXDTK-UHFFFAOYSA-N 1 0 320.437 0.955 20 10 DCCDRO CCOc1ccc(O)c(CN(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000843046757 672056090 /nfs/dbraw/zinc/05/60/90/672056090.db2.gz AXUVTGQANQNWSG-UHFFFAOYSA-N 1 0 307.394 0.655 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844171493 672156781 /nfs/dbraw/zinc/15/67/81/672156781.db2.gz WETSZUHIJOUGFP-BMFZPTHFSA-N 1 0 301.390 0.890 20 10 DCCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000844173980 672157395 /nfs/dbraw/zinc/15/73/95/672157395.db2.gz HHTGPEUZBXCFGJ-UHFFFAOYSA-N 1 0 323.418 0.029 20 10 DCCDRO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000844224898 672166076 /nfs/dbraw/zinc/16/60/76/672166076.db2.gz KNLQRAONPAMSAR-CZUORRHYSA-N 1 0 304.438 0.990 20 10 DCCDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846150623 672297619 /nfs/dbraw/zinc/29/76/19/672297619.db2.gz KNFJJMXFTYHILL-JTQLQIEISA-N 1 0 302.396 0.991 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)NCCC[NH3+])cc1 ZINC000846344125 672308523 /nfs/dbraw/zinc/30/85/23/672308523.db2.gz OHMKAHDJPAMWTO-UHFFFAOYSA-N 1 0 322.409 0.055 20 10 DCCDRO CN(C)c1ccc(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000844779355 685368342 /nfs/dbraw/zinc/36/83/42/685368342.db2.gz GNNLFUZEYOBECR-MRXNPFEDSA-N 1 0 318.421 0.713 20 10 DCCDRO COC[C@H]1C(=O)N[C@@H](c2ccc(N3CC[NH+](C)CC3)cc2)N1C ZINC000840834066 685363504 /nfs/dbraw/zinc/36/35/04/685363504.db2.gz UULMGZRBXNKEKH-JKSUJKDBSA-N 1 0 318.421 0.514 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2nnc[nH]2)cc1C ZINC001571443313 1162759647 /nfs/dbraw/zinc/75/96/47/1162759647.db2.gz NGHCEUAKVLRIHJ-GFCCVEGCSA-N 1 0 319.365 0.002 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(OC)c1 ZINC001141027035 1159065199 /nfs/dbraw/zinc/06/51/99/1159065199.db2.gz LAYWEIWDNGAKPI-PWSUYJOCSA-N 1 0 306.362 0.929 20 10 DCCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]([NH3+])CCC(N)=O ZINC001573876673 1163575215 /nfs/dbraw/zinc/57/52/15/1163575215.db2.gz OEJQZLVGULAIRP-HNNXBMFYSA-N 1 0 318.421 0.838 20 10 DCCDRO C[N@@H+]1CCN(CCNC(=O)Cc2ccc(O)c(O)c2)CC1(C)C ZINC001633922605 1171655404 /nfs/dbraw/zinc/65/54/04/1171655404.db2.gz JGWIZVYQEHIGOQ-UHFFFAOYSA-N 1 0 321.421 0.783 20 10 DCCDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001643209256 1171969385 /nfs/dbraw/zinc/96/93/85/1171969385.db2.gz ZLRBRDUZEHVMMD-HNNXBMFYSA-N 1 0 319.365 0.988 20 10 DCCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001657228927 1173910013 /nfs/dbraw/zinc/91/00/13/1173910013.db2.gz HXWFLNQCHYZXLG-GFCCVEGCSA-N 1 0 314.407 0.833 20 10 DCCDRO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001657689356 1173916342 /nfs/dbraw/zinc/91/63/42/1173916342.db2.gz AYMUGEUSFCGPEP-NSHDSACASA-N 1 0 309.366 0.913 20 10 DCCDRO COc1cc(C)c(C[NH2+]C[C@]2(OCCO)CCOC2)c(O)c1 ZINC001660249296 1173966095 /nfs/dbraw/zinc/96/60/95/1173966095.db2.gz RIZMQEGDYNPLJA-MRXNPFEDSA-N 1 0 311.378 0.967 20 10 DCCDRO CC(C)[NH2+][C@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001700808483 1178758497 /nfs/dbraw/zinc/75/84/97/1178758497.db2.gz PZQMZDIJXSZBQU-LBPRGKRZSA-N 1 0 307.354 0.938 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CNC(C)=O)cc1C ZINC001714369514 1181338543 /nfs/dbraw/zinc/33/85/43/1181338543.db2.gz HREQBVCJFJYLQF-LBPRGKRZSA-N 1 0 321.421 0.982 20 10 DCCDRO COc1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c1O ZINC000697271701 749521817 /nfs/dbraw/zinc/52/18/17/749521817.db2.gz YVASWVFPMBXRQM-CMPLNLGQSA-N 1 0 301.364 0.302 20 10 DCCDRO O=C(NCCc1ccc(O)c(O)c1)C1C[NH+](C2CCOCC2)C1 ZINC000827764448 758883065 /nfs/dbraw/zinc/88/30/65/758883065.db2.gz VSMXHMRKQSCCIA-UHFFFAOYSA-N 1 0 320.389 0.867 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O)cc1C ZINC001135344470 765891345 /nfs/dbraw/zinc/89/13/45/765891345.db2.gz KXLUEEIDZSQQJG-NWDGAFQWSA-N 1 0 307.394 0.862 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001120541981 767070747 /nfs/dbraw/zinc/07/07/47/767070747.db2.gz DFBKWIPBACRXSU-FRRDWIJNSA-N 1 0 303.362 0.360 20 10 DCCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c1O ZINC001140744264 768544751 /nfs/dbraw/zinc/54/47/51/768544751.db2.gz RJPIFXAACWIZGX-UHFFFAOYSA-N 1 0 306.362 0.887 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@@H]1[NH3+] ZINC001236361920 770008179 /nfs/dbraw/zinc/00/81/79/770008179.db2.gz YBHJDKGHVCXWCE-SCZZXKLOSA-N 1 0 300.742 0.683 20 10 DCCDRO O=C(N1CCCc2cc(O)c(O)cc2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160924283 772138614 /nfs/dbraw/zinc/13/86/14/772138614.db2.gz HHBQDCPRPVBLTM-GUYCJALGSA-N 1 0 317.389 0.324 20 10 DCCDRO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)CC[NH2+]1 ZINC001161026377 772152810 /nfs/dbraw/zinc/15/28/10/772152810.db2.gz FWYSJAPJEUOMAF-MRVPVSSYSA-N 1 0 304.302 0.638 20 10 DCCDRO COc1ccc(C[NH2+]CCCNC(=O)c2nnn(C)n2)cc1C ZINC001164158119 772618784 /nfs/dbraw/zinc/61/87/84/772618784.db2.gz RCVXMGRGMGMECI-UHFFFAOYSA-N 1 0 318.381 0.437 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)CN1 ZINC001218175588 774214770 /nfs/dbraw/zinc/21/47/70/774214770.db2.gz COGKCQIIGXVFRT-CABCVRRESA-N 1 0 305.378 0.379 20 10 DCCDRO CN1C[C@@H]2COC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001270703649 940970341 /nfs/dbraw/zinc/97/03/41/940970341.db2.gz PPZXJOPWTHKCSU-AYKMPCHXSA-N 1 0 304.346 0.652 20 10 DCCDRO NC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)C[C@H]2CCCO[C@H]21 ZINC001276913634 944591347 /nfs/dbraw/zinc/59/13/47/944591347.db2.gz HEWMQUYBZUOOSE-TYNCELHUSA-N 1 0 306.362 0.810 20 10 DCCDRO NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001277408254 944809534 /nfs/dbraw/zinc/80/95/34/944809534.db2.gz MYCFERHSCKKPPK-WMLDXEAASA-N 1 0 301.390 0.973 20 10 DCCDRO Cn1nnnc1NC(=O)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001277441522 944819439 /nfs/dbraw/zinc/81/94/39/944819439.db2.gz MYKPPZGRTNHJRE-UHFFFAOYSA-N 1 0 314.349 0.567 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)c1 ZINC001249207381 945623244 /nfs/dbraw/zinc/62/32/44/945623244.db2.gz FGVHSJNPRUTQOI-GXTWGEPZSA-N 1 0 318.373 0.676 20 10 DCCDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC001462390736 1013065451 /nfs/dbraw/zinc/06/54/51/1013065451.db2.gz WZNLAXDPHVFLGE-JTQLQIEISA-N 1 0 309.322 0.877 20 10 DCCDRO CN1C[C@@]2(CC[N@H+](Cc3cc(O)c(O)cc3O)C2)OCC1=O ZINC001273842892 948477684 /nfs/dbraw/zinc/47/76/84/948477684.db2.gz JIHAEYCLYJCLCP-OAHLLOKOSA-N 1 0 308.334 0.237 20 10 DCCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1=O ZINC001273843982 948485818 /nfs/dbraw/zinc/48/58/18/948485818.db2.gz WSKYPZWAFULCRO-MRXNPFEDSA-N 1 0 320.345 0.774 20 10 DCCDRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331156590 950973794 /nfs/dbraw/zinc/97/37/94/950973794.db2.gz XUESBYWELDOJQG-NSHDSACASA-N 1 0 303.362 0.350 20 10 DCCDRO [NH3+]CC1(CCNC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001331204190 951016714 /nfs/dbraw/zinc/01/67/14/951016714.db2.gz HSWWJCMNICSMFY-UHFFFAOYSA-N 1 0 303.362 0.480 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)OC)cc1C ZINC001331680342 951240005 /nfs/dbraw/zinc/24/00/05/951240005.db2.gz BQESOMSQHKQUOO-JSGCOSHPSA-N 1 0 310.394 0.605 20 10 DCCDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001331831160 951345529 /nfs/dbraw/zinc/34/55/29/951345529.db2.gz CEXHAMSUJBNWSX-CYBMUJFWSA-N 1 0 305.378 0.561 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC/C=C\C[NH2+]CCO)cc1 ZINC001274631205 951751593 /nfs/dbraw/zinc/75/15/93/951751593.db2.gz JBGZAWRPEBQTEN-HZDAMDODSA-N 1 0 305.338 0.717 20 10 DCCDRO COc1ccc(N2CC3(C2)COCC(=O)N3CC[NH+](C)C)cc1 ZINC001274792321 951842534 /nfs/dbraw/zinc/84/25/34/951842534.db2.gz ZYOAXIUJNHNQMJ-UHFFFAOYSA-N 1 0 319.405 0.674 20 10 DCCDRO COCCOCN1C[C@H]2C[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001275418370 952134555 /nfs/dbraw/zinc/13/45/55/952134555.db2.gz CAGLJWHBIWWEDP-OKILXGFUSA-N 1 0 308.378 0.977 20 10 DCCDRO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001275419107 952135187 /nfs/dbraw/zinc/13/51/87/952135187.db2.gz QRNGKYAPWXCBEI-GJZGRUSLSA-N 1 0 319.405 0.835 20 10 DCCDRO C[NH+](C)CCN1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H](C1)O2 ZINC001275821247 952477588 /nfs/dbraw/zinc/47/75/88/952477588.db2.gz LLJYWEGVCLDWBE-GASCZTMLSA-N 1 0 321.421 0.544 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001336293011 952672101 /nfs/dbraw/zinc/67/21/01/952672101.db2.gz BIIJFWYXISNJTG-KRWDZBQOSA-N 1 0 317.389 0.705 20 10 DCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCF)CC2)cc1 ZINC001336754198 952760894 /nfs/dbraw/zinc/76/08/94/952760894.db2.gz CFJSCUVREQBSAL-OAHLLOKOSA-N 1 0 311.401 0.737 20 10 DCCDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@H](CO)C2=O)[NH+](C)C)cc1 ZINC001336935423 952786055 /nfs/dbraw/zinc/78/60/55/952786055.db2.gz PLWVCGYLGZYUEE-KGLIPLIRSA-N 1 0 320.393 0.268 20 10 DCCDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@H](CO)C2=O)[NH+](C)C)cc1 ZINC001336935428 952786412 /nfs/dbraw/zinc/78/64/12/952786412.db2.gz PLWVCGYLGZYUEE-ZIAGYGMSSA-N 1 0 320.393 0.268 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340242629 953156533 /nfs/dbraw/zinc/15/65/33/953156533.db2.gz UOYPQSXKQRYBFX-KRWDZBQOSA-N 1 0 319.405 0.983 20 10 DCCDRO [NH3+]C[C@@H](O)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001340319037 953161424 /nfs/dbraw/zinc/16/14/24/953161424.db2.gz FOWBLLJOZRHFRI-KBPBESRZSA-N 1 0 308.378 0.610 20 10 DCCDRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)Cc1ccccc1O ZINC001341465066 953232109 /nfs/dbraw/zinc/23/21/09/953232109.db2.gz FRUQPMVTDBWPCR-HNNXBMFYSA-N 1 0 307.394 0.840 20 10 DCCDRO CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001341570659 953238247 /nfs/dbraw/zinc/23/82/47/953238247.db2.gz ICEQDIFQHDMZEQ-MRXNPFEDSA-N 1 0 302.422 0.807 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2COC(=O)C2)cc1 ZINC001345810673 953738784 /nfs/dbraw/zinc/73/87/84/953738784.db2.gz FBKNERAJEBHBHV-FZMZJTMJSA-N 1 0 305.378 0.822 20 10 DCCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001353309327 956014476 /nfs/dbraw/zinc/01/44/76/956014476.db2.gz JWJXCZSFXJYQMJ-QWHCGFSZSA-N 1 0 303.362 0.491 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)c1 ZINC001308984150 960185947 /nfs/dbraw/zinc/18/59/47/960185947.db2.gz LCWLLYGPCXIPGK-WMLDXEAASA-N 1 0 322.405 0.716 20 10 DCCDRO O=C(c1cccc(O)c1O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001464675669 1015934974 /nfs/dbraw/zinc/93/49/74/1015934974.db2.gz YZULMCKPWWWCIV-CHWSQXEVSA-N 1 0 306.362 0.769 20 10 DCCDRO CC[NH+]1CCN(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)CC1 ZINC001558538149 1012364708 /nfs/dbraw/zinc/36/47/08/1012364708.db2.gz XFGNKQGUBCGEJK-UHFFFAOYSA-N 1 0 319.405 0.489 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000372737385 533478768 /nfs/dbraw/zinc/47/87/68/533478768.db2.gz IHITXFOXLXOZDG-NSHDSACASA-N 1 0 300.380 0.654 20 10 DCCDRO C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N1CCN(C)CC1 ZINC000273170083 130094160 /nfs/dbraw/zinc/09/41/60/130094160.db2.gz MHAUQYZROIOILV-QWHCGFSZSA-N 1 0 321.421 0.781 20 10 DCCDRO CC(C)[C@@](C)([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(N)=O ZINC000298478692 132064596 /nfs/dbraw/zinc/06/45/96/132064596.db2.gz IZMPFYVUBFELBJ-QGZVFWFLSA-N 1 0 320.437 0.858 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CCOC1)cc2=O ZINC000264472404 396282905 /nfs/dbraw/zinc/28/29/05/396282905.db2.gz YBSCNCNXTBNMEN-NSHDSACASA-N 1 0 320.349 0.832 20 10 DCCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000192655484 396435101 /nfs/dbraw/zinc/43/51/01/396435101.db2.gz YQQRLXLSCWHKPW-MRXNPFEDSA-N 1 0 302.378 0.927 20 10 DCCDRO COc1cccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292790278 415847816 /nfs/dbraw/zinc/84/78/16/415847816.db2.gz MIXGHUUBGWCFSQ-LBPRGKRZSA-N 1 0 314.407 0.867 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000131208767 524411167 /nfs/dbraw/zinc/41/11/67/524411167.db2.gz YGXDZYXAZKJREN-CQSZACIVSA-N 1 0 321.421 0.656 20 10 DCCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1 ZINC000180372308 524735488 /nfs/dbraw/zinc/73/54/88/524735488.db2.gz CBIFKJJHVYJPDN-AWEZNQCLSA-N 1 0 310.394 0.526 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000372734272 524738653 /nfs/dbraw/zinc/73/86/53/524738653.db2.gz BOSINSLYNGCWMB-GFCCVEGCSA-N 1 0 300.380 0.654 20 10 DCCDRO CCNC(=O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250017 658085771 /nfs/dbraw/zinc/08/57/71/658085771.db2.gz XWTLHMGGRMGOQA-OAHLLOKOSA-N 1 0 320.437 0.998 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)CNC(N)=O)[NH+](C)C)cc1 ZINC000891258388 658096151 /nfs/dbraw/zinc/09/61/51/658096151.db2.gz REQPKGHJESCLTI-ZDUSSCGKSA-N 1 0 307.398 0.140 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+](CCO)C2)cc1 ZINC001029013972 661933998 /nfs/dbraw/zinc/93/39/98/661933998.db2.gz MWRJGVXPUQRUHW-LLVKDONJSA-N 1 0 319.365 0.893 20 10 DCCDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895323420 662168925 /nfs/dbraw/zinc/16/89/25/662168925.db2.gz CLWWBHLBAOMGSB-QZTJIDSGSA-N 1 0 320.433 0.965 20 10 DCCDRO COc1cccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1O ZINC000896118527 662243152 /nfs/dbraw/zinc/24/31/52/662243152.db2.gz YILJYICRDWPVMQ-CYBMUJFWSA-N 1 0 306.362 0.738 20 10 DCCDRO COc1cccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1O ZINC000896118528 662243395 /nfs/dbraw/zinc/24/33/95/662243395.db2.gz YILJYICRDWPVMQ-ZDUSSCGKSA-N 1 0 306.362 0.738 20 10 DCCDRO COC[C@@H]1C[NH2+]CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000903875033 663491147 /nfs/dbraw/zinc/49/11/47/663491147.db2.gz CFILRAFUBXZPRN-INIZCTEOSA-N 1 0 320.437 0.289 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000910999546 663969372 /nfs/dbraw/zinc/96/93/72/663969372.db2.gz MDHGKDQUYLKFSE-JOCQHMNTSA-N 1 0 304.394 0.222 20 10 DCCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)C(N)=O)CC2)cc1C ZINC000998026547 665388707 /nfs/dbraw/zinc/38/87/07/665388707.db2.gz ARHPOUHCAHZQRV-UHFFFAOYSA-N 1 0 319.405 0.817 20 10 DCCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)CS(C)(=O)=O)cc1 ZINC000922822917 666535613 /nfs/dbraw/zinc/53/56/13/666535613.db2.gz KEBSBSLSXKQSDC-RGDDUWESSA-N 1 0 312.435 0.761 20 10 DCCDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000861751767 666972781 /nfs/dbraw/zinc/97/27/81/666972781.db2.gz YQCUYRNNDOHZPD-UHFFFAOYSA-N 1 0 306.410 0.484 20 10 DCCDRO COc1cccc(C[NH+]2CCN(c3nccnn3)CC2)c1O ZINC000862437420 667044230 /nfs/dbraw/zinc/04/42/30/667044230.db2.gz SBSFWGVAHWKRPK-UHFFFAOYSA-N 1 0 301.350 0.908 20 10 DCCDRO O=C1OC[C@]2(C[NH2+]Cc3ccc4c(c3)CCO4)COCCN12 ZINC000865768330 667344833 /nfs/dbraw/zinc/34/48/33/667344833.db2.gz GOXPPTCGBQVPMT-INIZCTEOSA-N 1 0 304.346 0.932 20 10 DCCDRO COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884398191 667537315 /nfs/dbraw/zinc/53/73/15/667537315.db2.gz XYGKMUMWELVHKK-IUODEOHRSA-N 1 0 307.394 0.754 20 10 DCCDRO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000868235679 667545930 /nfs/dbraw/zinc/54/59/30/667545930.db2.gz DSFWWPXMQSBFQQ-QWHCGFSZSA-N 1 0 306.410 0.998 20 10 DCCDRO C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988093 667782170 /nfs/dbraw/zinc/78/21/70/667782170.db2.gz GCNQIHKMSADPOH-YPMHNXCESA-N 1 0 305.378 0.828 20 10 DCCDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1Cn1cccn1 ZINC000873130060 667974967 /nfs/dbraw/zinc/97/49/67/667974967.db2.gz XINUPSLQSDQEOZ-HUUCEWRRSA-N 1 0 303.362 0.789 20 10 DCCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000876713973 668494099 /nfs/dbraw/zinc/49/40/99/668494099.db2.gz RCKZUWDSNCSNLF-JKSUJKDBSA-N 1 0 319.405 0.598 20 10 DCCDRO CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(N)cc1 ZINC000877077487 668559190 /nfs/dbraw/zinc/55/91/90/668559190.db2.gz KJEGXMHRKUFBOJ-LBPRGKRZSA-N 1 0 304.394 0.642 20 10 DCCDRO COCC1(O)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768466308 668610375 /nfs/dbraw/zinc/61/03/75/668610375.db2.gz YLJVSFKYJRKOGW-AWEZNQCLSA-N 1 0 309.362 0.791 20 10 DCCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000769385130 668645045 /nfs/dbraw/zinc/64/50/45/668645045.db2.gz SYACGIIVXFAICX-NSHDSACASA-N 1 0 314.407 0.901 20 10 DCCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H](O)CN1CCOCC1 ZINC000769469153 668649711 /nfs/dbraw/zinc/64/97/11/668649711.db2.gz SWRLBWVEXTXBPA-ZDUSSCGKSA-N 1 0 324.377 0.246 20 10 DCCDRO CN(C)C(=O)CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647235 668866060 /nfs/dbraw/zinc/86/60/60/668866060.db2.gz SERQOBAXAYTQTL-UHFFFAOYSA-N 1 0 304.438 0.958 20 10 DCCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)NCCO)CC2)c1 ZINC000775652192 668866324 /nfs/dbraw/zinc/86/63/24/668866324.db2.gz HJSUHBZJIZGHTI-UHFFFAOYSA-N 1 0 308.378 0.721 20 10 DCCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000779609013 668919799 /nfs/dbraw/zinc/91/97/99/668919799.db2.gz OIRIUGBNSTUTHK-LLVKDONJSA-N 1 0 314.407 0.914 20 10 DCCDRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652392 669082162 /nfs/dbraw/zinc/08/21/62/669082162.db2.gz CLVNZJSLSTUVFK-MNOVXSKESA-N 1 0 309.366 0.904 20 10 DCCDRO OC[C@@H]1CC[C@@H](CO)[NH+]1Cc1ccc(N2CCOCC2)cc1 ZINC000930901986 669102887 /nfs/dbraw/zinc/10/28/87/669102887.db2.gz LQYRBAFRVXBIQE-IRXDYDNUSA-N 1 0 306.406 0.841 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCNC2=O)cc1 ZINC000884010182 669810556 /nfs/dbraw/zinc/81/05/56/669810556.db2.gz URYMGLIEPAVAFY-TZMCWYRMSA-N 1 0 304.394 0.395 20 10 DCCDRO COc1cc(O)c(C[NH2+]CCCn2cc(CO)nn2)cc1OC ZINC000811510949 670531642 /nfs/dbraw/zinc/53/16/42/670531642.db2.gz AGBMSLQNIHDYLA-UHFFFAOYSA-N 1 0 322.365 0.673 20 10 DCCDRO CCOc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c1O ZINC000850361214 670909998 /nfs/dbraw/zinc/90/99/98/670909998.db2.gz OVCZLBYQEBRNOH-YPMHNXCESA-N 1 0 315.391 0.693 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817917758 670952658 /nfs/dbraw/zinc/95/26/58/670952658.db2.gz FVAPNKMENHXNTG-UHFFFAOYSA-N 1 0 306.410 0.389 20 10 DCCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663036 671007238 /nfs/dbraw/zinc/00/72/38/671007238.db2.gz RKLSYQMZBKAWMI-GFCCVEGCSA-N 1 0 306.410 0.794 20 10 DCCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000851685642 671013674 /nfs/dbraw/zinc/01/36/74/671013674.db2.gz VAAZOMHQIQYDRJ-JTQLQIEISA-N 1 0 310.373 0.232 20 10 DCCDRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851686964 671014469 /nfs/dbraw/zinc/01/44/69/671014469.db2.gz VMIBQJOQAMKZFX-UHFFFAOYSA-N 1 0 318.421 0.710 20 10 DCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469516 671528748 /nfs/dbraw/zinc/52/87/48/671528748.db2.gz ZYIHXZDVDLFACG-AAEUAGOBSA-N 1 0 304.394 0.352 20 10 DCCDRO COc1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c(O)c1 ZINC000832178234 671707335 /nfs/dbraw/zinc/70/73/35/671707335.db2.gz ORHUSEWPMFXNEA-UHFFFAOYSA-N 1 0 302.334 0.700 20 10 DCCDRO COc1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)c(O)c1 ZINC000832178910 671707840 /nfs/dbraw/zinc/70/78/40/671707840.db2.gz ZUDXWUDHOITRGY-UHFFFAOYSA-N 1 0 319.365 0.661 20 10 DCCDRO COCCOCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280177 671713239 /nfs/dbraw/zinc/71/32/39/671713239.db2.gz NTSAJVKUQWPCEP-HNNXBMFYSA-N 1 0 309.410 0.922 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCCNC2=O)cc1 ZINC000832299548 671713912 /nfs/dbraw/zinc/71/39/12/671713912.db2.gz CTXRZZQKJTXVIT-CQSZACIVSA-N 1 0 319.409 0.284 20 10 DCCDRO Nc1ccc(CC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000834673204 671775515 /nfs/dbraw/zinc/77/55/15/671775515.db2.gz LPBJUZINHPTVKZ-HNNXBMFYSA-N 1 0 318.421 0.657 20 10 DCCDRO O=C(NCCCSc1nccs1)NC[C@@H]1C[NH2+]CCO1 ZINC000841855562 671960572 /nfs/dbraw/zinc/96/05/72/671960572.db2.gz BNFMZBABXSXDCS-JTQLQIEISA-N 1 0 316.452 0.913 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000842011175 671973124 /nfs/dbraw/zinc/97/31/24/671973124.db2.gz LZIVFMIAIHJJGI-ZYHUDNBSSA-N 1 0 309.366 0.749 20 10 DCCDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150174 671986324 /nfs/dbraw/zinc/98/63/24/671986324.db2.gz OEFKDORLMJYZJF-NSHDSACASA-N 1 0 304.394 0.149 20 10 DCCDRO C[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000842202706 671994227 /nfs/dbraw/zinc/99/42/27/671994227.db2.gz KQQWUTVVCQTEOW-GFCCVEGCSA-N 1 0 318.421 0.880 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842202189 671994229 /nfs/dbraw/zinc/99/42/29/671994229.db2.gz FFTYRICMTPBBEP-LBPRGKRZSA-N 1 0 306.410 0.608 20 10 DCCDRO CC(C)N(C)S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783673 672036757 /nfs/dbraw/zinc/03/67/57/672036757.db2.gz ASWUFMDROGTZSA-CQSZACIVSA-N 1 0 314.455 0.927 20 10 DCCDRO CO[C@H](C)CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785409 672036836 /nfs/dbraw/zinc/03/68/36/672036836.db2.gz MSGNHAQZRZDANW-RISCZKNCSA-N 1 0 315.439 0.707 20 10 DCCDRO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1O ZINC000843065538 672058264 /nfs/dbraw/zinc/05/82/64/672058264.db2.gz MXAIVYFISNVNAJ-CQSZACIVSA-N 1 0 319.405 0.797 20 10 DCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)CO)CC2)cc1 ZINC000843070963 672058873 /nfs/dbraw/zinc/05/88/73/672058873.db2.gz HMRBAFUHFHQZSY-GOEBONIOSA-N 1 0 323.437 0.149 20 10 DCCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc2c(cc1O)OCO2 ZINC000843124059 672065080 /nfs/dbraw/zinc/06/50/80/672065080.db2.gz UVRULEZBTOOQJD-LLVKDONJSA-N 1 0 308.334 0.458 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CSC(=O)N2)cc1 ZINC000843299877 672080541 /nfs/dbraw/zinc/08/05/41/672080541.db2.gz YTKUZJOZLQUJBU-RYUDHWBXSA-N 1 0 308.407 0.694 20 10 DCCDRO CCN(OC)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000843431166 672094516 /nfs/dbraw/zinc/09/45/16/672094516.db2.gz XPHINAROYGGPJK-UHFFFAOYSA-N 1 0 313.310 0.809 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)CCO)cc2=O ZINC000844446195 672181876 /nfs/dbraw/zinc/18/18/76/672181876.db2.gz GIVOVTLVYKGGAW-SNVBAGLBSA-N 1 0 322.365 0.814 20 10 DCCDRO COc1c(O)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000846067924 672291901 /nfs/dbraw/zinc/29/19/01/672291901.db2.gz NADJNRPEVNYLAY-GFCCVEGCSA-N 1 0 323.349 0.560 20 10 DCCDRO CCO[N-]C(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846084964 672292869 /nfs/dbraw/zinc/29/28/69/672292869.db2.gz GNCXKNRJJSTKHG-UHFFFAOYSA-N 1 0 306.410 0.596 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)COC2(C)C[NH2+]C2)cc1 ZINC000846695951 672338606 /nfs/dbraw/zinc/33/86/06/672338606.db2.gz BXMGIBBZASBVAH-UHFFFAOYSA-N 1 0 321.421 0.968 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(OC)c1 ZINC001141029041 1159064889 /nfs/dbraw/zinc/06/48/89/1159064889.db2.gz ILWXOMMMPKTRCD-CMPLNLGQSA-N 1 0 306.362 0.977 20 10 DCCDRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCc1c(O)cccc1O ZINC001575441452 1164015416 /nfs/dbraw/zinc/01/54/16/1164015416.db2.gz BVVGWPIAMPAHEQ-AWEZNQCLSA-N 1 0 309.366 0.204 20 10 DCCDRO O=C(NCc1cccc(O)c1O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001580718689 1165698708 /nfs/dbraw/zinc/69/87/08/1165698708.db2.gz KTNUUDWWPQRNFZ-NSHDSACASA-N 1 0 317.349 0.544 20 10 DCCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH2+]C[C@H]1CO ZINC001580813183 1165724764 /nfs/dbraw/zinc/72/47/64/1165724764.db2.gz MVDROMXGHBQUFB-VIFPVBQESA-N 1 0 308.359 0.719 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001639645353 1171845652 /nfs/dbraw/zinc/84/56/52/1171845652.db2.gz NHJXFXNXRNKJGY-CYBMUJFWSA-N 1 0 308.378 0.603 20 10 DCCDRO COc1cc(C)c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC001652759509 1173776201 /nfs/dbraw/zinc/77/62/01/1173776201.db2.gz MJXYDEZQQLGBJS-LLVKDONJSA-N 1 0 314.407 0.833 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)cc1C ZINC001690616933 1177283283 /nfs/dbraw/zinc/28/32/83/1177283283.db2.gz SNVPZSOAHLJCJQ-YPMHNXCESA-N 1 0 320.393 0.279 20 10 DCCDRO COc1ccc(C[NH2+]C2(CNC(=O)C(N)=O)CCC2)cc1C ZINC001700135780 1178491117 /nfs/dbraw/zinc/49/11/17/1178491117.db2.gz FJTJHGQZSCCPMU-UHFFFAOYSA-N 1 0 305.378 0.617 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCNC2=O)cc1C ZINC001129304021 755220678 /nfs/dbraw/zinc/22/06/78/755220678.db2.gz NBYISWLYLPLYQU-CQSZACIVSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)CC(N)=O)C2)cc1C ZINC001100209485 763394356 /nfs/dbraw/zinc/39/43/56/763394356.db2.gz CXXJWVRSFIJUMK-UHFFFAOYSA-N 1 0 319.405 0.863 20 10 DCCDRO COCC(=O)NCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001118139758 766234104 /nfs/dbraw/zinc/23/41/04/766234104.db2.gz VJOOCUOKSZRENP-AWEZNQCLSA-N 1 0 322.409 0.021 20 10 DCCDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001118976921 766493113 /nfs/dbraw/zinc/49/31/13/766493113.db2.gz UEUDREKEZQMVSB-LBPRGKRZSA-N 1 0 317.389 0.692 20 10 DCCDRO CC(C)[NH2+]CCCNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119421131 766671878 /nfs/dbraw/zinc/67/18/78/766671878.db2.gz PDWNMKDTMDPZID-UHFFFAOYSA-N 1 0 305.378 0.739 20 10 DCCDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001119421236 766672585 /nfs/dbraw/zinc/67/25/85/766672585.db2.gz RUBZIUBSPLDFRI-SMDDNHRTSA-N 1 0 317.389 0.868 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)C2)cc1 ZINC001122135268 767723020 /nfs/dbraw/zinc/72/30/20/767723020.db2.gz HREQNBINQLPWFX-QEORTHHSSA-N 1 0 319.405 0.503 20 10 DCCDRO COc1cc(C[NH+]2CCC3(CNC(=O)N3)CC2)c(O)cc1O ZINC001231639497 769270838 /nfs/dbraw/zinc/27/08/38/769270838.db2.gz QZINFCMPDPCAKL-UHFFFAOYSA-N 1 0 307.350 0.754 20 10 DCCDRO Oc1cc(O)c(CN2CCOC[C@@](O)(C(F)(F)F)C2)cc1O ZINC001233482797 769368893 /nfs/dbraw/zinc/36/88/93/769368893.db2.gz CFGXAXNLWCEOGH-GFCCVEGCSA-N 1 0 323.267 0.929 20 10 DCCDRO C[NH+](C)CCCN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485969 769370893 /nfs/dbraw/zinc/37/08/93/769370893.db2.gz SCALHNSMOFQVDK-UHFFFAOYSA-N 1 0 309.410 0.873 20 10 DCCDRO C[C@@H]1C(=O)NCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236937824 770025216 /nfs/dbraw/zinc/02/52/16/770025216.db2.gz FUOPHNTXOAKEBZ-CYBMUJFWSA-N 1 0 320.412 0.898 20 10 DCCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)NC3=O)c1 ZINC001181591824 771312904 /nfs/dbraw/zinc/31/29/04/771312904.db2.gz VQQPZIZJFCTZJV-BZNIZROVSA-N 1 0 319.361 0.869 20 10 DCCDRO Oc1cc(O)c(CCNc2cc(C3C[NH2+]C3)ncn2)cc1O ZINC001157247617 771567069 /nfs/dbraw/zinc/56/70/69/771567069.db2.gz WDAUIYCVAIRCJV-UHFFFAOYSA-N 1 0 302.334 0.935 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1 ZINC001158546788 771787967 /nfs/dbraw/zinc/78/79/67/771787967.db2.gz MBHOLIKZGQBVJN-YSVLISHTSA-N 1 0 301.390 0.791 20 10 DCCDRO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001185257313 771891218 /nfs/dbraw/zinc/89/12/18/771891218.db2.gz JMZKJJOJIBCPDL-AWEZNQCLSA-N 1 0 319.405 0.618 20 10 DCCDRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3cccc(O)c3C2)C1 ZINC001186107357 772006037 /nfs/dbraw/zinc/00/60/37/772006037.db2.gz MYGUJQASGYVGNJ-ZDUSSCGKSA-N 1 0 318.373 0.772 20 10 DCCDRO CON(C)C(=O)[C@@H]1CCc2cc(N3CC[C@@H]([NH3+])C3)ccc2O1 ZINC001164287066 772636363 /nfs/dbraw/zinc/63/63/63/772636363.db2.gz AWRZTWNXTSZVGF-DOMZBBRYSA-N 1 0 305.378 0.937 20 10 DCCDRO COc1ccc(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)c(O)c1 ZINC001203627465 772916519 /nfs/dbraw/zinc/91/65/19/772916519.db2.gz GFJPHNAMBZGJAL-UHFFFAOYSA-N 1 0 307.394 0.782 20 10 DCCDRO C[C@@H]1CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1[NH3+] ZINC001206075872 773044645 /nfs/dbraw/zinc/04/46/45/773044645.db2.gz ZVPCWFAQNKAARC-CZUORRHYSA-N 1 0 323.462 0.700 20 10 DCCDRO C[NH+]1CC2(C1)CCN(C(=O)CN1C(=O)CSC1=S)CC2 ZINC001268908678 940404470 /nfs/dbraw/zinc/40/44/70/940404470.db2.gz AJARKBWMLHMHMF-UHFFFAOYSA-N 1 0 313.448 0.401 20 10 DCCDRO CN(C)C(=O)CNC(=O)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277440519 944818325 /nfs/dbraw/zinc/81/83/25/944818325.db2.gz BCGADGAKNLJNHR-ZDUSSCGKSA-N 1 0 317.389 0.419 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2COC(=O)N2)cc1C ZINC001317237387 944867709 /nfs/dbraw/zinc/86/77/09/944867709.db2.gz YCRVGRVLFZXXEA-YPMHNXCESA-N 1 0 321.377 0.706 20 10 DCCDRO Oc1ccc([C@H](O)C[NH2+]C[C@@H](O)COCc2ccco2)cc1O ZINC001252626037 945970567 /nfs/dbraw/zinc/97/05/67/945970567.db2.gz ZJSCAWYSCLZOPE-MLGOLLRUSA-N 1 0 323.345 0.892 20 10 DCCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(N)=O)C3)cc2F)CC1 ZINC001253962743 946210102 /nfs/dbraw/zinc/21/01/02/946210102.db2.gz AAYFYPXCLVFLMZ-CQSZACIVSA-N 1 0 320.412 0.885 20 10 DCCDRO COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC1CC[NH+](C)CC1 ZINC001256194686 946594392 /nfs/dbraw/zinc/59/43/92/946594392.db2.gz JMVGORAWXKABGX-ZDUSSCGKSA-N 1 0 308.378 0.866 20 10 DCCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@@H](C)C[NH2+]1 ZINC001325735439 947903499 /nfs/dbraw/zinc/90/34/99/947903499.db2.gz FGTSUTYQGOXKSF-RYUDHWBXSA-N 1 0 305.378 0.559 20 10 DCCDRO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1Cc2cccc(O)c2C1 ZINC001329503599 949646044 /nfs/dbraw/zinc/64/60/44/949646044.db2.gz CIZCSYUMORKLFB-TXEJJXNPSA-N 1 0 301.346 0.197 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331956728 951408962 /nfs/dbraw/zinc/40/89/62/951408962.db2.gz CQROZIQOFPZLDB-ZDUSSCGKSA-N 1 0 320.437 0.955 20 10 DCCDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001332116241 951483970 /nfs/dbraw/zinc/48/39/70/951483970.db2.gz MEDMXHCOIQLCQN-LBPRGKRZSA-N 1 0 303.362 0.445 20 10 DCCDRO C[C@@H](CNC(=O)NCc1ccc(N)cc1)C[NH+]1CCN(C)CC1 ZINC001335513120 952548776 /nfs/dbraw/zinc/54/87/76/952548776.db2.gz KRJBYVNYVUBDII-AWEZNQCLSA-N 1 0 319.453 0.952 20 10 DCCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001335711318 952586725 /nfs/dbraw/zinc/58/67/25/952586725.db2.gz FJXJNUFZOINIQG-RISCZKNCSA-N 1 0 317.389 0.963 20 10 DCCDRO [NH3+]C[C@@H](O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001340319039 953161455 /nfs/dbraw/zinc/16/14/55/953161455.db2.gz FOWBLLJOZRHFRI-UONOGXRCSA-N 1 0 308.378 0.610 20 10 DCCDRO CCN(CC(=O)N1CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC001346018717 953786584 /nfs/dbraw/zinc/78/65/84/953786584.db2.gz ZYZAEQPRBIRJFH-UHFFFAOYSA-N 1 0 307.394 0.962 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CO[C@@H]2CCOC2)cc1 ZINC001349139267 954611732 /nfs/dbraw/zinc/61/17/32/954611732.db2.gz TVMJXJKYTJFHLP-HUUCEWRRSA-N 1 0 307.394 0.674 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CO[C@H]2CCOC2)cc1 ZINC001349139265 954612412 /nfs/dbraw/zinc/61/24/12/954612412.db2.gz TVMJXJKYTJFHLP-GJZGRUSLSA-N 1 0 307.394 0.674 20 10 DCCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001349816500 954894858 /nfs/dbraw/zinc/89/48/58/954894858.db2.gz OTMJNXNHKZZAQS-INIZCTEOSA-N 1 0 321.421 0.628 20 10 DCCDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001448018548 1013712625 /nfs/dbraw/zinc/71/26/25/1013712625.db2.gz FXFIYXJHABWUGM-CYBMUJFWSA-N 1 0 321.421 0.783 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(C(N)=O)CC2)cc1C ZINC001498100007 1018652032 /nfs/dbraw/zinc/65/20/32/1018652032.db2.gz BKYFHRUYPJSOCZ-LBPRGKRZSA-N 1 0 319.405 0.863 20 10 DCCDRO CC[NH+](CC)CCC[C@@H](C)NC=C1C(=O)NC(=S)NC1=O ZINC000072680386 191213001 /nfs/dbraw/zinc/21/30/01/191213001.db2.gz VEOFIMPYFSVWAG-SNVBAGLBSA-N 1 0 312.439 0.501 20 10 DCCDRO C[C@H]1CCCC[N@@H+]1CCCNC=C1C(=O)NC(=S)NC1=O ZINC000052529089 395864771 /nfs/dbraw/zinc/86/47/71/395864771.db2.gz SAEPMTXQNANRIY-JTQLQIEISA-N 1 0 310.423 0.255 20 10 DCCDRO CNC(=O)CCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000154727362 396041016 /nfs/dbraw/zinc/04/10/16/396041016.db2.gz WWTGJEJOTBKBPA-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc(F)ccc1O ZINC000277401133 396066043 /nfs/dbraw/zinc/06/60/43/396066043.db2.gz GZJXZAGSXFEWLY-UHFFFAOYSA-N 1 0 305.375 0.453 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000283252358 396323022 /nfs/dbraw/zinc/32/30/22/396323022.db2.gz AFEUOTACLVBYOW-UHFFFAOYSA-N 1 0 318.421 0.579 20 10 DCCDRO COC(=O)Cn1cc(CC[N@H+](C)Cc2ccccc2O)nn1 ZINC000121142270 415794373 /nfs/dbraw/zinc/79/43/73/415794373.db2.gz NFLWKKVZXGDAAU-UHFFFAOYSA-N 1 0 304.350 0.831 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000529380652 340753571 /nfs/dbraw/zinc/75/35/71/340753571.db2.gz PJURUECSPJQNGW-GHMZBOCLSA-N 1 0 309.366 0.749 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CC(C)(C)O)cc2=O ZINC000265140649 521580904 /nfs/dbraw/zinc/58/09/04/521580904.db2.gz QCRKCLQALBFGEB-UHFFFAOYSA-N 1 0 322.365 0.814 20 10 DCCDRO CCOc1cccc(C[NH2+]CCn2cc(C(=O)OC)nn2)c1O ZINC000284137343 535458621 /nfs/dbraw/zinc/45/86/21/535458621.db2.gz UWUKBLMVZKXSBY-UHFFFAOYSA-N 1 0 320.349 0.959 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)NCCCSc1nccs1 ZINC000842093940 661658848 /nfs/dbraw/zinc/65/88/48/661658848.db2.gz VBCPSNRGBMDHPM-UHFFFAOYSA-N 1 0 316.452 0.419 20 10 DCCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1O ZINC000894532608 661979251 /nfs/dbraw/zinc/97/92/51/661979251.db2.gz IKLBXFHDHRWCSW-NSHDSACASA-N 1 0 300.380 0.572 20 10 DCCDRO COCCNC(=O)C1([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894867429 662021595 /nfs/dbraw/zinc/02/15/95/662021595.db2.gz PAKJEBDGBIAIKX-UHFFFAOYSA-N 1 0 324.377 0.794 20 10 DCCDRO COc1cc(Cl)cc(CN2C[C@H](O)C[C@H]2C(N)=O)c1O ZINC000895368364 662176233 /nfs/dbraw/zinc/17/62/33/662176233.db2.gz PNGCZBMQHMJJGM-ZJUUUORDSA-N 1 0 300.742 0.475 20 10 DCCDRO NC(=O)[C@@H]1C[C@@H](O)CN1Cc1c(O)cccc1Br ZINC000895371941 662176810 /nfs/dbraw/zinc/17/68/10/662176810.db2.gz ZWVFXXAUWQLLHH-XCBNKYQSSA-N 1 0 315.167 0.575 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)cc1F ZINC000905077016 663530972 /nfs/dbraw/zinc/53/09/72/663530972.db2.gz UXOYZPMOEKSYPL-BBRMVZONSA-N 1 0 312.385 0.884 20 10 DCCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907275015 663680104 /nfs/dbraw/zinc/68/01/04/663680104.db2.gz UYXXKLRONJLEAG-LBPRGKRZSA-N 1 0 321.421 0.638 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000911561033 664079448 /nfs/dbraw/zinc/07/94/48/664079448.db2.gz UUJFVNQCXHPICJ-HDJSIYSDSA-N 1 0 318.421 0.565 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(=O)cc[nH]2)cc1 ZINC000911667410 664097218 /nfs/dbraw/zinc/09/72/18/664097218.db2.gz QLRNLNJYGCTJLV-AWEZNQCLSA-N 1 0 300.362 0.871 20 10 DCCDRO COc1cc(C(=O)NC2CC[NH+](CCO)CC2)cc(OC)n1 ZINC001003244786 666287446 /nfs/dbraw/zinc/28/74/46/666287446.db2.gz HLQXXAPGDAHJMA-UHFFFAOYSA-N 1 0 309.366 0.285 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)NCC2C[NH+](CCO)C2)cc1 ZINC001032215386 666502641 /nfs/dbraw/zinc/50/26/41/666502641.db2.gz HLHDLSILFNYDOJ-UHFFFAOYSA-N 1 0 305.338 0.503 20 10 DCCDRO NC(=O)c1cn(C2CC[NH+](Cc3ccccc3O)CC2)nn1 ZINC000862483389 667045415 /nfs/dbraw/zinc/04/54/15/667045415.db2.gz LUWYDAFPTIOHSD-UHFFFAOYSA-N 1 0 301.350 0.920 20 10 DCCDRO COCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884398190 667537320 /nfs/dbraw/zinc/53/73/20/667537320.db2.gz XYGKMUMWELVHKK-DOMZBBRYSA-N 1 0 307.394 0.754 20 10 DCCDRO O=C1NCCC12CC[NH+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC000872789538 667938842 /nfs/dbraw/zinc/93/88/42/667938842.db2.gz VQMJSMKTMSEDDK-AWEZNQCLSA-N 1 0 318.373 0.920 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CCOC2=O)cc1 ZINC000876505774 668457461 /nfs/dbraw/zinc/45/74/61/668457461.db2.gz BDONTOFWFNJGKK-ZDUSSCGKSA-N 1 0 306.366 0.321 20 10 DCCDRO COc1cccc(O)c1C[N@H+](CCO)CCN1CCOCC1 ZINC000768925214 668628081 /nfs/dbraw/zinc/62/80/81/668628081.db2.gz CIBYMWGTIICYKJ-UHFFFAOYSA-N 1 0 310.394 0.527 20 10 DCCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1O ZINC000877592392 668631859 /nfs/dbraw/zinc/63/18/59/668631859.db2.gz OHXNTIZRFDWZRT-MAUKXSAKSA-N 1 0 320.433 0.823 20 10 DCCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC000878973448 668959374 /nfs/dbraw/zinc/95/93/74/668959374.db2.gz POEUWIQEHHKTCG-OKILXGFUSA-N 1 0 304.394 0.161 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C(N)=O)CC3)cc2)CC1 ZINC000881851305 669398945 /nfs/dbraw/zinc/39/89/45/669398945.db2.gz IKQIHEPUTKFQOQ-UHFFFAOYSA-N 1 0 316.405 0.320 20 10 DCCDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000799157249 670045972 /nfs/dbraw/zinc/04/59/72/670045972.db2.gz QZMNWYFISTXLTC-SWLSCSKDSA-N 1 0 317.389 0.979 20 10 DCCDRO COc1c(O)c(C[NH2+][C@H](C)C(=O)NCCF)ccc1[N+](=O)[O-] ZINC000800530881 670093711 /nfs/dbraw/zinc/09/37/11/670093711.db2.gz XGZLJKPEPKKYHZ-MRVPVSSYSA-N 1 0 315.301 0.873 20 10 DCCDRO CNC(=O)[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817282796 670909704 /nfs/dbraw/zinc/90/97/04/670909704.db2.gz KTUUCFCCNNEDFF-AWEZNQCLSA-N 1 0 318.421 0.437 20 10 DCCDRO COC(=O)CCNC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000858293196 670989187 /nfs/dbraw/zinc/98/91/87/670989187.db2.gz RMVOUTJEJIRJIY-UHFFFAOYSA-N 1 0 306.362 0.781 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000851685272 671013136 /nfs/dbraw/zinc/01/31/36/671013136.db2.gz PRFWAKYKFUATAF-UHFFFAOYSA-N 1 0 316.405 0.319 20 10 DCCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC[NH3+])cc2)C1 ZINC000827468882 671528718 /nfs/dbraw/zinc/52/87/18/671528718.db2.gz GHLPGKLYKKVBLX-CQSZACIVSA-N 1 0 318.421 0.743 20 10 DCCDRO COc1ccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c(O)c1 ZINC000832178629 671707559 /nfs/dbraw/zinc/70/75/59/671707559.db2.gz ULLMGDKZZPWKJN-CYBMUJFWSA-N 1 0 321.377 0.275 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC(=O)N2C)cc1 ZINC000832284050 671713048 /nfs/dbraw/zinc/71/30/48/671713048.db2.gz HCZPNXTVTAJQRB-KGLIPLIRSA-N 1 0 304.394 0.489 20 10 DCCDRO Nc1ccc(CC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000834673206 671775798 /nfs/dbraw/zinc/77/57/98/671775798.db2.gz LPBJUZINHPTVKZ-OAHLLOKOSA-N 1 0 318.421 0.657 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000842036637 671977961 /nfs/dbraw/zinc/97/79/61/671977961.db2.gz PWOJBQZCPFIBLV-CYBMUJFWSA-N 1 0 304.394 0.319 20 10 DCCDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842148017 671985736 /nfs/dbraw/zinc/98/57/36/671985736.db2.gz LGPRWOTXBQDKMD-ZDUSSCGKSA-N 1 0 324.400 0.607 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842201804 671993347 /nfs/dbraw/zinc/99/33/47/671993347.db2.gz CPHYZMWNFTXMSP-NWDGAFQWSA-N 1 0 306.410 0.641 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000842204013 671993977 /nfs/dbraw/zinc/99/39/77/671993977.db2.gz ZVLRAOUYYOAVNC-IAQYHMDHSA-N 1 0 318.421 0.783 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC[NH2+]C ZINC000842224080 671996265 /nfs/dbraw/zinc/99/62/65/671996265.db2.gz JNDQOISJAIHZQL-UHFFFAOYSA-N 1 0 320.437 0.827 20 10 DCCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H](C)[NH3+])cc1 ZINC000842230357 671997617 /nfs/dbraw/zinc/99/76/17/671997617.db2.gz UBLDKLDIKUQAQC-ZDUSSCGKSA-N 1 0 320.437 0.955 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000842254339 672000884 /nfs/dbraw/zinc/00/08/84/672000884.db2.gz UMCRMYXQRRYXND-LBPRGKRZSA-N 1 0 307.394 0.984 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(N)=O)c[nH]2)cc1 ZINC000843299758 672080487 /nfs/dbraw/zinc/08/04/87/672080487.db2.gz ZLNGJNKQYSRIGL-ZDUSSCGKSA-N 1 0 315.377 0.609 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C(N)=O)CCC2)cc1 ZINC000843299867 672080535 /nfs/dbraw/zinc/08/05/35/672080535.db2.gz YQIPNEXKTNKPAU-ZDUSSCGKSA-N 1 0 304.394 0.524 20 10 DCCDRO C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000846673032 672335573 /nfs/dbraw/zinc/33/55/73/672335573.db2.gz NWNIWTHRMHWYIR-INIZCTEOSA-N 1 0 320.437 0.418 20 10 DCCDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)O)C2)cc(OC)n1 ZINC001007792845 690750245 /nfs/dbraw/zinc/75/02/45/690750245.db2.gz QGCWXBXHJLTHCQ-YPMHNXCESA-N 1 0 323.393 0.674 20 10 DCCDRO CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001578026823 1164901162 /nfs/dbraw/zinc/90/11/62/1164901162.db2.gz YXWNHSUGYRIEOZ-TUAOUCFPSA-N 1 0 322.361 0.426 20 10 DCCDRO C[NH2+]C[C@@H](O)CN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001578652363 1165080777 /nfs/dbraw/zinc/08/07/77/1165080777.db2.gz IQOMYULKMKGUBZ-SMYYYNMVSA-N 1 0 323.349 0.798 20 10 DCCDRO O=C(NCc1cccc(O)c1O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001580718688 1165698172 /nfs/dbraw/zinc/69/81/72/1165698172.db2.gz KTNUUDWWPQRNFZ-LLVKDONJSA-N 1 0 317.349 0.544 20 10 DCCDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc(Cl)cc1O ZINC001660018389 1173938621 /nfs/dbraw/zinc/93/86/21/1173938621.db2.gz QQJBVUXHCHQSJX-CQSZACIVSA-N 1 0 300.786 0.828 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(N)=O)cc1C ZINC001717402472 1182822184 /nfs/dbraw/zinc/82/21/84/1182822184.db2.gz GKIBYCNXLQAZTD-NWDGAFQWSA-N 1 0 307.394 0.862 20 10 DCCDRO Oc1cc2c(cc1CN1CCNCC(F)(F)C1)C[NH2+]CCO2 ZINC001211348347 747199086 /nfs/dbraw/zinc/19/90/86/747199086.db2.gz XYMAXYRXZRVIGZ-UHFFFAOYSA-N 1 0 313.348 0.915 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@]2(C)CCNC2=O)cc1C ZINC001133766507 765132386 /nfs/dbraw/zinc/13/23/86/765132386.db2.gz GTOQBVXXYDCKSP-QGZVFWFLSA-N 1 0 319.405 0.736 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C ZINC001133911881 765223544 /nfs/dbraw/zinc/22/35/44/765223544.db2.gz OLQMBBWOFNYNRL-OLZOCXBDSA-N 1 0 305.378 0.331 20 10 DCCDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001119420352 766671021 /nfs/dbraw/zinc/67/10/21/766671021.db2.gz GJFIUSWVRBIKDH-RYUDHWBXSA-N 1 0 303.362 0.621 20 10 DCCDRO C[N@@H+]1CCC[C@H](CCNC(=O)CN2C(=O)CSC2=S)C1 ZINC001144848343 767064148 /nfs/dbraw/zinc/06/41/48/767064148.db2.gz MMFHUBOALQSWFK-SNVBAGLBSA-N 1 0 315.464 0.695 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCN(C(N)=O)CC3)cc2)CC1 ZINC001139409973 768472301 /nfs/dbraw/zinc/47/23/01/768472301.db2.gz YFZALQGLUBANMN-UHFFFAOYSA-N 1 0 317.437 0.635 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(OC)c1 ZINC001141032225 768562998 /nfs/dbraw/zinc/56/29/98/768562998.db2.gz WPHBREGTUXARJZ-HOTGVXAUSA-N 1 0 311.378 0.975 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(OC)c1 ZINC001141032224 768563280 /nfs/dbraw/zinc/56/32/80/768563280.db2.gz WPHBREGTUXARJZ-CVEARBPZSA-N 1 0 311.378 0.975 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231592486 769269891 /nfs/dbraw/zinc/26/98/91/769269891.db2.gz IAXDEAFNDVFUCL-QGZVFWFLSA-N 1 0 317.389 0.623 20 10 DCCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231639998 769270809 /nfs/dbraw/zinc/27/08/09/769270809.db2.gz NZRBBTRNHNPBDF-NSHDSACASA-N 1 0 309.366 1.000 20 10 DCCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCN1C ZINC001232840841 769337361 /nfs/dbraw/zinc/33/73/61/769337361.db2.gz LTGKZKRJHHVHAY-AWEZNQCLSA-N 1 0 307.394 0.747 20 10 DCCDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233950352 769506552 /nfs/dbraw/zinc/50/65/52/769506552.db2.gz VRRNYNSHQYLEKK-SECBINFHSA-O 1 0 322.341 0.404 20 10 DCCDRO COc1cc(O)c(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC001235063593 769755294 /nfs/dbraw/zinc/75/52/94/769755294.db2.gz UDFIZHTYMFPQRZ-MRXNPFEDSA-N 1 0 307.394 0.547 20 10 DCCDRO COC(=O)Cc1ccc(CN2C[C@H]([NH3+])[C@H](C(=O)OC)C2)c(O)c1 ZINC001236356474 770006338 /nfs/dbraw/zinc/00/63/38/770006338.db2.gz MMXLMJNFVWZFRG-OLZOCXBDSA-N 1 0 322.361 0.040 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c(O)c1 ZINC001236821604 770019301 /nfs/dbraw/zinc/01/93/01/770019301.db2.gz RKVPWADZCKMBTM-GFCCVEGCSA-N 1 0 306.362 0.752 20 10 DCCDRO C[C@H](C[NH+](C)C)NC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155232640 770444158 /nfs/dbraw/zinc/44/41/58/770444158.db2.gz SQVUXCYOPPZLOW-MRVPVSSYSA-N 1 0 306.318 0.884 20 10 DCCDRO O=C(CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(O)c(O)c1 ZINC001182017773 771398124 /nfs/dbraw/zinc/39/81/24/771398124.db2.gz OXCSHHQZHXWVJI-GFCCVEGCSA-N 1 0 304.346 0.739 20 10 DCCDRO Cc1ncc(C[NH3+])c(=N)n1C(=O)CCc1ccc(O)c(O)c1 ZINC001182155816 771421940 /nfs/dbraw/zinc/42/19/40/771421940.db2.gz REHWLBAGJQAEHO-UHFFFAOYSA-N 1 0 302.334 0.814 20 10 DCCDRO Oc1cc(O)c(CCNc2ncnc3c2CC[NH2+]CC3)cc1O ZINC001157240175 771565729 /nfs/dbraw/zinc/56/57/29/771565729.db2.gz SQLMVSOBVQSGIH-UHFFFAOYSA-N 1 0 316.361 0.936 20 10 DCCDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)Cc1ccc(N)cc1 ZINC001158505929 771783746 /nfs/dbraw/zinc/78/37/46/771783746.db2.gz ICXLAKKPYKYRRM-AEGPPILISA-N 1 0 317.389 0.563 20 10 DCCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H]1O ZINC001205363775 772071473 /nfs/dbraw/zinc/07/14/73/772071473.db2.gz RMNREYAYDHADJD-UKRRQHHQSA-N 1 0 311.813 0.680 20 10 DCCDRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275130 772943686 /nfs/dbraw/zinc/94/36/86/772943686.db2.gz XEBYPSBDJSNPNT-MRXNPFEDSA-N 1 0 319.361 0.021 20 10 DCCDRO Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)NCC[NH3+])cc12 ZINC001219870538 774633247 /nfs/dbraw/zinc/63/32/47/774633247.db2.gz ITFZSOVCXFRROZ-UHFFFAOYSA-N 1 0 319.361 0.314 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220212304 774735777 /nfs/dbraw/zinc/73/57/77/774735777.db2.gz DCVGZLCKBFHXOH-CABZTGNLSA-N 1 0 321.764 0.933 20 10 DCCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220212358 774736375 /nfs/dbraw/zinc/73/63/75/774736375.db2.gz GOAYRFALOFPWJC-ZYHUDNBSSA-N 1 0 321.764 0.790 20 10 DCCDRO [NH3+][C@@]12CC[C@@](NC(=O)CN3C(=O)CSC3=S)(C1)CCC2 ZINC001220775397 774912677 /nfs/dbraw/zinc/91/26/77/774912677.db2.gz WICRKZXAWJMMCN-QWHCGFSZSA-N 1 0 313.448 0.767 20 10 DCCDRO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCO ZINC001267156084 939361638 /nfs/dbraw/zinc/36/16/38/939361638.db2.gz OEFXYWAVQDVGFI-SNVBAGLBSA-N 1 0 307.354 0.939 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cn2cnnn2)cc1C ZINC001491390348 943956805 /nfs/dbraw/zinc/95/68/05/943956805.db2.gz OQOSUXZLYIQQIP-GFCCVEGCSA-N 1 0 318.381 0.285 20 10 DCCDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2O)Cc2ccnn21 ZINC001277192808 944699494 /nfs/dbraw/zinc/69/94/94/944699494.db2.gz UOFKNNPOOYZKDN-CYBMUJFWSA-N 1 0 302.334 0.727 20 10 DCCDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)c1O ZINC001277452524 944822848 /nfs/dbraw/zinc/82/28/48/944822848.db2.gz URYOKPPTZXDXCM-BZPMIXESSA-N 1 0 306.362 0.866 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001249178963 945624506 /nfs/dbraw/zinc/62/45/06/945624506.db2.gz WXSXWKHREWVZTQ-ZIAGYGMSSA-N 1 0 309.362 0.283 20 10 DCCDRO CCOc1ccc(C[N@H+](C)CCNS(C)(=O)=O)c(O)c1 ZINC001323310909 947027462 /nfs/dbraw/zinc/02/74/62/947027462.db2.gz PFMFZSQGRPPFHX-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO COCC[NH2+]CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325321628 947754264 /nfs/dbraw/zinc/75/42/64/947754264.db2.gz WRCGRIZJIKEKBY-UHFFFAOYSA-N 1 0 324.444 0.903 20 10 DCCDRO C[C@H](NC(=O)C[C@H](O)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001263097928 947807129 /nfs/dbraw/zinc/80/71/29/947807129.db2.gz MPDOHUQJNGZQCU-WFASDCNBSA-N 1 0 307.394 0.410 20 10 DCCDRO C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C[NH3+] ZINC001332117687 951485259 /nfs/dbraw/zinc/48/52/59/951485259.db2.gz XWHPFGBGCPOYAR-SMDDNHRTSA-N 1 0 317.389 0.820 20 10 DCCDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 ZINC001332127056 951490657 /nfs/dbraw/zinc/49/06/57/951490657.db2.gz FNMYWTFCVMXKKP-SJKOYZFVSA-N 1 0 315.373 0.574 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001333907920 952196119 /nfs/dbraw/zinc/19/61/19/952196119.db2.gz FOGUALDMYAYGKD-BETUJISGSA-N 1 0 304.394 0.222 20 10 DCCDRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001275821124 952477757 /nfs/dbraw/zinc/47/77/57/952477757.db2.gz JFHLOCBQJNDBOB-GASCZTMLSA-N 1 0 321.421 0.544 20 10 DCCDRO CN(C)C(=O)CN1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001275950128 952554406 /nfs/dbraw/zinc/55/44/06/952554406.db2.gz PPLDZSTWLGAJJR-UHFFFAOYSA-N 1 0 319.405 0.694 20 10 DCCDRO COc1cc(CN2CC3(CCN3CC[NH+](C)C)C2)c(O)cc1O ZINC001276093338 952913743 /nfs/dbraw/zinc/91/37/43/952913743.db2.gz YMSRYVSIPVJEHQ-UHFFFAOYSA-N 1 0 321.421 0.928 20 10 DCCDRO COc1ccc(CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001341082089 953210408 /nfs/dbraw/zinc/21/04/08/953210408.db2.gz YACPVAOSQQMGAB-INIZCTEOSA-N 1 0 319.361 0.916 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]([NH3+])C(C)(C)O)cc1 ZINC001342159182 953273133 /nfs/dbraw/zinc/27/31/33/953273133.db2.gz IZQXSFJSVQIBEW-CQSZACIVSA-N 1 0 309.410 0.688 20 10 DCCDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1c(O)cccc1F ZINC001342613725 953298440 /nfs/dbraw/zinc/29/84/40/953298440.db2.gz QYNDBEQIIQDYLJ-LBPRGKRZSA-N 1 0 309.341 0.406 20 10 DCCDRO NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC001349907559 954928955 /nfs/dbraw/zinc/92/89/55/954928955.db2.gz NELFPJMVRXVEDJ-OAHLLOKOSA-N 1 0 316.405 0.366 20 10 DCCDRO C[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](O)C[NH2+]1 ZINC001521439231 1017373706 /nfs/dbraw/zinc/37/37/06/1017373706.db2.gz MVCOYXBKBUCHBE-DOTOQJQBSA-N 1 0 319.405 0.252 20 10 DCCDRO COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000289784686 131416112 /nfs/dbraw/zinc/41/61/12/131416112.db2.gz JGHFNALPGCEBPG-AWEZNQCLSA-N 1 0 319.405 0.966 20 10 DCCDRO C[C@@H]1CCCC[N@@H+]1CCCNC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000052529102 395865208 /nfs/dbraw/zinc/86/52/08/395865208.db2.gz RQGWFPZUDNBSSZ-GFCCVEGCSA-N 1 0 322.409 0.775 20 10 DCCDRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1O ZINC000264620637 396296602 /nfs/dbraw/zinc/29/66/02/396296602.db2.gz QXKQHMAVRFPQOI-GXTWGEPZSA-N 1 0 319.405 0.936 20 10 DCCDRO COc1cc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000368283743 397417470 /nfs/dbraw/zinc/41/74/70/397417470.db2.gz KSOMAACJSYCSMP-ZDUSSCGKSA-N 1 0 308.378 0.926 20 10 DCCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292701264 415848838 /nfs/dbraw/zinc/84/88/38/415848838.db2.gz CJCCZLWMXYHTJL-GFCCVEGCSA-N 1 0 302.371 0.997 20 10 DCCDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)N1CC[NH+](C)CC1 ZINC000276536805 534029447 /nfs/dbraw/zinc/02/94/47/534029447.db2.gz FRNGONUENDMVSD-JTQLQIEISA-N 1 0 311.357 0.603 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNS(C)(=O)=O)c1 ZINC000182464221 524767998 /nfs/dbraw/zinc/76/79/98/524767998.db2.gz YKFFZNVYTGXZLH-JTQLQIEISA-N 1 0 302.396 0.991 20 10 DCCDRO COc1cccc(CNS(=O)(=O)CCC[NH+](C)C)c1O ZINC000866840316 657466675 /nfs/dbraw/zinc/46/66/75/657466675.db2.gz DRWSZJZZEQAJPF-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCNC2=O)[NH+](C)C)cc1 ZINC000891247733 658079714 /nfs/dbraw/zinc/07/97/14/658079714.db2.gz JYENGQKCHVIOPB-GJZGRUSLSA-N 1 0 318.421 0.608 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@]2(O)CCOC2)[NH+](C)C)cc1 ZINC000891250541 658086075 /nfs/dbraw/zinc/08/60/75/658086075.db2.gz WTKZWFRCCGRZGP-WBVHZDCISA-N 1 0 321.421 0.623 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CC(=O)N2)[NH+](C)C)cc1 ZINC000891250582 658086350 /nfs/dbraw/zinc/08/63/50/658086350.db2.gz XOXXHOQFLXWDLH-ZFWWWQNUSA-N 1 0 318.421 0.750 20 10 DCCDRO NC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895367945 662176123 /nfs/dbraw/zinc/17/61/23/662176123.db2.gz KMZDRUREMZGZGN-DOMZBBRYSA-N 1 0 323.368 0.083 20 10 DCCDRO COc1cccc(O)c1C[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898333551 662949468 /nfs/dbraw/zinc/94/94/68/662949468.db2.gz VRYHUJQPBPCCPN-UHFFFAOYSA-N 1 0 305.334 0.843 20 10 DCCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1F ZINC000900434833 663243827 /nfs/dbraw/zinc/24/38/27/663243827.db2.gz SPIKEWIBDBGZJG-LRDDRELGSA-N 1 0 309.385 0.963 20 10 DCCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1c(O)cccc1F ZINC000917223575 665122260 /nfs/dbraw/zinc/12/22/60/665122260.db2.gz KOOAOTVSGSMDRJ-GFCCVEGCSA-N 1 0 324.400 0.966 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@]2(CO)COCCN2C)cc1F ZINC000922535410 666477295 /nfs/dbraw/zinc/47/72/95/666477295.db2.gz HCKZCNLMWIDDNO-INIZCTEOSA-N 1 0 311.401 0.674 20 10 DCCDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922535983 666477785 /nfs/dbraw/zinc/47/77/85/666477785.db2.gz YBXFKIDPMWGSIO-KRWDZBQOSA-N 1 0 306.406 0.794 20 10 DCCDRO C[NH2+]CCOCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000861676932 666957513 /nfs/dbraw/zinc/95/75/13/666957513.db2.gz LXZRXUBCIVYCAS-LLVKDONJSA-N 1 0 311.382 0.997 20 10 DCCDRO Cc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(O)c1O ZINC000861716180 666964358 /nfs/dbraw/zinc/96/43/58/666964358.db2.gz SUTNECXVVOGMAT-NWDGAFQWSA-N 1 0 306.362 0.687 20 10 DCCDRO COc1ccc(N2CCC[N@H+](CCS(N)(=O)=O)CC2)cc1 ZINC000735883401 667052232 /nfs/dbraw/zinc/05/22/32/667052232.db2.gz IOOVOEOYRNLMMK-UHFFFAOYSA-N 1 0 313.423 0.496 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863753342 667175360 /nfs/dbraw/zinc/17/53/60/667175360.db2.gz RFTCWVAUQUPDBX-ZDUSSCGKSA-N 1 0 320.437 0.907 20 10 DCCDRO CCOc1cccc(C[NH2+]CCCS(=O)(=O)NC)c1O ZINC000865707744 667340133 /nfs/dbraw/zinc/34/01/33/667340133.db2.gz XGDIXFISONJXSC-UHFFFAOYSA-N 1 0 302.396 0.820 20 10 DCCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884520239 667559773 /nfs/dbraw/zinc/55/97/73/667559773.db2.gz PVRDNZODFPAEDJ-JQWIXIFHSA-N 1 0 322.384 0.456 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H](O)C3)cc2)CC1 ZINC000889663857 667981744 /nfs/dbraw/zinc/98/17/44/667981744.db2.gz WEZQUWRFNSRKHN-FZNQNYSPSA-N 1 0 318.421 0.761 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3c(C)cccc3O)C[C@H]21 ZINC000877633206 668635406 /nfs/dbraw/zinc/63/54/06/668635406.db2.gz CTNUYCZAEGQTJC-CFVMTHIKSA-N 1 0 311.403 0.944 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877689828 668639029 /nfs/dbraw/zinc/63/90/29/668639029.db2.gz SHVYUABBTOMHSL-UHFFFAOYSA-N 1 0 318.395 0.438 20 10 DCCDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775370573 668861305 /nfs/dbraw/zinc/86/13/05/668861305.db2.gz WNRQBIVFXDVUDD-UWVGGRQHSA-N 1 0 310.350 0.729 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)c1 ZINC000775375473 668861716 /nfs/dbraw/zinc/86/17/16/668861716.db2.gz LSVICNNTTXHIRL-JTQLQIEISA-N 1 0 307.350 0.010 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCN2C)cc1 ZINC000931870909 669273186 /nfs/dbraw/zinc/27/31/86/669273186.db2.gz UDUPHONMVCJZAO-HNNXBMFYSA-N 1 0 318.421 0.531 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000785985890 669284337 /nfs/dbraw/zinc/28/43/37/669284337.db2.gz RVRKSPVCSJOLES-GFCCVEGCSA-N 1 0 300.380 0.654 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nnc[nH]3)cc2)CC1 ZINC000881850826 669399235 /nfs/dbraw/zinc/39/92/35/669399235.db2.gz HJXZSJXVURWRNH-UHFFFAOYSA-N 1 0 300.366 0.487 20 10 DCCDRO CN1CC[NH+]=C1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000848995503 670746972 /nfs/dbraw/zinc/74/69/72/670746972.db2.gz NDVABQLTEZPTKF-CQSZACIVSA-N 1 0 315.421 0.779 20 10 DCCDRO CCOc1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c1O ZINC000850361211 670909579 /nfs/dbraw/zinc/90/95/79/670909579.db2.gz OVCZLBYQEBRNOH-AAEUAGOBSA-N 1 0 315.391 0.693 20 10 DCCDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850360430 670909787 /nfs/dbraw/zinc/90/97/87/670909787.db2.gz FMIRJGBVZNPGBC-NOZJJQNGSA-N 1 0 315.347 0.023 20 10 DCCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000817945123 670955741 /nfs/dbraw/zinc/95/57/41/670955741.db2.gz UQDWWQJAQACDPG-GFCCVEGCSA-N 1 0 307.394 0.735 20 10 DCCDRO O[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858301316 670990490 /nfs/dbraw/zinc/99/04/90/670990490.db2.gz VIOXCYRHGYBOKK-GDBMZVCRSA-N 1 0 310.369 0.902 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000851685643 671013784 /nfs/dbraw/zinc/01/37/84/671013784.db2.gz VAAZOMHQIQYDRJ-SNVBAGLBSA-N 1 0 310.373 0.232 20 10 DCCDRO COCCOC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818973910 671081939 /nfs/dbraw/zinc/08/19/39/671081939.db2.gz YFPLIYSJKPPOAO-QGZVFWFLSA-N 1 0 324.421 0.637 20 10 DCCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121284 671210270 /nfs/dbraw/zinc/21/02/70/671210270.db2.gz BZNYKARBMUOFSF-UHFFFAOYSA-N 1 0 320.393 0.322 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC000832266382 671712885 /nfs/dbraw/zinc/71/28/85/671712885.db2.gz DYYFJBSMPNTGEV-OCCSQVGLSA-N 1 0 304.394 0.395 20 10 DCCDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)n1cncn1 ZINC000832280186 671713191 /nfs/dbraw/zinc/71/31/91/671713191.db2.gz NTUYMXCPHLRXJZ-FZMZJTMJSA-N 1 0 302.382 0.721 20 10 DCCDRO COc1ccc(CNS(=O)(=O)CCC[NH+](C)C)c(O)c1 ZINC000867218176 671848586 /nfs/dbraw/zinc/84/85/86/671848586.db2.gz XDZQVLXPTRVFHH-UHFFFAOYSA-N 1 0 302.396 0.772 20 10 DCCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729799 671952003 /nfs/dbraw/zinc/95/20/03/671952003.db2.gz JQPRNMCIMDUTTO-UHFFFAOYSA-N 1 0 306.410 0.932 20 10 DCCDRO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842149052 671985681 /nfs/dbraw/zinc/98/56/81/671985681.db2.gz UNMURBQAUDXMCO-UHFFFAOYSA-N 1 0 310.373 0.234 20 10 DCCDRO C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149791 671985985 /nfs/dbraw/zinc/98/59/85/671985985.db2.gz FQTACBFFVLYMQY-LLVKDONJSA-N 1 0 304.394 0.149 20 10 DCCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149977 671986290 /nfs/dbraw/zinc/98/62/90/671986290.db2.gz JIDYRHZONASZIU-GFCCVEGCSA-N 1 0 318.421 0.491 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000842202831 671994141 /nfs/dbraw/zinc/99/41/41/671994141.db2.gz MAOGVNVQJGTMDG-SWLSCSKDSA-N 1 0 318.421 0.880 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000842202742 671994216 /nfs/dbraw/zinc/99/42/16/671994216.db2.gz KYRKLKFFCMPICY-STQMWFEESA-N 1 0 318.421 0.750 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000842224259 671997098 /nfs/dbraw/zinc/99/70/98/671997098.db2.gz YDCMSDNQOIXKGU-CQSZACIVSA-N 1 0 318.421 0.579 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000842255320 672000754 /nfs/dbraw/zinc/00/07/54/672000754.db2.gz CXNKFFYGOZQZLA-AWEZNQCLSA-N 1 0 319.405 0.984 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCC2CC2)cc1 ZINC000843297080 672080038 /nfs/dbraw/zinc/08/00/38/672080038.db2.gz FQMNALHNNOQBKQ-AWEZNQCLSA-N 1 0 304.394 0.395 20 10 DCCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[NH3+] ZINC000843489731 672103810 /nfs/dbraw/zinc/10/38/10/672103810.db2.gz SOIMLWJUHFYVPE-UHFFFAOYSA-N 1 0 300.742 0.896 20 10 DCCDRO C[NH2+]C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844218955 672164878 /nfs/dbraw/zinc/16/48/78/672164878.db2.gz GLUNMSOWSAYBQY-HNNXBMFYSA-N 1 0 304.438 0.910 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C[NH3+])C2)cc1 ZINC000844220610 672164912 /nfs/dbraw/zinc/16/49/12/672164912.db2.gz ZAMTWRNIGSCWQL-OAHLLOKOSA-N 1 0 304.438 0.992 20 10 DCCDRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400228 672179702 /nfs/dbraw/zinc/17/97/02/672179702.db2.gz XJGJTCPAZAXKGD-LBPRGKRZSA-N 1 0 322.409 0.907 20 10 DCCDRO O=C(NCCCSc1nccs1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846670985 672335380 /nfs/dbraw/zinc/33/53/80/672335380.db2.gz MZBKVDNUNMGDMN-GWCFXTLKSA-N 1 0 313.448 0.978 20 10 DCCDRO CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000958734275 687887257 /nfs/dbraw/zinc/88/72/57/687887257.db2.gz YZALBBORKMORRW-WCQYABFASA-N 1 0 319.365 0.891 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)cc1C ZINC001569015769 1160918720 /nfs/dbraw/zinc/91/87/20/1160918720.db2.gz YSEOUWNBWCOPAQ-YPMHNXCESA-N 1 0 320.393 0.279 20 10 DCCDRO [NH3+]C1(CC(=O)NCc2ccc(N3CCOCC3)cc2)COC1 ZINC001580144616 1165517603 /nfs/dbraw/zinc/51/76/03/1165517603.db2.gz QDNXEKLDMQKIJS-UHFFFAOYSA-N 1 0 305.378 0.257 20 10 DCCDRO [NH3+]C1(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)COC1 ZINC001580144081 1165518215 /nfs/dbraw/zinc/51/82/15/1165518215.db2.gz KDAHYLLAGPOTSZ-UHFFFAOYSA-N 1 0 319.405 0.382 20 10 DCCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001620519042 1171403391 /nfs/dbraw/zinc/40/33/91/1171403391.db2.gz ROHPBWBHFNVIHP-AWEZNQCLSA-N 1 0 320.389 0.821 20 10 DCCDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc(Cl)cc1O ZINC001621249289 1171409234 /nfs/dbraw/zinc/40/92/34/1171409234.db2.gz BLMUIPAPLZCVKH-UHFFFAOYSA-N 1 0 321.830 0.968 20 10 DCCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001657228929 1173909823 /nfs/dbraw/zinc/90/98/23/1173909823.db2.gz HXWFLNQCHYZXLG-LBPRGKRZSA-N 1 0 314.407 0.833 20 10 DCCDRO COc1cc(C)c(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c(O)c1 ZINC001659226963 1173931905 /nfs/dbraw/zinc/93/19/05/1173931905.db2.gz HAWRNUQTBMZPHA-CQSZACIVSA-N 1 0 315.391 0.348 20 10 DCCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001662465800 1174212423 /nfs/dbraw/zinc/21/24/23/1174212423.db2.gz JHCOKQAJLWYCLJ-QGZUEGPWSA-N 1 0 324.446 0.905 20 10 DCCDRO CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001669753514 1174946520 /nfs/dbraw/zinc/94/65/20/1174946520.db2.gz QDEBICYRPNSXPW-VIFPVBQESA-N 1 0 320.353 0.303 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC(N)=O)C2)cc1C ZINC001690330657 1177214736 /nfs/dbraw/zinc/21/47/36/1177214736.db2.gz NLKDYSHNYKKQTC-BETUJISGSA-N 1 0 305.378 0.616 20 10 DCCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CC(N)=O)cc1C ZINC001690836214 1177335515 /nfs/dbraw/zinc/33/55/15/1177335515.db2.gz YBLPNWKIUZRADB-GFCCVEGCSA-N 1 0 307.394 0.863 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CNC(=O)CC(N)=O)C2CC2)cc1C ZINC001713860425 1181119122 /nfs/dbraw/zinc/11/91/22/1181119122.db2.gz FXGKVHVZEXAVEZ-CQSZACIVSA-N 1 0 319.405 0.863 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2nnn(C)n2)cc1C ZINC001714745038 1181520365 /nfs/dbraw/zinc/52/03/65/1181520365.db2.gz JNSHGPKKBWHJRU-UHFFFAOYSA-N 1 0 318.381 0.389 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCO2)cc1C ZINC001715576321 1181865520 /nfs/dbraw/zinc/86/55/20/1181865520.db2.gz PZNHLVXEHVZGPK-GDBMZVCRSA-N 1 0 322.405 0.749 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2nnn(C)c2C)cc1C ZINC001125184898 751834949 /nfs/dbraw/zinc/83/49/49/751834949.db2.gz REZLETURTQQIGN-UHFFFAOYSA-N 1 0 317.393 0.960 20 10 DCCDRO CCNC(=O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001126007145 748183482 /nfs/dbraw/zinc/18/34/82/748183482.db2.gz IRGQFXUMSUNMID-UHFFFAOYSA-N 1 0 307.394 0.736 20 10 DCCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)cc1C ZINC001048366895 754728946 /nfs/dbraw/zinc/72/89/46/754728946.db2.gz RPRQQPVNMCHSCX-JSGCOSHPSA-N 1 0 319.405 0.673 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)c2[nH]nnc2C)cc1C ZINC001132212786 764306368 /nfs/dbraw/zinc/30/63/68/764306368.db2.gz LERYNOZSGHXNAR-UHFFFAOYSA-N 1 0 303.366 0.950 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)CS(C)(=O)=O)cc1C ZINC001124365831 768227745 /nfs/dbraw/zinc/22/77/45/768227745.db2.gz ATEZCMDXJLZLMK-UHFFFAOYSA-N 1 0 314.407 0.254 20 10 DCCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC(=O)N2)cc1C ZINC001135219655 765839169 /nfs/dbraw/zinc/83/91/69/765839169.db2.gz RYEPPHNVMAZFLT-CQSZACIVSA-N 1 0 319.405 0.878 20 10 DCCDRO CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001118043729 766206015 /nfs/dbraw/zinc/20/60/15/766206015.db2.gz RXGXZZKHXDPIPK-ZDUSSCGKSA-N 1 0 305.378 0.609 20 10 DCCDRO COC(=O)CNC(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119304775 766630232 /nfs/dbraw/zinc/63/02/32/766630232.db2.gz YHJHPIMPUDOSQW-UHFFFAOYSA-N 1 0 305.378 0.666 20 10 DCCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514715 766964476 /nfs/dbraw/zinc/96/44/76/766964476.db2.gz PIPQIMAGKGUGPO-LBPRGKRZSA-N 1 0 324.377 0.921 20 10 DCCDRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CSC2=S)C1 ZINC001144850556 767065499 /nfs/dbraw/zinc/06/54/99/767065499.db2.gz XFSWPPMLEGQPTF-SNVBAGLBSA-N 1 0 315.464 0.788 20 10 DCCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2ncnn2)[NH+](C)C)cc1 ZINC001121265167 767486431 /nfs/dbraw/zinc/48/64/31/767486431.db2.gz URZNAOXNGIIYLF-CQSZACIVSA-N 1 0 317.397 0.158 20 10 DCCDRO COc1cc(CN2CCNC(=O)[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139256653 768464294 /nfs/dbraw/zinc/46/42/94/768464294.db2.gz GGOICWDCIWKIOG-NSHDSACASA-N 1 0 307.394 0.783 20 10 DCCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@@H]1O ZINC001140660110 768538282 /nfs/dbraw/zinc/53/82/82/768538282.db2.gz GIGYQFDKOYFHAX-PBHICJAKSA-N 1 0 324.396 0.837 20 10 DCCDRO CN(CC(=O)N1CCOCC1)Cc1cc(F)c(F)cc1O ZINC001142508917 768648176 /nfs/dbraw/zinc/64/81/76/768648176.db2.gz PSSBPFXMPMQOLT-UHFFFAOYSA-N 1 0 300.305 0.961 20 10 DCCDRO CCOC(=O)CN1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231634397 769270896 /nfs/dbraw/zinc/27/08/96/769270896.db2.gz LWPYEFZWBDKPDT-UHFFFAOYSA-N 1 0 324.377 0.787 20 10 DCCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(O)cc2O)CCCO1 ZINC001231638926 769271356 /nfs/dbraw/zinc/27/13/56/769271356.db2.gz IINMYEDWFFMTKA-CQSZACIVSA-N 1 0 311.334 0.870 20 10 DCCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486656 769371044 /nfs/dbraw/zinc/37/10/44/769371044.db2.gz WWCCBWPAWIYTSL-GFCCVEGCSA-N 1 0 324.377 0.921 20 10 DCCDRO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037522 769701381 /nfs/dbraw/zinc/70/13/81/769701381.db2.gz PGPUUWYROCXMII-SECBINFHSA-N 1 0 320.353 0.303 20 10 DCCDRO c1cc(N2CCOCC2)ccc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052059 769752344 /nfs/dbraw/zinc/75/23/44/769752344.db2.gz CTICZCLXOCCTEH-GOSISDBHSA-N 1 0 316.449 0.661 20 10 DCCDRO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204278735 771165780 /nfs/dbraw/zinc/16/57/80/771165780.db2.gz JKYYXFHFGOGBRJ-TXEJJXNPSA-N 1 0 323.345 0.882 20 10 DCCDRO O=C(CNc1ncc2c(n1)CC[NH2+]C2)c1ccc(O)c(O)c1 ZINC001159276822 771888975 /nfs/dbraw/zinc/88/89/75/771888975.db2.gz MTUSJVMHEJQAHH-UHFFFAOYSA-N 1 0 300.318 0.828 20 10 DCCDRO COCCN1C[C@@H]2C[N@H+](Cc3cc(OC)ccc3O)C[C@@H]2C1=O ZINC001203672850 772256826 /nfs/dbraw/zinc/25/68/26/772256826.db2.gz GGQCEAXXWIHTEG-ZFWWWQNUSA-N 1 0 320.389 0.937 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCNC2=O)cc1C ZINC001266961247 939290788 /nfs/dbraw/zinc/29/07/88/939290788.db2.gz IKONPXCRTATHTC-JSGCOSHPSA-N 1 0 319.405 0.734 20 10 DCCDRO COc1cc(C)c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC001462178169 1013054538 /nfs/dbraw/zinc/05/45/38/1013054538.db2.gz SYUCBMPRXDWCJE-MRXNPFEDSA-N 1 0 319.361 0.883 20 10 DCCDRO NC(=O)[C@H]1CC12C[NH+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001277407770 944810708 /nfs/dbraw/zinc/81/07/08/944810708.db2.gz BRNRYQWFIQVARL-OAHLLOKOSA-N 1 0 301.390 0.830 20 10 DCCDRO CN(C)C(=O)CNC(=O)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001277441900 944818756 /nfs/dbraw/zinc/81/87/56/944818756.db2.gz REMGZCBTFDLJKV-UHFFFAOYSA-N 1 0 317.389 0.609 20 10 DCCDRO O=C(Nc1nnco1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001277656514 944931491 /nfs/dbraw/zinc/93/14/91/944931491.db2.gz DWRWALMILBKGTF-MEBBXXQBSA-N 1 0 316.317 0.941 20 10 DCCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC001249171930 945621708 /nfs/dbraw/zinc/62/17/08/945621708.db2.gz HJISNLMMXPXYAI-ZDUSSCGKSA-N 1 0 306.362 0.805 20 10 DCCDRO COC(=O)[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC001252444530 945932748 /nfs/dbraw/zinc/93/27/48/945932748.db2.gz LAJDZSITNJELOU-JTQLQIEISA-N 1 0 304.140 0.778 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001262549315 947721292 /nfs/dbraw/zinc/72/12/92/947721292.db2.gz QNIDEHDHZOEKRJ-CHWSQXEVSA-N 1 0 319.405 0.712 20 10 DCCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325423410 947791084 /nfs/dbraw/zinc/79/10/84/947791084.db2.gz NFFLJFMFNDACJC-IUODEOHRSA-N 1 0 311.401 0.409 20 10 DCCDRO O=C(NCc1c(O)cccc1F)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001263199946 947818180 /nfs/dbraw/zinc/81/81/80/947818180.db2.gz VSXBJIHLAYFOPN-SNVBAGLBSA-N 1 0 319.340 0.977 20 10 DCCDRO C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@H]1C[NH3+] ZINC001326472112 948174197 /nfs/dbraw/zinc/17/41/97/948174197.db2.gz JIOZIQYPTDWRJZ-JSGCOSHPSA-N 1 0 319.405 0.936 20 10 DCCDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001329565884 949687501 /nfs/dbraw/zinc/68/75/01/949687501.db2.gz LWBJINYFJUYORN-GFCCVEGCSA-N 1 0 317.389 0.822 20 10 DCCDRO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1Cc2cccc(O)c2C1 ZINC001331164864 950981575 /nfs/dbraw/zinc/98/15/75/950981575.db2.gz LDTFHOJWOIGTGR-GFCCVEGCSA-N 1 0 303.362 0.493 20 10 DCCDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001333426602 952055083 /nfs/dbraw/zinc/05/50/83/952055083.db2.gz SKOHQBJDQKGGGB-CMPLNLGQSA-N 1 0 303.362 0.478 20 10 DCCDRO COC(=O)N(C)CC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC001333722219 952141155 /nfs/dbraw/zinc/14/11/55/952141155.db2.gz OINYSEGTWRDFHB-CYBMUJFWSA-N 1 0 310.350 0.948 20 10 DCCDRO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001275949799 952553695 /nfs/dbraw/zinc/55/36/95/952553695.db2.gz KPOZWVKEUCGJPX-GJZGRUSLSA-N 1 0 319.405 0.835 20 10 DCCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001336814165 952770096 /nfs/dbraw/zinc/77/00/96/952770096.db2.gz OJBJRWFPMADUHE-QGZVFWFLSA-N 1 0 321.421 0.452 20 10 DCCDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@@H](CO)C2=O)[NH+](C)C)cc1 ZINC001336935421 952786291 /nfs/dbraw/zinc/78/62/91/952786291.db2.gz PLWVCGYLGZYUEE-KBPBESRZSA-N 1 0 320.393 0.268 20 10 DCCDRO CC(C)(O)[C@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001340173972 953151681 /nfs/dbraw/zinc/15/16/81/953151681.db2.gz WCDCUGGMEIZSKT-CQSZACIVSA-N 1 0 323.462 0.954 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@H](O)C[NH2+]3)CC2)cc1 ZINC001341514466 953234850 /nfs/dbraw/zinc/23/48/50/953234850.db2.gz HQMMZTLLNWSJSF-WMLDXEAASA-N 1 0 319.405 0.457 20 10 DCCDRO COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)CC2)cc1 ZINC001341514463 953234877 /nfs/dbraw/zinc/23/48/77/953234877.db2.gz HQMMZTLLNWSJSF-PBHICJAKSA-N 1 0 319.405 0.457 20 10 DCCDRO [NH3+]CCNCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001341799131 953251337 /nfs/dbraw/zinc/25/13/37/953251337.db2.gz SUKLKUMBLKHIGS-AWEZNQCLSA-N 1 0 307.394 0.448 20 10 DCCDRO CO[C@@H](C[NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001345636517 953694956 /nfs/dbraw/zinc/69/49/56/953694956.db2.gz GEUMVAUBPGKQFL-CABCVRRESA-N 1 0 308.426 0.445 20 10 DCCDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C[NH2+]1 ZINC001350050431 954976562 /nfs/dbraw/zinc/97/65/62/954976562.db2.gz KWRNFGCWFBFYFI-ZYHUDNBSSA-N 1 0 303.362 0.491 20 10 DCCDRO NC(=O)[C@H]1C[NH+](Cc2ccc3ccccc3c2O)C[C@@H]1C(N)=O ZINC001308883844 960187254 /nfs/dbraw/zinc/18/72/54/960187254.db2.gz WGRUKVWZAAYLQX-KBPBESRZSA-N 1 0 313.357 0.564 20 10 DCCDRO COc1cc([N+](=O)[O-])c(N2CCC([NH3+])(CO)CC2)cc1OC ZINC001472718259 1016847377 /nfs/dbraw/zinc/84/73/77/1016847377.db2.gz URKDHFCMNUJHAT-UHFFFAOYSA-N 1 0 311.338 0.902 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1F ZINC000298122653 529782056 /nfs/dbraw/zinc/78/20/56/529782056.db2.gz PKPVJZSGIAJWDY-UHFFFAOYSA-N 1 0 318.418 0.377 20 10 DCCDRO Nc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000372098794 239188166 /nfs/dbraw/zinc/18/81/66/239188166.db2.gz NOLDPMCXSHWRLF-HZPDHXFCSA-N 1 0 303.406 0.869 20 10 DCCDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1O ZINC000378056729 239245290 /nfs/dbraw/zinc/24/52/90/239245290.db2.gz RNRJXNNWHMZXAJ-VXGBXAGGSA-N 1 0 306.362 0.999 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CO)C(C)C)cc2=O ZINC000272731985 130058961 /nfs/dbraw/zinc/05/89/61/130058961.db2.gz CVGWKWLAFZJTIN-GFCCVEGCSA-N 1 0 322.365 0.718 20 10 DCCDRO CN(C)c1ccc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000237092812 395902766 /nfs/dbraw/zinc/90/27/66/395902766.db2.gz JYNIQWHXRMFYLQ-UHFFFAOYSA-N 1 0 302.378 0.440 20 10 DCCDRO CC[C@H]([NH3+])C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000269241362 396398648 /nfs/dbraw/zinc/39/86/48/396398648.db2.gz BOJSSVPOLRDCLT-INIZCTEOSA-N 1 0 320.437 0.671 20 10 DCCDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1 ZINC000291511525 415833747 /nfs/dbraw/zinc/83/37/47/415833747.db2.gz XLQSJWOVTVACLX-UHFFFAOYSA-N 1 0 300.428 0.238 20 10 DCCDRO CCC[N@H+](CCO)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000298779026 416029241 /nfs/dbraw/zinc/02/92/41/416029241.db2.gz WYJCMQCVRBLJBC-UHFFFAOYSA-N 1 0 322.365 0.816 20 10 DCCDRO C[NH2+][C@H](C)CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419704848 337491452 /nfs/dbraw/zinc/49/14/52/337491452.db2.gz HKGPDARDVLZEJY-LLVKDONJSA-N 1 0 316.405 0.827 20 10 DCCDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccccc1O ZINC000265611372 526966253 /nfs/dbraw/zinc/96/62/53/526966253.db2.gz NWIZWMGQEQPILX-ZDUSSCGKSA-N 1 0 320.393 0.531 20 10 DCCDRO O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000925789993 661071059 /nfs/dbraw/zinc/07/10/59/661071059.db2.gz ZPANPZBCAQNBGH-STQMWFEESA-N 1 0 310.419 0.746 20 10 DCCDRO COCCN(Cc1ccc(OC)c(OC)c1O)[C@H](C)C(N)=O ZINC000891948138 657943486 /nfs/dbraw/zinc/94/34/86/657943486.db2.gz FMOYAYSRGCKVIC-SNVBAGLBSA-N 1 0 312.366 0.732 20 10 DCCDRO C[C@H](NC(N)=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249663 658084790 /nfs/dbraw/zinc/08/47/90/658084790.db2.gz VKHDENLGMPIIAE-SMDDNHRTSA-N 1 0 321.425 0.528 20 10 DCCDRO COc1ccc(N2CCN(C(=O)NC[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000892102690 658186726 /nfs/dbraw/zinc/18/67/26/658186726.db2.gz JIGIAEOXLGMSHJ-LBPRGKRZSA-N 1 0 322.409 0.883 20 10 DCCDRO COc1ccc(CN2CC[N@H+](CCO)C[C@@H]2C)c(O)c1OC ZINC000894794039 662004601 /nfs/dbraw/zinc/00/46/01/662004601.db2.gz KOSADKCYYSNRQJ-LBPRGKRZSA-N 1 0 310.394 0.908 20 10 DCCDRO COc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1O ZINC000897041385 662386493 /nfs/dbraw/zinc/38/64/93/662386493.db2.gz LSIKKPDRVROVTC-CYBMUJFWSA-N 1 0 320.389 0.864 20 10 DCCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC(CO)C2)[NH+](C)C)cc1 ZINC000899101489 663123687 /nfs/dbraw/zinc/12/36/87/663123687.db2.gz ILSPLSNCSRNUTR-INIZCTEOSA-N 1 0 320.437 0.989 20 10 DCCDRO COC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000903883185 663492689 /nfs/dbraw/zinc/49/26/89/663492689.db2.gz VCQGSDHUJDQDNV-KRWDZBQOSA-N 1 0 305.422 0.943 20 10 DCCDRO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000903968774 663499567 /nfs/dbraw/zinc/49/95/67/663499567.db2.gz NXCRIKZNTAKFCG-CQSZACIVSA-N 1 0 310.419 0.488 20 10 DCCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1(O)CCC1 ZINC000905060858 663529448 /nfs/dbraw/zinc/52/94/48/663529448.db2.gz FCZTYRHNUNOLEO-MRXNPFEDSA-N 1 0 306.406 0.889 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C2(O)CCOCC2)cc1F ZINC000905076215 663530585 /nfs/dbraw/zinc/53/05/85/663530585.db2.gz NJSUMDCVIRSLPI-HNNXBMFYSA-N 1 0 312.385 0.884 20 10 DCCDRO COc1ccc(O)c(CNC(=O)C2CN(C)CC[N@H+](C)C2)c1 ZINC000907059392 663664270 /nfs/dbraw/zinc/66/42/70/663664270.db2.gz CJOQCTVCUZXVKG-UHFFFAOYSA-N 1 0 307.394 0.510 20 10 DCCDRO CCNS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908458140 663757252 /nfs/dbraw/zinc/75/72/52/663757252.db2.gz QMCUKIPVDXYNMK-CQSZACIVSA-N 1 0 314.455 0.799 20 10 DCCDRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000911158485 663994616 /nfs/dbraw/zinc/99/46/16/663994616.db2.gz LDKSVTAIBGNMFN-UHFFFAOYSA-N 1 0 314.389 0.287 20 10 DCCDRO C[NH+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920429506 665272476 /nfs/dbraw/zinc/27/24/76/665272476.db2.gz SPKHCLUBUDBQMA-UHFFFAOYSA-N 1 0 301.368 0.055 20 10 DCCDRO CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922637799 666500256 /nfs/dbraw/zinc/50/02/56/666500256.db2.gz OWIXJBOOXCOLQM-UHFFFAOYSA-N 1 0 316.379 0.538 20 10 DCCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)CS(C)(=O)=O)cc1 ZINC000922822918 666535655 /nfs/dbraw/zinc/53/56/55/666535655.db2.gz KEBSBSLSXKQSDC-XVWMLYKFSA-N 1 0 312.435 0.761 20 10 DCCDRO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861736207 666969475 /nfs/dbraw/zinc/96/94/75/666969475.db2.gz VJFGEOQFFGIRHS-JSGCOSHPSA-N 1 0 318.421 0.626 20 10 DCCDRO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1O ZINC000868235680 667545916 /nfs/dbraw/zinc/54/59/16/667545916.db2.gz DSFWWPXMQSBFQQ-STQMWFEESA-N 1 0 306.410 0.998 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868367670 667560846 /nfs/dbraw/zinc/56/08/46/667560846.db2.gz UGUZQIAZTJQRPG-KBPBESRZSA-N 1 0 317.389 0.704 20 10 DCCDRO C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000884633699 667580123 /nfs/dbraw/zinc/58/01/23/667580123.db2.gz WELZIONMQPUJEA-MBNYWOFBSA-N 1 0 318.421 0.878 20 10 DCCDRO CC[C@H](C)[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(N)=O ZINC000887059411 667842630 /nfs/dbraw/zinc/84/26/30/667842630.db2.gz UUSFGLFNZUADHI-LRDDRELGSA-N 1 0 320.437 0.858 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872320615 667890838 /nfs/dbraw/zinc/89/08/38/667890838.db2.gz DUVCLYBKJYGZRP-GASCZTMLSA-N 1 0 303.406 0.947 20 10 DCCDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(N)cc1 ZINC000873112480 667974108 /nfs/dbraw/zinc/97/41/08/667974108.db2.gz TUKMIPSMIUUSNF-UONOGXRCSA-N 1 0 302.378 0.902 20 10 DCCDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(N)cc1 ZINC000873112478 667974136 /nfs/dbraw/zinc/97/41/36/667974136.db2.gz TUKMIPSMIUUSNF-KBPBESRZSA-N 1 0 302.378 0.902 20 10 DCCDRO O=S1(=O)CCN(c2ccc(CNC3=[NH+]CCCN3)cc2)CC1 ZINC000750544714 667981667 /nfs/dbraw/zinc/98/16/67/667981667.db2.gz XCSXXPTYNXRTJQ-UHFFFAOYSA-N 1 0 322.434 0.360 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000875181295 668273022 /nfs/dbraw/zinc/27/30/22/668273022.db2.gz IUSXBJLNIKAIAC-CYBMUJFWSA-N 1 0 324.400 0.758 20 10 DCCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](CO)C1 ZINC000877644907 668636288 /nfs/dbraw/zinc/63/62/88/668636288.db2.gz VJAOTHPXPYSFDA-QGZVFWFLSA-N 1 0 305.422 0.632 20 10 DCCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000877721104 668642588 /nfs/dbraw/zinc/64/25/88/668642588.db2.gz VNSGQRQKYKRDHY-BETUJISGSA-N 1 0 304.346 0.838 20 10 DCCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000877726554 668643371 /nfs/dbraw/zinc/64/33/71/668643371.db2.gz DKQFQDKUDGUFIF-YMTOWFKASA-N 1 0 309.318 0.789 20 10 DCCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1CO ZINC000877764793 668646282 /nfs/dbraw/zinc/64/62/82/668646282.db2.gz PKASDXAOWDTDDS-GASCZTMLSA-N 1 0 324.396 0.695 20 10 DCCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c1 ZINC000775697113 668866502 /nfs/dbraw/zinc/86/65/02/668866502.db2.gz UQEQRRSDOQYMAQ-LLVKDONJSA-N 1 0 300.380 0.654 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C2(O)CCOCC2)c1 ZINC000930216594 668978513 /nfs/dbraw/zinc/97/85/13/668978513.db2.gz LHWRBSSRFAXDAA-XHDPSFHLSA-N 1 0 311.378 0.954 20 10 DCCDRO CN(C)c1ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000881271066 669315394 /nfs/dbraw/zinc/31/53/94/669315394.db2.gz GGYKUSRNYQKCRB-UHFFFAOYSA-N 1 0 314.437 0.840 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNc3nnc(CO)o3)cc2)CC1 ZINC000789881281 669515710 /nfs/dbraw/zinc/51/57/10/669515710.db2.gz RRBNORCIZHKWSJ-UHFFFAOYSA-N 1 0 303.366 0.926 20 10 DCCDRO CCNS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664615 669562751 /nfs/dbraw/zinc/56/27/51/669562751.db2.gz YOBNLDGRSRTGTO-UHFFFAOYSA-N 1 0 312.439 0.382 20 10 DCCDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(O)c1O ZINC000854352535 670551173 /nfs/dbraw/zinc/55/11/73/670551173.db2.gz FOLKHLJJMHATHZ-GFCCVEGCSA-N 1 0 305.378 0.526 20 10 DCCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000817919801 670952679 /nfs/dbraw/zinc/95/26/79/670952679.db2.gz YNYMEDSYBSIGFD-CYBMUJFWSA-N 1 0 318.421 0.531 20 10 DCCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000851684348 671012489 /nfs/dbraw/zinc/01/24/89/671012489.db2.gz GFYIHVSHEQGIIB-GFCCVEGCSA-N 1 0 318.421 0.409 20 10 DCCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868743 671179887 /nfs/dbraw/zinc/17/98/87/671179887.db2.gz LYVGXRJBFHGTPY-INIZCTEOSA-N 1 0 321.421 0.628 20 10 DCCDRO COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000828666938 671558203 /nfs/dbraw/zinc/55/82/03/671558203.db2.gz KCOSJIAPWSQGFX-ZWNOBZJWSA-N 1 0 321.377 0.446 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000829763923 671588460 /nfs/dbraw/zinc/58/84/60/671588460.db2.gz CPOKXMGJRMMJTF-OAHLLOKOSA-N 1 0 318.421 0.545 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCN2CCCC2=O)cc1 ZINC000832279612 671713279 /nfs/dbraw/zinc/71/32/79/671713279.db2.gz KTUMVVIHJDRFKX-HNNXBMFYSA-N 1 0 318.421 0.881 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000842036459 671977971 /nfs/dbraw/zinc/97/79/71/671977971.db2.gz RYLOBFBAZKCBMQ-AWEZNQCLSA-N 1 0 318.421 0.627 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000842036460 671977979 /nfs/dbraw/zinc/97/79/79/671977979.db2.gz RYLOBFBAZKCBMQ-CQSZACIVSA-N 1 0 318.421 0.627 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000842074132 671980726 /nfs/dbraw/zinc/98/07/26/671980726.db2.gz ZDKRMSXASDSCIW-CHWSQXEVSA-N 1 0 320.437 0.572 20 10 DCCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000842070912 671980990 /nfs/dbraw/zinc/98/09/90/671980990.db2.gz UGRANZVAAJZCTE-ZDUSSCGKSA-N 1 0 320.437 0.573 20 10 DCCDRO O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000842091581 671982062 /nfs/dbraw/zinc/98/20/62/671982062.db2.gz FWJBAGHTQAAHBA-SECBINFHSA-N 1 0 314.436 0.220 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842148847 671985652 /nfs/dbraw/zinc/98/56/52/671985652.db2.gz QWXRXNCSKGDIOL-UHFFFAOYSA-N 1 0 310.373 0.234 20 10 DCCDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000842153240 671986451 /nfs/dbraw/zinc/98/64/51/671986451.db2.gz MRUOGGJNHYFMJK-UHFFFAOYSA-N 1 0 306.410 0.355 20 10 DCCDRO C[NH2+]CCCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150902 671986541 /nfs/dbraw/zinc/98/65/41/671986541.db2.gz XVQQXGMYRCUIPQ-UHFFFAOYSA-N 1 0 318.421 0.411 20 10 DCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000842154095 671986744 /nfs/dbraw/zinc/98/67/44/671986744.db2.gz RGHVKTUQZCKGQM-UHFFFAOYSA-N 1 0 318.421 0.627 20 10 DCCDRO [NH3+][C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842171508 671988810 /nfs/dbraw/zinc/98/88/10/671988810.db2.gz TWESMQOPZPLNKG-AWEZNQCLSA-N 1 0 314.389 0.239 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)[NH3+])cc1F ZINC000842209068 671994661 /nfs/dbraw/zinc/99/46/61/671994661.db2.gz HJSYUKRXMIQTGP-LLVKDONJSA-N 1 0 324.400 0.752 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000842226473 671997213 /nfs/dbraw/zinc/99/72/13/671997213.db2.gz QXZAUZRYXGHPMH-AWEZNQCLSA-N 1 0 318.421 0.579 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000842254677 672000801 /nfs/dbraw/zinc/00/08/01/672000801.db2.gz MNADSPLMGHZHLC-GFCCVEGCSA-N 1 0 306.410 0.565 20 10 DCCDRO CC(C)N(C)S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783672 672036706 /nfs/dbraw/zinc/03/67/06/672036706.db2.gz ASWUFMDROGTZSA-AWEZNQCLSA-N 1 0 314.455 0.927 20 10 DCCDRO CO[C@@H](C)CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785408 672036710 /nfs/dbraw/zinc/03/67/10/672036710.db2.gz MSGNHAQZRZDANW-FZMZJTMJSA-N 1 0 315.439 0.707 20 10 DCCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc2c(cc1O)OCO2 ZINC000843124060 672064982 /nfs/dbraw/zinc/06/49/82/672064982.db2.gz UVRULEZBTOOQJD-NSHDSACASA-N 1 0 308.334 0.458 20 10 DCCDRO COc1ccc(N(C)CC[N@H+](C)CCC(=O)NC(N)=O)cc1 ZINC000844399054 672179682 /nfs/dbraw/zinc/17/96/82/672179682.db2.gz FEHVFYLGAOTPKH-UHFFFAOYSA-N 1 0 308.382 0.648 20 10 DCCDRO CCOc1ccc(CN2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC000846011604 672289349 /nfs/dbraw/zinc/28/93/49/672289349.db2.gz OYBAGJUBTVHZTR-UHFFFAOYSA-N 1 0 321.421 0.997 20 10 DCCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)cc(OC)n1 ZINC001020352403 693779955 /nfs/dbraw/zinc/77/99/55/693779955.db2.gz NBQQTPSQANGUTK-YUSALJHKSA-N 1 0 309.366 0.330 20 10 DCCDRO CS(=O)(=O)N1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC000041116851 1157397990 /nfs/dbraw/zinc/39/79/90/1157397990.db2.gz UUJFZODJYNJMHI-UHFFFAOYSA-N 1 0 300.380 0.611 20 10 DCCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001576610771 1164412075 /nfs/dbraw/zinc/41/20/75/1164412075.db2.gz FXXAJJUZTITYLE-BDAKNGLRSA-N 1 0 313.379 0.325 20 10 DCCDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC001576780034 1164462198 /nfs/dbraw/zinc/46/21/98/1164462198.db2.gz KWHLYEFBINZUOY-UONOGXRCSA-N 1 0 320.437 0.908 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC001578427357 1165012312 /nfs/dbraw/zinc/01/23/12/1165012312.db2.gz SESBLMBJVLKHEB-SWLSCSKDSA-N 1 0 305.378 0.842 20 10 DCCDRO C[NH2+]C[C@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001578652756 1165081531 /nfs/dbraw/zinc/08/15/31/1165081531.db2.gz NLPVMOMKEBVTKC-LBPRGKRZSA-N 1 0 316.785 0.601 20 10 DCCDRO CS(=O)(=O)C1(C(=O)N2Cc3cccc(O)c3C2)CC[NH2+]CC1 ZINC001579330471 1165273653 /nfs/dbraw/zinc/27/36/53/1165273653.db2.gz IINFBPQUEUMJRN-UHFFFAOYSA-N 1 0 324.402 0.401 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)c2nc[nH]n2)cc1C ZINC001714766124 1181532926 /nfs/dbraw/zinc/53/29/26/1181532926.db2.gz CRZURESZEWNADP-UHFFFAOYSA-N 1 0 303.366 0.984 20 10 DCCDRO C[C@@H](C[NH2+]CCCO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001733024189 1186108026 /nfs/dbraw/zinc/10/80/26/1186108026.db2.gz FERRDGZPCHGNLR-JTQLQIEISA-N 1 0 307.354 0.939 20 10 DCCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1C ZINC001048366897 754728973 /nfs/dbraw/zinc/72/89/73/754728973.db2.gz RPRQQPVNMCHSCX-TZMCWYRMSA-N 1 0 319.405 0.673 20 10 DCCDRO [NH3+]C[C@]1(F)CCCN(C(=O)CN2C(=O)CSC2=S)CC1 ZINC001157739267 762659912 /nfs/dbraw/zinc/65/99/12/762659912.db2.gz GMCYTUBMHSWKRN-LBPRGKRZSA-N 1 0 319.427 0.526 20 10 DCCDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCO)cc(OC)n1 ZINC001134870915 765718654 /nfs/dbraw/zinc/71/86/54/765718654.db2.gz BQMWKLQDWPCRTR-QWRGUYRKSA-N 1 0 311.382 0.578 20 10 DCCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001118871798 766455129 /nfs/dbraw/zinc/45/51/29/766455129.db2.gz KKHQRHHWOXNTKV-QWHCGFSZSA-N 1 0 305.378 0.607 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)[C@H](C[NH3+])OC)CC2)cc1 ZINC001119296686 766628365 /nfs/dbraw/zinc/62/83/65/766628365.db2.gz AEVGJYRIYGFCAX-HNNXBMFYSA-N 1 0 307.394 0.754 20 10 DCCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001119417342 766669047 /nfs/dbraw/zinc/66/90/47/766669047.db2.gz BDAGDFWQIXZOMD-BZPMIXESSA-N 1 0 318.421 0.783 20 10 DCCDRO C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C[C@@H](O)CO ZINC001138339963 768409355 /nfs/dbraw/zinc/40/93/55/768409355.db2.gz LOEAZGGYZASAQB-CQSZACIVSA-N 1 0 306.406 0.876 20 10 DCCDRO COc1cc(CN(C)CC(=O)N(C)C)cc(C[NH+](C)C)c1O ZINC001139256459 768463981 /nfs/dbraw/zinc/46/39/81/768463981.db2.gz CGKQYJDVRRFPDT-UHFFFAOYSA-N 1 0 309.410 0.982 20 10 DCCDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1C1CC1 ZINC001171999889 769407444 /nfs/dbraw/zinc/40/74/44/769407444.db2.gz WTNSEWOCROZXGE-XHDPSFHLSA-N 1 0 306.362 0.874 20 10 DCCDRO NC(=O)[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233760325 769443638 /nfs/dbraw/zinc/44/36/38/769443638.db2.gz FENDEVIMMNFAOW-JTQLQIEISA-N 1 0 320.267 0.977 20 10 DCCDRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 ZINC001236027752 769969336 /nfs/dbraw/zinc/96/93/36/769969336.db2.gz OKAVAGLMCDYKQV-HOCLYGCPSA-N 1 0 321.446 0.454 20 10 DCCDRO [NH3+]C[C@H]1CCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001236252833 769985651 /nfs/dbraw/zinc/98/56/51/769985651.db2.gz QOVJSFFGSSMWSI-MRXNPFEDSA-N 1 0 323.462 0.845 20 10 DCCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@@H]1[NH3+] ZINC001236361945 770007706 /nfs/dbraw/zinc/00/77/06/770007706.db2.gz YBHJDKGHVCXWCE-WPRPVWTQSA-N 1 0 300.742 0.683 20 10 DCCDRO COc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c(OC)c1 ZINC001237669152 770072292 /nfs/dbraw/zinc/07/22/92/770072292.db2.gz JHPCVIWNRIZXCF-ZDUSSCGKSA-N 1 0 308.378 0.926 20 10 DCCDRO O=S(=O)(CC1CC[NH2+]CC1)NCCc1ccc(O)c(O)c1 ZINC001238455544 770116671 /nfs/dbraw/zinc/11/66/71/770116671.db2.gz IWDZQSBCNOIGDF-UHFFFAOYSA-N 1 0 314.407 0.559 20 10 DCCDRO COc1ccc2c(c1)c1c(n2C)CCN(S(=O)(=O)CC[NH3+])C1 ZINC001239090799 770177237 /nfs/dbraw/zinc/17/72/37/770177237.db2.gz BDDRIEZGQOFGNP-UHFFFAOYSA-N 1 0 323.418 0.834 20 10 DCCDRO CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1O ZINC001203552180 772913370 /nfs/dbraw/zinc/91/33/70/772913370.db2.gz DEOLZAOBROSICI-KBPBESRZSA-N 1 0 317.389 0.656 20 10 DCCDRO COC(=O)[C@@H]1CN(Cc2cc(O)c(O)c(OC)c2)CCCO1 ZINC001204348910 772946215 /nfs/dbraw/zinc/94/62/15/772946215.db2.gz KXBRGAHXJWNWBK-ZDUSSCGKSA-N 1 0 311.334 0.870 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C(F)F)cc1C ZINC001278035355 945109761 /nfs/dbraw/zinc/10/97/61/945109761.db2.gz SENIVZKAABJTOT-NSHDSACASA-N 1 0 302.321 0.835 20 10 DCCDRO C[NH+]1CC2(C1)CCCN(C(=O)[C@H](O)Cc1ccc(O)c(O)c1)C2 ZINC001272971153 945162235 /nfs/dbraw/zinc/16/22/35/945162235.db2.gz GKLLUHKTXFKSTE-OAHLLOKOSA-N 1 0 320.389 0.555 20 10 DCCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)CC(N)=O)cc1C ZINC001268521452 940213808 /nfs/dbraw/zinc/21/38/08/940213808.db2.gz FJTVYGMKZBSMMR-ARJAWSKDSA-N 1 0 305.378 0.641 20 10 DCCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001268910445 940403961 /nfs/dbraw/zinc/40/39/61/940403961.db2.gz ZSBYWUUBMYKLSN-PBINXNQUSA-N 1 0 313.448 0.588 20 10 DCCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CN1 ZINC001246075538 945332215 /nfs/dbraw/zinc/33/22/15/945332215.db2.gz VLSSSOQLYDCMGQ-SUNKGSAMSA-N 1 0 310.350 0.014 20 10 DCCDRO O=C(Nc1nnco1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001276913780 944592045 /nfs/dbraw/zinc/59/20/45/944592045.db2.gz JACUQLPHJJUUEO-MEBBXXQBSA-N 1 0 316.317 0.941 20 10 DCCDRO Cc1ccc(C[NH2+]CCCCn2cc(C(N)=O)nn2)c(O)c1 ZINC001462339564 1013059763 /nfs/dbraw/zinc/05/97/63/1013059763.db2.gz CYDVAXHSTBDMRQ-UHFFFAOYSA-N 1 0 303.366 0.961 20 10 DCCDRO NC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2O)C[C@H]2CCCO[C@H]21 ZINC001277657992 944931343 /nfs/dbraw/zinc/93/13/43/944931343.db2.gz VTVFXHKHVZWLBB-RIEGTJTDSA-N 1 0 306.362 0.810 20 10 DCCDRO COC(=O)Cc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC001249178618 945623341 /nfs/dbraw/zinc/62/33/41/945623341.db2.gz SXIIBLCWXGITCK-HNNXBMFYSA-N 1 0 322.405 0.870 20 10 DCCDRO CCOC(=O)C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001253805819 946189933 /nfs/dbraw/zinc/18/99/33/946189933.db2.gz TUOVORADAFHUKP-INIZCTEOSA-N 1 0 322.405 0.927 20 10 DCCDRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC001322695266 946772348 /nfs/dbraw/zinc/77/23/48/946772348.db2.gz QTTXRHDQXKOGLG-JSGCOSHPSA-N 1 0 319.405 0.950 20 10 DCCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001262548785 947721244 /nfs/dbraw/zinc/72/12/44/947721244.db2.gz BEFTYMJWZOMAPE-PWSUYJOCSA-N 1 0 303.362 0.206 20 10 DCCDRO O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1Cc2cccc(O)c2C1 ZINC001329517080 949656185 /nfs/dbraw/zinc/65/61/85/949656185.db2.gz QFMUOGKAUZHKOM-ZIAGYGMSSA-N 1 0 315.373 0.587 20 10 DCCDRO C[C@@H](CNC(=O)C(=O)N1Cc2cccc(O)c2C1)[N@H+](C)C1CC1 ZINC001330587855 950532862 /nfs/dbraw/zinc/53/28/62/950532862.db2.gz LKJQNRCTOYEAGX-NSHDSACASA-N 1 0 317.389 0.833 20 10 DCCDRO Nc1ccc(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC001337069758 952805901 /nfs/dbraw/zinc/80/59/01/952805901.db2.gz ANZKVVNOSSBTMQ-HNNXBMFYSA-N 1 0 303.410 0.458 20 10 DCCDRO C[C@@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)c1ccccc1O ZINC001342406634 953288144 /nfs/dbraw/zinc/28/81/44/953288144.db2.gz TXHDFWIGIVWDSO-YPMHNXCESA-N 1 0 305.378 0.767 20 10 DCCDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001346381444 953873330 /nfs/dbraw/zinc/87/33/30/953873330.db2.gz NASHESCYLGZVKH-LRDDRELGSA-N 1 0 320.412 0.896 20 10 DCCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(OC)c(OC)cc1O ZINC001349319279 954706098 /nfs/dbraw/zinc/70/60/98/954706098.db2.gz NBDSHXFBLDEOBU-GFCCVEGCSA-N 1 0 324.377 0.746 20 10 DCCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001353145790 955945965 /nfs/dbraw/zinc/94/59/65/955945965.db2.gz CVQORIYAXBGQRE-FVQHAEBGSA-N 1 0 314.433 0.520 20 10 DCCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CC=C[C@H]1CO)cc2=O ZINC001473747501 1016965936 /nfs/dbraw/zinc/96/59/36/1016965936.db2.gz OVQUQDYWWLLUGP-NSHDSACASA-N 1 0 318.333 0.344 20 10 DCCDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nnnn1C ZINC001474290250 1017014222 /nfs/dbraw/zinc/01/42/22/1017014222.db2.gz VHTQKNYOEQRFNI-CYBMUJFWSA-N 1 0 315.425 0.813 20 10 DCCDRO COc1ccc(N2CCC(NC(=O)C[C@@H](O)C[NH3+])CC2)cc1 ZINC001521469327 1017382712 /nfs/dbraw/zinc/38/27/12/1017382712.db2.gz GSIFLQAZXODKBQ-CQSZACIVSA-N 1 0 307.394 0.490 20 10 DCCDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(O)c1O ZINC000279333650 283322369 /nfs/dbraw/zinc/32/23/69/283322369.db2.gz QKCPVIFOYMWHKV-NSHDSACASA-N 1 0 307.350 0.167 20 10 DCCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275520648 238308570 /nfs/dbraw/zinc/30/85/70/238308570.db2.gz KACYNMQGYJOOIS-DZGCQCFKSA-N 1 0 307.369 0.839 20 10 DCCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000278165580 130667647 /nfs/dbraw/zinc/66/76/47/130667647.db2.gz BYRYKJFHRJEFOD-OAHLLOKOSA-N 1 0 307.394 0.503 20 10 DCCDRO COc1ccc(N2CC[NH+](CCC(=O)NC(N)=O)CC2)cc1F ZINC000084866663 415500586 /nfs/dbraw/zinc/50/05/86/415500586.db2.gz BYOMQDWMQPKXRH-UHFFFAOYSA-N 1 0 324.356 0.541 20 10 DCCDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289882635 415731433 /nfs/dbraw/zinc/73/14/33/415731433.db2.gz MDDUFZAGWKCKIE-GFCCVEGCSA-N 1 0 311.357 0.788 20 10 DCCDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CC[C@@H]([NH3+])C1)CC2 ZINC000638017297 417282079 /nfs/dbraw/zinc/28/20/79/417282079.db2.gz FORGDFVXCOFPDE-GFCCVEGCSA-N 1 0 321.402 0.531 20 10 DCCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c(F)ccc(O)c1O ZINC000276506753 533841708 /nfs/dbraw/zinc/84/17/08/533841708.db2.gz APSKPARBSKVSPU-JTQLQIEISA-N 1 0 311.357 0.603 20 10 DCCDRO CN(C)c1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000162150595 521855291 /nfs/dbraw/zinc/85/52/91/521855291.db2.gz CGJIHZRSADICJL-INIZCTEOSA-N 1 0 308.426 0.864 20 10 DCCDRO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000840959144 661251475 /nfs/dbraw/zinc/25/14/75/661251475.db2.gz UTDZZFSJPAQTBA-ZDUSSCGKSA-N 1 0 308.378 0.937 20 10 DCCDRO COc1cc(C)cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)c1O ZINC000895254164 662156919 /nfs/dbraw/zinc/15/69/19/662156919.db2.gz OULVTWOGFGGZIC-WCQYABFASA-N 1 0 315.391 0.611 20 10 DCCDRO COc1cccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897058020 662387637 /nfs/dbraw/zinc/38/76/37/662387637.db2.gz LLLVOALGYFARTN-SNVBAGLBSA-N 1 0 300.380 0.511 20 10 DCCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC[N@H+](CCO)CC2)cc1 ZINC000989760914 662976347 /nfs/dbraw/zinc/97/63/47/662976347.db2.gz INHGFTYQLHBJTQ-UHFFFAOYSA-N 1 0 319.365 0.989 20 10 DCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)cc1F ZINC000905077017 663530855 /nfs/dbraw/zinc/53/08/55/663530855.db2.gz UXOYZPMOEKSYPL-CJNGLKHVSA-N 1 0 312.385 0.884 20 10 DCCDRO COc1nn(C)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000906091506 663598983 /nfs/dbraw/zinc/59/89/83/663598983.db2.gz HTSYXSKMRBPUBH-CQSZACIVSA-N 1 0 317.393 0.925 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)c(=O)n2C)cc1 ZINC000911666022 664096709 /nfs/dbraw/zinc/09/67/09/664096709.db2.gz GQLUYVAJDXZZKE-ZDUSSCGKSA-N 1 0 317.393 0.220 20 10 DCCDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)O)C2)cc(OC)n1 ZINC001015105387 664689662 /nfs/dbraw/zinc/68/96/62/664689662.db2.gz VZYFJFWSLHWXSM-ZYHUDNBSSA-N 1 0 309.366 0.284 20 10 DCCDRO COC[C@H](C)[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000916570990 665072761 /nfs/dbraw/zinc/07/27/61/665072761.db2.gz LYUHZJPPADXOFL-AWEZNQCLSA-N 1 0 321.421 0.968 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000916739681 665091641 /nfs/dbraw/zinc/09/16/41/665091641.db2.gz GOSPLHZECKSQQU-HZPDHXFCSA-N 1 0 316.449 0.862 20 10 DCCDRO COCC[NH+]1CCC(NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001003244422 666287074 /nfs/dbraw/zinc/28/70/74/666287074.db2.gz GEDPRYINIJJOCT-UHFFFAOYSA-N 1 0 323.393 0.939 20 10 DCCDRO C[C@@H](O)C[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032219298 666521760 /nfs/dbraw/zinc/52/17/60/666521760.db2.gz SZBGEGJYPGCBGT-SNVBAGLBSA-N 1 0 319.365 0.891 20 10 DCCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3COCC[NH2+]3)ccc21 ZINC000861567544 666945434 /nfs/dbraw/zinc/94/54/34/666945434.db2.gz HLRNYXGRGHNKLM-HNNXBMFYSA-N 1 0 318.421 0.857 20 10 DCCDRO C[NH2+]CCOCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861571081 666946139 /nfs/dbraw/zinc/94/61/39/666946139.db2.gz UKJPQYUFWUMRPM-UHFFFAOYSA-N 1 0 312.389 0.927 20 10 DCCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863753341 667175308 /nfs/dbraw/zinc/17/53/08/667175308.db2.gz RFTCWVAUQUPDBX-CYBMUJFWSA-N 1 0 320.437 0.907 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(CC)CC[NH3+] ZINC000863754171 667175926 /nfs/dbraw/zinc/17/59/26/667175926.db2.gz OIMYQLKXBHAVLP-UHFFFAOYSA-N 1 0 307.394 0.938 20 10 DCCDRO CN(Cc1ccccc1O)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000866752578 667393829 /nfs/dbraw/zinc/39/38/29/667393829.db2.gz SDTDPTZTRNYJED-UHFFFAOYSA-N 1 0 313.423 0.753 20 10 DCCDRO COCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884398192 667537224 /nfs/dbraw/zinc/53/72/24/667537224.db2.gz XYGKMUMWELVHKK-SWLSCSKDSA-N 1 0 307.394 0.754 20 10 DCCDRO CC(C)NS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785991 667589883 /nfs/dbraw/zinc/58/98/83/667589883.db2.gz YACRMYCLJBHJLH-ZDUSSCGKSA-N 1 0 300.428 0.585 20 10 DCCDRO CN(CCCO)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663028 667981935 /nfs/dbraw/zinc/98/19/35/667981935.db2.gz LMCQFUOXUDVFES-UHFFFAOYSA-N 1 0 320.437 0.962 20 10 DCCDRO CCNC(=O)C(C)(C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839618046 668125299 /nfs/dbraw/zinc/12/52/99/668125299.db2.gz FWVMXYCVHIZCHN-UHFFFAOYSA-N 1 0 320.437 0.873 20 10 DCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(N)=O)cc2F)CC1 ZINC000874439723 668187673 /nfs/dbraw/zinc/18/76/73/668187673.db2.gz KLULKPIKTGHCPN-UHFFFAOYSA-N 1 0 308.357 0.069 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC(F)C3)CC2)cc1 ZINC000759051202 668205077 /nfs/dbraw/zinc/20/50/77/668205077.db2.gz WZGROBHFIQHRFW-INIZCTEOSA-N 1 0 323.412 0.832 20 10 DCCDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC000877593852 668632213 /nfs/dbraw/zinc/63/22/13/668632213.db2.gz HHKAUURYJZBGCX-CYBMUJFWSA-N 1 0 306.362 0.954 20 10 DCCDRO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775259254 668859945 /nfs/dbraw/zinc/85/99/45/668859945.db2.gz PTRGOXNEQOWQRZ-GFCCVEGCSA-N 1 0 320.393 0.629 20 10 DCCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775375064 668861749 /nfs/dbraw/zinc/86/17/49/668861749.db2.gz IGMDFJUEXGMLSZ-JTQLQIEISA-N 1 0 302.396 0.991 20 10 DCCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](CO)C3)cc2)CC1 ZINC000775689265 668866655 /nfs/dbraw/zinc/86/66/55/668866655.db2.gz BERIXEDBFLUSLR-QGZVFWFLSA-N 1 0 305.422 0.632 20 10 DCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)c1 ZINC000930217525 668978610 /nfs/dbraw/zinc/97/86/10/668978610.db2.gz XFAZPNNCOKPCMJ-MQIPJXDCSA-N 1 0 311.378 0.954 20 10 DCCDRO Cc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)c(O)c1O ZINC000780946189 669021850 /nfs/dbraw/zinc/02/18/50/669021850.db2.gz XCTWUZCBEZHSSC-UHFFFAOYSA-N 1 0 308.378 0.983 20 10 DCCDRO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccccc1O ZINC000783517729 669159729 /nfs/dbraw/zinc/15/97/29/669159729.db2.gz JMCMHOAHEPAVOL-LBPRGKRZSA-N 1 0 314.407 0.705 20 10 DCCDRO COc1ccc(N2CC[NH+](C[C@@H](O)[C@H](C)O)CC2)c(OC)c1 ZINC000931531750 669218510 /nfs/dbraw/zinc/21/85/10/669218510.db2.gz HZIBSZQEDCOJAH-SWLSCSKDSA-N 1 0 310.394 0.568 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000785438682 669258267 /nfs/dbraw/zinc/25/82/67/669258267.db2.gz FGVIZHFWHZVZHX-AWEZNQCLSA-N 1 0 318.421 0.579 20 10 DCCDRO C[N@H+](C[C@H](O)Cn1cc(COc2ccc(N)cc2)nn1)C1CC1 ZINC000881420610 669340504 /nfs/dbraw/zinc/34/05/04/669340504.db2.gz MDBSEDXNECNXHY-HNNXBMFYSA-N 1 0 317.393 0.894 20 10 DCCDRO Cn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000881852943 669399008 /nfs/dbraw/zinc/39/90/08/669399008.db2.gz HEEMBMKAICVQJL-UHFFFAOYSA-N 1 0 314.393 0.497 20 10 DCCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000788376611 669434942 /nfs/dbraw/zinc/43/49/42/669434942.db2.gz ABQRLRBKPLICEW-WBMJQRKESA-N 1 0 322.405 0.971 20 10 DCCDRO COc1cccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1O ZINC000036828426 670198347 /nfs/dbraw/zinc/19/83/47/670198347.db2.gz XRJJBMRNOOJGKC-UHFFFAOYSA-N 1 0 314.407 0.914 20 10 DCCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCc3nnnn3CC1)OCO2 ZINC000817419895 670920242 /nfs/dbraw/zinc/92/02/42/670920242.db2.gz ZEVUVRKFZSQWLZ-JTQLQIEISA-N 1 0 303.322 0.602 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000817950000 670955955 /nfs/dbraw/zinc/95/59/55/670955955.db2.gz PQTSKDRVZJULBX-CQSZACIVSA-N 1 0 319.405 0.951 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)CCOC3C[NH2+]C3)C2)cc1 ZINC000851639666 671002537 /nfs/dbraw/zinc/00/25/37/671002537.db2.gz JCTJFCQBNJALJE-ZDUSSCGKSA-N 1 0 319.405 0.769 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000851685144 671013104 /nfs/dbraw/zinc/01/31/04/671013104.db2.gz NOHRRGZGTILSAT-UHFFFAOYSA-N 1 0 318.421 0.757 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000851691246 671015958 /nfs/dbraw/zinc/01/59/58/671015958.db2.gz GDOFNKVAIABVFE-LBPRGKRZSA-N 1 0 307.394 0.855 20 10 DCCDRO COc1ccc(N2CCN(CC[NH2+]CCC(N)=O)CC2)cc1 ZINC000818982781 671082875 /nfs/dbraw/zinc/08/28/75/671082875.db2.gz REGIOIBKKJEKLV-UHFFFAOYSA-N 1 0 306.410 0.282 20 10 DCCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2)cc1 ZINC000852844705 671172473 /nfs/dbraw/zinc/17/24/73/671172473.db2.gz YWIOVLRKDZDPOJ-BBRMVZONSA-N 1 0 320.437 0.669 20 10 DCCDRO COc1ccc(N2CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000852854532 671175084 /nfs/dbraw/zinc/17/50/84/671175084.db2.gz JIADSWMVLNQFBT-CQSZACIVSA-N 1 0 318.377 0.447 20 10 DCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852872432 671181460 /nfs/dbraw/zinc/18/14/60/671181460.db2.gz MIFXIGVETYKNMP-LLVKDONJSA-N 1 0 304.350 0.582 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852895586 671189298 /nfs/dbraw/zinc/18/92/98/671189298.db2.gz FDSDRTNDUATMKK-JKSUJKDBSA-N 1 0 321.421 0.954 20 10 DCCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000852916505 671194357 /nfs/dbraw/zinc/19/43/57/671194357.db2.gz KXBAGGDTZIMFGQ-FVQHAEBGSA-N 1 0 315.417 0.729 20 10 DCCDRO CN(CC(=O)NCC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000111235819 671226316 /nfs/dbraw/zinc/22/63/16/671226316.db2.gz XHFOUMZSOFOHBT-UHFFFAOYSA-N 1 0 307.394 0.855 20 10 DCCDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853538658 671241502 /nfs/dbraw/zinc/24/15/02/671241502.db2.gz IOLSXHOXDGGOSK-SMDDNHRTSA-N 1 0 320.345 0.845 20 10 DCCDRO CN(C)c1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)cc1F ZINC000827902007 671539393 /nfs/dbraw/zinc/53/93/93/671539393.db2.gz YPCPNAGFOHQDRR-UHFFFAOYSA-N 1 0 320.372 0.762 20 10 DCCDRO COc1ccc(O)c([C@H](C)NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000828667239 671558205 /nfs/dbraw/zinc/55/82/05/671558205.db2.gz OQIWMXLXSPAMDY-JTQLQIEISA-N 1 0 319.365 0.832 20 10 DCCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC(=O)N2C)cc1 ZINC000832284049 671713121 /nfs/dbraw/zinc/71/31/21/671713121.db2.gz HCZPNXTVTAJQRB-KBPBESRZSA-N 1 0 304.394 0.489 20 10 DCCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000832300537 671713946 /nfs/dbraw/zinc/71/39/46/671713946.db2.gz YPYWUJMLGDKSMM-MFKMUULPSA-N 1 0 313.423 0.302 20 10 DCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000842035298 671977528 /nfs/dbraw/zinc/97/75/28/671977528.db2.gz FCFKQSFIFJNBKT-QGZVFWFLSA-N 1 0 318.421 0.566 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NCC[NH2+]C)cc1F ZINC000842208155 671994479 /nfs/dbraw/zinc/99/44/79/671994479.db2.gz AMJPUCWSDDIXHJ-UHFFFAOYSA-N 1 0 324.400 0.624 20 10 DCCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000842207620 671994735 /nfs/dbraw/zinc/99/47/35/671994735.db2.gz OLESVXNUQRXXAC-CYBMUJFWSA-N 1 0 320.437 0.955 20 10 DCCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000842227094 671997254 /nfs/dbraw/zinc/99/72/54/671997254.db2.gz YHWHPAMONJSFFI-CYBMUJFWSA-N 1 0 305.378 0.609 20 10 DCCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000842231019 671998173 /nfs/dbraw/zinc/99/81/73/671998173.db2.gz CQHCUZZYHSOIRS-CQSZACIVSA-N 1 0 318.421 0.579 20 10 DCCDRO COC[C@H](C)S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784754 672036800 /nfs/dbraw/zinc/03/68/00/672036800.db2.gz LOBJDFHYUUWXFJ-FZMZJTMJSA-N 1 0 315.439 0.707 20 10 DCCDRO COc1cc(O)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000843124651 672065177 /nfs/dbraw/zinc/06/51/77/672065177.db2.gz IKRUYZLPCCHEQL-AWEZNQCLSA-N 1 0 321.421 0.889 20 10 DCCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000843260581 672076330 /nfs/dbraw/zinc/07/63/30/672076330.db2.gz FTTPVJLJRPSQQT-STQMWFEESA-N 1 0 320.437 0.953 20 10 DCCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCN2C(N)=O)cc1 ZINC000843298792 672080094 /nfs/dbraw/zinc/08/00/94/672080094.db2.gz PVMKYMZYXRJMAD-KGLIPLIRSA-N 1 0 319.409 0.412 20 10 DCCDRO CCN1C[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1=O ZINC000843296425 672080127 /nfs/dbraw/zinc/08/01/27/672080127.db2.gz CSKBOQLGQXKUGJ-UKRRQHHQSA-N 1 0 318.421 0.737 20 10 DCCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843433845 672094624 /nfs/dbraw/zinc/09/46/24/672094624.db2.gz FGGUVROAOTXPLD-GHMZBOCLSA-N 1 0 309.318 0.477 20 10 DCCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000846032609 672290570 /nfs/dbraw/zinc/29/05/70/672290570.db2.gz FYYUGAJFCBBQJM-GFCCVEGCSA-N 1 0 314.407 0.914 20 10 DCCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000846696896 672338785 /nfs/dbraw/zinc/33/87/85/672338785.db2.gz JITFJPLIWZDCPI-CQSZACIVSA-N 1 0 321.421 0.968 20 10 DCCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CNC(=O)N2)cc1C ZINC001567553686 1160417909 /nfs/dbraw/zinc/41/79/09/1160417909.db2.gz VOWFOSXNTSRXFG-CYBMUJFWSA-N 1 0 320.393 0.233 20 10 DCCDRO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc2cc(O)c(O)cc2s1 ZINC001580706993 1165693341 /nfs/dbraw/zinc/69/33/41/1165693341.db2.gz LILSBQPLZPGLCU-LDYMZIIASA-N 1 0 308.359 0.623 20 10 DCCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(O)C[NH2+]C1 ZINC001580713981 1165696222 /nfs/dbraw/zinc/69/62/22/1165696222.db2.gz PJNTVTYCBKPWBC-UHFFFAOYSA-N 1 0 302.378 0.196 20 10 DCCDRO O=S(=O)(CC1C[NH2+]C1)NCCCSc1nccs1 ZINC001580863536 1165730455 /nfs/dbraw/zinc/73/04/55/1165730455.db2.gz RHMAQXQJOVHJHC-UHFFFAOYSA-N 1 0 307.466 0.764 20 10 DCCDRO Cc1cc(O)c(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c(Cl)c1 ZINC001659753893 1173935239 /nfs/dbraw/zinc/93/52/39/1173935239.db2.gz KNDIUVNKGPDFHL-RKDXNWHRSA-N 1 0 311.769 0.373 20 10 DCCDRO CC(C)c1ccc(O)c(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC001665358694 1174510470 /nfs/dbraw/zinc/51/04/70/1174510470.db2.gz CKBWZHWGQRPIDF-CHWSQXEVSA-N 1 0 305.378 0.534 20 10 DCCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC(N)=O)cc1C ZINC001668004283 1174744606 /nfs/dbraw/zinc/74/46/06/1174744606.db2.gz HJHIAHWDJBRJAD-LBPRGKRZSA-N 1 0 307.394 0.863 20 10 DCCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)cc1C ZINC001690616932 1177283802 /nfs/dbraw/zinc/28/38/02/1177283802.db2.gz SNVPZSOAHLJCJQ-WCQYABFASA-N 1 0 320.393 0.279 20 10 DCCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2ccon2)cc1C ZINC001700782921 1178739786 /nfs/dbraw/zinc/73/97/86/1178739786.db2.gz DFJAYKSRUPOLDL-ZDUSSCGKSA-N 1 0 319.361 0.872 20 10 DCCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C(N)=O)C2)cc1C ZINC001707087920 1180415855 /nfs/dbraw/zinc/41/58/55/1180415855.db2.gz LSLJPVXZMNIWMO-JOCQHMNTSA-N 1 0 305.378 0.473 20 10 DCCDRO CNC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753194134 1185177232 /nfs/dbraw/zinc/17/72/32/1185177232.db2.gz FFZLVIBJHBTITA-UHFFFAOYSA-N 1 0 322.409 0.481 20 10 DCCDRO