smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000723674922 802922823 /nfs/dbraw/zinc/92/28/23/802922823.db2.gz KPXSAFVHPVPJRI-JTQLQIEISA-N 2 0 299.212 2.325 20 10 CECDRP COc1cc(O)c(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC001205046267 809063756 /nfs/dbraw/zinc/06/37/56/809063756.db2.gz AISMBZGXRYRHNJ-UHFFFAOYSA-N 2 0 284.787 2.225 20 10 CECDRP COc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1O ZINC000700819770 809357882 /nfs/dbraw/zinc/35/78/82/809357882.db2.gz TXGKXKKPEVKBNO-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP CC1([NH3+])CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000704594056 809739154 /nfs/dbraw/zinc/73/91/54/809739154.db2.gz CLGUQLGOTQLLOR-UHFFFAOYSA-N 2 0 254.761 2.359 20 10 CECDRP C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C[NH3+] ZINC000708898788 809937643 /nfs/dbraw/zinc/93/76/43/809937643.db2.gz APDJIEFJEXLONP-MWLCHTKSSA-N 2 0 299.212 2.181 20 10 CECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC000923503699 810105755 /nfs/dbraw/zinc/10/57/55/810105755.db2.gz LDNFUURRVMDTAZ-JQWIXIFHSA-N 2 0 294.370 2.151 20 10 CECDRP CN1CCCc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc21 ZINC001206163354 815349819 /nfs/dbraw/zinc/34/98/19/815349819.db2.gz BUPFADBAAHPETF-HZPDHXFCSA-N 2 0 291.414 2.330 20 10 CECDRP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3O)C[C@H]2C1 ZINC001140623200 816306949 /nfs/dbraw/zinc/30/69/49/816306949.db2.gz KMESMNKLCOTSNI-HZPDHXFCSA-N 2 0 274.408 2.474 20 10 CECDRP [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912396 /nfs/dbraw/zinc/91/23/96/373912396.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 2 0 290.382 2.447 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1N(C)C ZINC000293212264 377474018 /nfs/dbraw/zinc/47/40/18/377474018.db2.gz UZPIAAGBUIIVCM-INIZCTEOSA-N 2 0 275.440 2.445 20 10 CECDRP CC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000020146010 171031967 /nfs/dbraw/zinc/03/19/67/171031967.db2.gz NQSZCKTYARQMTG-UHFFFAOYSA-N 2 0 261.413 2.327 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000049553249 260664191 /nfs/dbraw/zinc/66/41/91/260664191.db2.gz GGRPWUHBVLYWTI-RYUDHWBXSA-N 2 0 266.385 2.392 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185008873 262038077 /nfs/dbraw/zinc/03/80/77/262038077.db2.gz XKJGCELCPGDFKY-AWEZNQCLSA-N 2 0 280.412 2.320 20 10 CECDRP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC)c1O ZINC000230744767 333321373 /nfs/dbraw/zinc/32/13/73/333321373.db2.gz UBMDVHQUWYYFEV-UHFFFAOYSA-N 2 0 266.385 2.174 20 10 CECDRP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902467032 634684992 /nfs/dbraw/zinc/68/49/92/634684992.db2.gz KNXOWKRSVVRPNC-LOHPEHISSA-N 2 0 250.317 2.075 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925796985 628841702 /nfs/dbraw/zinc/84/17/02/628841702.db2.gz MPTASUSMJQMRNY-FRRDWIJNSA-N 2 0 278.396 2.297 20 10 CECDRP COc1cc(C)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000894172296 629188242 /nfs/dbraw/zinc/18/82/42/629188242.db2.gz HHWNKSTWTUPOGA-ZDUSSCGKSA-N 2 0 290.407 2.283 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000843129232 631770073 /nfs/dbraw/zinc/77/00/73/631770073.db2.gz OEEQVDNNUHVJCN-GHMZBOCLSA-N 2 0 252.358 2.006 20 10 CECDRP CCOc1cccc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1O ZINC000897621554 631826698 /nfs/dbraw/zinc/82/66/98/631826698.db2.gz IBDZFYLOTSPFBA-WMLDXEAASA-N 2 0 290.407 2.174 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887683 633752090 /nfs/dbraw/zinc/75/20/90/633752090.db2.gz CDBBDTVYTMWYMY-KBPBESRZSA-N 2 0 293.480 2.455 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000817954081 633798921 /nfs/dbraw/zinc/79/89/21/633798921.db2.gz BIMQVMLQPNUIPT-RYUDHWBXSA-N 2 0 264.369 2.051 20 10 CECDRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1O ZINC000817964553 633806687 /nfs/dbraw/zinc/80/66/87/633806687.db2.gz CITPKBRQSITGHB-QMMMGPOBSA-N 2 0 285.185 2.025 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2c1c(F)ccc2O ZINC000817964678 633806884 /nfs/dbraw/zinc/80/68/84/633806884.db2.gz DBTBCYLXXNJQFR-ZHAHWJHGSA-N 2 0 264.344 2.407 20 10 CECDRP CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000904353227 635585651 /nfs/dbraw/zinc/58/56/51/635585651.db2.gz JJWVZFODBCIOJY-GOSISDBHSA-N 2 0 298.434 2.001 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410566 635616684 /nfs/dbraw/zinc/61/66/84/635616684.db2.gz OQWIUXGPQADDIN-LSDHHAIUSA-N 2 0 275.440 2.478 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000906518010 636765209 /nfs/dbraw/zinc/76/52/09/636765209.db2.gz MVIIKWFNGFCYSG-XYPYZODXSA-N 2 0 287.329 2.351 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841087126 637537404 /nfs/dbraw/zinc/53/74/04/637537404.db2.gz NBADVLLGPVCQSA-ZFWWWQNUSA-N 2 0 260.381 2.356 20 10 CECDRP C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000841032352 639624169 /nfs/dbraw/zinc/62/41/69/639624169.db2.gz BMMJMXDAOYUVEZ-GXTWGEPZSA-N 2 0 279.403 2.369 20 10 CECDRP C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000841033272 639625487 /nfs/dbraw/zinc/62/54/87/639625487.db2.gz MIKXXSAMAMJVGQ-MNOVXSKESA-N 2 0 252.333 2.009 20 10 CECDRP CCOCc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC ZINC000841035250 639627487 /nfs/dbraw/zinc/62/74/87/639627487.db2.gz GXXUOWCLEPBFHE-CQSZACIVSA-N 2 0 292.423 2.321 20 10 CECDRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000228537558 639641240 /nfs/dbraw/zinc/64/12/40/639641240.db2.gz JIJQCWKKEAFYER-NWANDNLSSA-N 2 0 290.407 2.350 20 10 CECDRP Oc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841090452 639653593 /nfs/dbraw/zinc/65/35/93/639653593.db2.gz YCVPTPUGUWRDIO-CYBMUJFWSA-N 2 0 264.344 2.296 20 10 CECDRP Cc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000843047577 640252821 /nfs/dbraw/zinc/25/28/21/640252821.db2.gz XTHDJVVUAAPTHD-YIONKMFJSA-N 2 0 260.381 2.415 20 10 CECDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048520 640252944 /nfs/dbraw/zinc/25/29/44/640252944.db2.gz FDSFQFMWAZUSNG-HNNXBMFYSA-N 2 0 261.413 2.313 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000843059206 640261012 /nfs/dbraw/zinc/26/10/12/640261012.db2.gz GEADEVANBDSKQG-NWANDNLSSA-N 2 0 260.381 2.260 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(O)c1 ZINC000843112657 640285487 /nfs/dbraw/zinc/28/54/87/640285487.db2.gz KWZXPBOXMGIWGZ-CYBMUJFWSA-N 2 0 278.396 2.352 20 10 CECDRP Oc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843127290 640294639 /nfs/dbraw/zinc/29/46/39/640294639.db2.gz PNNVOKUQGOGKBG-AWEZNQCLSA-N 2 0 260.381 2.214 20 10 CECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1O ZINC000843377581 640411349 /nfs/dbraw/zinc/41/13/49/640411349.db2.gz DIMUPFDRAYDSKN-LBPRGKRZSA-N 2 0 294.370 2.295 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]CCC[NH+](C)C)c1O ZINC000846136493 641198104 /nfs/dbraw/zinc/19/81/04/641198104.db2.gz IZKCWCGPCKMVCM-LLVKDONJSA-N 2 0 252.358 2.003 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000846703820 641403629 /nfs/dbraw/zinc/40/36/29/641403629.db2.gz QLINSTAQXHMYMC-ZFWWWQNUSA-N 2 0 261.413 2.373 20 10 CECDRP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000849349575 642340149 /nfs/dbraw/zinc/34/01/49/642340149.db2.gz ANHLACMNERVUFG-UHFFFAOYSA-N 2 0 254.761 2.407 20 10 CECDRP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1N(C)C ZINC000923516015 643747314 /nfs/dbraw/zinc/74/73/14/643747314.db2.gz QSRGKQZOVWZWMO-JKSUJKDBSA-N 2 0 273.424 2.102 20 10 CECDRP CCc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877739428 650880810 /nfs/dbraw/zinc/88/08/10/650880810.db2.gz FUCZOVXXBGYEJP-HOCLYGCPSA-N 2 0 274.408 2.481 20 10 CECDRP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C2)cc1 ZINC000854218286 644014035 /nfs/dbraw/zinc/01/40/35/644014035.db2.gz VHLSCFIRTLQRTR-HUUCEWRRSA-N 2 0 291.439 2.381 20 10 CECDRP COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000854224668 644016105 /nfs/dbraw/zinc/01/61/05/644016105.db2.gz YGFONYLAEHLYDJ-NSHDSACASA-N 2 0 292.379 2.101 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000770352397 646381976 /nfs/dbraw/zinc/38/19/76/646381976.db2.gz NLDIEIVAAZUKMW-HIFRSBDPSA-N 2 0 290.407 2.317 20 10 CECDRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(O)c1 ZINC000862352915 646408486 /nfs/dbraw/zinc/40/84/86/646408486.db2.gz JCRVITHSHDGDHM-CYBMUJFWSA-N 2 0 278.396 2.363 20 10 CECDRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(N(C)C)cc1 ZINC000863542015 646750969 /nfs/dbraw/zinc/75/09/69/646750969.db2.gz DGHQQDCWXHLFCW-MRXNPFEDSA-N 2 0 279.428 2.029 20 10 CECDRP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2c1c(F)ccc2O ZINC000863541041 646751171 /nfs/dbraw/zinc/75/11/71/646751171.db2.gz IUAGGNIYEVVUHR-JQWIXIFHSA-N 2 0 294.370 2.177 20 10 CECDRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(N(C)C)cc1 ZINC000863542014 646752084 /nfs/dbraw/zinc/75/20/84/646752084.db2.gz DGHQQDCWXHLFCW-INIZCTEOSA-N 2 0 279.428 2.029 20 10 CECDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000779025979 647283116 /nfs/dbraw/zinc/28/31/16/647283116.db2.gz RTTNGQCBZIXMPC-MRXNPFEDSA-N 2 0 292.423 2.325 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1O ZINC000873222214 649595870 /nfs/dbraw/zinc/59/58/70/649595870.db2.gz GWKSBVGWCWKMTP-LBPRGKRZSA-N 2 0 278.396 2.269 20 10 CECDRP CCc1cccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1O ZINC000697849248 806709430 /nfs/dbraw/zinc/70/94/30/806709430.db2.gz QCWOBSNYUCQQSQ-GFCCVEGCSA-N 2 0 250.386 2.384 20 10 CECDRP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000723888126 802963868 /nfs/dbraw/zinc/96/38/68/802963868.db2.gz WFVLLCZSQXCFIY-CHWSQXEVSA-N 2 0 278.396 2.208 20 10 CECDRP Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1O ZINC000702405370 809551229 /nfs/dbraw/zinc/55/12/29/809551229.db2.gz NYFSRCJFLFCVQG-ZBFHGGJFSA-N 2 0 260.381 2.084 20 10 CECDRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C(F)(F)F ZINC000704353290 809730085 /nfs/dbraw/zinc/73/00/85/809730085.db2.gz YFWLSSSFQXNQQY-RYUDHWBXSA-N 2 0 288.313 2.351 20 10 CECDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001118122296 810056806 /nfs/dbraw/zinc/05/68/06/810056806.db2.gz STWSSBJNESLAFU-ZOUHWKOYSA-N 2 0 258.365 2.056 20 10 CECDRP Nc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001120269614 810619056 /nfs/dbraw/zinc/61/90/56/810619056.db2.gz VVLJOJRQOXIRHT-MRXNPFEDSA-N 2 0 273.424 2.480 20 10 CECDRP COc1cc(C[NH+]2CCCCC2)cc(C[NH+](C)C)c1O ZINC001139253578 815997070 /nfs/dbraw/zinc/99/70/70/815997070.db2.gz YXOGBSJACVGNRD-UHFFFAOYSA-N 2 0 278.396 2.448 20 10 CECDRP Cc1ccc(C)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001140183311 816205642 /nfs/dbraw/zinc/20/56/42/816205642.db2.gz BMFSKXYKKGOAPV-RHSMWYFYSA-N 2 0 274.408 2.393 20 10 CECDRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001206293403 816522071 /nfs/dbraw/zinc/52/20/71/816522071.db2.gz HLLMOXGYFYVAAR-OAHLLOKOSA-N 2 0 264.369 2.049 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375471797 374659776 /nfs/dbraw/zinc/65/97/76/374659776.db2.gz IESZCJPNBKMQFM-UHFFFAOYSA-N 2 0 290.407 2.461 20 10 CECDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252672932 334384845 /nfs/dbraw/zinc/38/48/45/334384845.db2.gz FFWANYUIQZTHRI-CABCVRRESA-N 2 0 260.381 2.417 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000090720993 623499930 /nfs/dbraw/zinc/49/99/30/623499930.db2.gz PCOSUZSMJNLATG-UKRRQHHQSA-N 2 0 261.413 2.325 20 10 CECDRP CCCN1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000328166558 627863989 /nfs/dbraw/zinc/86/39/89/627863989.db2.gz IZNNOMGFERTLEZ-HNNXBMFYSA-N 2 0 261.413 2.327 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)c2c1c(F)ccc2O ZINC000817937114 633787882 /nfs/dbraw/zinc/78/78/82/633787882.db2.gz TXHBCXRNJZGMOD-BXKDBHETSA-N 2 0 264.344 2.421 20 10 CECDRP COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903461875 635127084 /nfs/dbraw/zinc/12/70/84/635127084.db2.gz ZJDLJBRHBNALAO-CABCVRRESA-N 2 0 291.439 2.191 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000904420529 635631911 /nfs/dbraw/zinc/63/19/11/635631911.db2.gz RQYOFHCNPWGLTB-NWDGAFQWSA-N 2 0 280.799 2.395 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841085705 637394278 /nfs/dbraw/zinc/39/42/78/637394278.db2.gz BCCSQKGMBLNCIT-CZUORRHYSA-N 2 0 290.407 2.365 20 10 CECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834620969 637892166 /nfs/dbraw/zinc/89/21/66/637892166.db2.gz ZHVSPVVNXNTYNG-LSDHHAIUSA-N 2 0 292.423 2.326 20 10 CECDRP COc1ccc(O)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000835063706 638045678 /nfs/dbraw/zinc/04/56/78/638045678.db2.gz PIBGJJTVIMAVER-UHFFFAOYSA-N 2 0 278.396 2.365 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000841028521 639621176 /nfs/dbraw/zinc/62/11/76/639621176.db2.gz AKLMIUAEZYZEEJ-CJNGLKHVSA-N 2 0 261.413 2.278 20 10 CECDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]C1 ZINC000841032872 639625502 /nfs/dbraw/zinc/62/55/02/639625502.db2.gz GPABYYXFIZNBHE-SWLSCSKDSA-N 2 0 260.381 2.099 20 10 CECDRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841055255 639634583 /nfs/dbraw/zinc/63/45/83/639634583.db2.gz MQRKPOJNAATIOP-NEPJUHHUSA-N 2 0 254.761 2.405 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841056927 639634731 /nfs/dbraw/zinc/63/47/31/639634731.db2.gz FZPRZFFOGBJNLY-JTQLQIEISA-N 2 0 254.761 2.277 20 10 CECDRP CCOc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)c(O)c1 ZINC000841065578 639641515 /nfs/dbraw/zinc/64/15/15/639641515.db2.gz QTWXUAOJCFICLZ-UHFFFAOYSA-N 2 0 264.369 2.023 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843123844 640291157 /nfs/dbraw/zinc/29/11/57/640291157.db2.gz QIGYUXPLKLUOLV-INIZCTEOSA-N 2 0 260.381 2.276 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843124240 640291277 /nfs/dbraw/zinc/29/12/77/640291277.db2.gz WJQQPJJJHDKCQU-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846142289 641199356 /nfs/dbraw/zinc/19/93/56/641199356.db2.gz ZVKIHDFJTONYLT-QWHCGFSZSA-N 2 0 278.396 2.393 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1O ZINC000846170244 641212040 /nfs/dbraw/zinc/21/20/40/641212040.db2.gz MVPDPCQLGCXWCC-NWDGAFQWSA-N 2 0 266.385 2.249 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252861333 641591517 /nfs/dbraw/zinc/59/15/17/641591517.db2.gz NLZNUUCMCVIGPL-BHYGNILZSA-N 2 0 273.424 2.312 20 10 CECDRP CCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000107797369 642103157 /nfs/dbraw/zinc/10/31/57/642103157.db2.gz JNJGTFGSZBUUDJ-UHFFFAOYSA-N 2 0 261.413 2.328 20 10 CECDRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923282745 643638473 /nfs/dbraw/zinc/63/84/73/643638473.db2.gz PWVXKHAEBWDFKH-MRXNPFEDSA-N 2 0 275.440 2.492 20 10 CECDRP CC[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(C)cc1O ZINC000854226174 644016319 /nfs/dbraw/zinc/01/63/19/644016319.db2.gz DRBFJUYWEBEAFU-CXOJTPOUSA-N 2 0 260.381 2.493 20 10 CECDRP Cc1cccc(O)c1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743054 650888375 /nfs/dbraw/zinc/88/83/75/650888375.db2.gz TUDPNUHVEJONRF-HIFRSBDPSA-N 2 0 260.381 2.227 20 10 CECDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000839183312 644182368 /nfs/dbraw/zinc/18/23/68/644182368.db2.gz WFAGAINRNUGRMD-AWEZNQCLSA-N 2 0 274.408 2.443 20 10 CECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768464822 646128362 /nfs/dbraw/zinc/12/83/62/646128362.db2.gz AVMWVOFWJCWSNE-CQSZACIVSA-N 2 0 292.423 2.483 20 10 CECDRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000863544091 646752588 /nfs/dbraw/zinc/75/25/88/646752588.db2.gz KQLINEBIXCICDZ-CYBMUJFWSA-N 2 0 288.391 2.432 20 10 CECDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000793771597 648796075 /nfs/dbraw/zinc/79/60/75/648796075.db2.gz ZHEBJKOQYIHCBC-GOSISDBHSA-N 2 0 286.419 2.409 20 10 CECDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000872252514 649329021 /nfs/dbraw/zinc/32/90/21/649329021.db2.gz RZZBOYMGNUFSAC-OAHLLOKOSA-N 2 0 274.408 2.489 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c(O)c1 ZINC000873222251 649595863 /nfs/dbraw/zinc/59/58/63/649595863.db2.gz ILBGGBBSQUDYBM-LBPRGKRZSA-N 2 0 278.396 2.269 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873270190 649619777 /nfs/dbraw/zinc/61/97/77/649619777.db2.gz YKSPGQFCVNHLPG-NEPJUHHUSA-N 2 0 278.396 2.440 20 10 CECDRP Nc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001120268795 815209430 /nfs/dbraw/zinc/20/94/30/815209430.db2.gz JIOGDWYUMQGYQI-OAHLLOKOSA-N 2 0 259.397 2.090 20 10 CECDRP CCOc1cccc(C[NH+]2CCC(C)([NH3+])CC2)c1O ZINC000704545264 809736991 /nfs/dbraw/zinc/73/69/91/809736991.db2.gz FWZMDVOFDYKANZ-UHFFFAOYSA-N 2 0 264.369 2.104 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206201234 815740644 /nfs/dbraw/zinc/74/06/44/815740644.db2.gz WLIBFGDWOWVUDX-UONOGXRCSA-N 2 0 282.359 2.052 20 10 CECDRP COc1cc(C[N@@H+]2CC[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255600 815996796 /nfs/dbraw/zinc/99/67/96/815996796.db2.gz PLVVKDMVJMSFCV-LBPRGKRZSA-N 2 0 278.396 2.304 20 10 CECDRP CN1CCC([N@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139114 816483278 /nfs/dbraw/zinc/48/32/78/816483278.db2.gz JNADZZAYYGIIFT-UHFFFAOYSA-N 2 0 289.423 2.041 20 10 CECDRP CN(C)c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271848588 373203387 /nfs/dbraw/zinc/20/33/87/373203387.db2.gz SNJVFHOSGJQARD-UHFFFAOYSA-N 2 0 259.397 2.104 20 10 CECDRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2O)C1 ZINC000290565331 328259417 /nfs/dbraw/zinc/25/94/17/328259417.db2.gz SQNQZWXDSZRNDV-ZFWWWQNUSA-N 2 0 260.381 2.308 20 10 CECDRP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2c1OCC2 ZINC000037649483 526428517 /nfs/dbraw/zinc/42/85/17/526428517.db2.gz FUNXFYLJHBBFAL-CQSZACIVSA-N 2 0 272.392 2.195 20 10 CECDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000216020678 628768379 /nfs/dbraw/zinc/76/83/79/628768379.db2.gz MLSJHRBHVAZBOQ-NXEZZACHSA-N 2 0 254.761 2.215 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902519209 634712404 /nfs/dbraw/zinc/71/24/04/634712404.db2.gz XYWGMOCLUSVOQX-JJRVBVJISA-N 2 0 292.471 2.071 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978751 635395206 /nfs/dbraw/zinc/39/52/06/635395206.db2.gz WJQWHAAUBQXKNL-GDBMZVCRSA-N 2 0 275.440 2.478 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033404 631824587 /nfs/dbraw/zinc/82/45/87/631824587.db2.gz SZLYSKDTCDOBFN-JTQLQIEISA-N 2 0 254.761 2.135 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036379 631928394 /nfs/dbraw/zinc/92/83/94/631928394.db2.gz MEEIKCKDJGPKEU-SNVBAGLBSA-N 2 0 254.761 2.135 20 10 CECDRP Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000841038237 632058171 /nfs/dbraw/zinc/05/81/71/632058171.db2.gz HXCMDTFWQAYKKN-ZACQAIPSSA-N 2 0 273.424 2.322 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000816642268 633455403 /nfs/dbraw/zinc/45/54/03/633455403.db2.gz VCSDTKHEKXSVFX-QGZVFWFLSA-N 2 0 290.407 2.319 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000817903505 633763802 /nfs/dbraw/zinc/76/38/02/633763802.db2.gz QBESFDDPOUIGSD-ZIAGYGMSSA-N 2 0 291.439 2.379 20 10 CECDRP CCN(CC)c1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1F ZINC000817903490 633764331 /nfs/dbraw/zinc/76/43/31/633764331.db2.gz PVXQVOQRBPDCAE-GFCCVEGCSA-N 2 0 279.403 2.369 20 10 CECDRP C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H]1CCC[NH2+]C1 ZINC000817947501 633793297 /nfs/dbraw/zinc/79/32/97/633793297.db2.gz OTMHCDQAECZQQF-FPMFFAJLSA-N 2 0 260.381 2.357 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000817947113 633793393 /nfs/dbraw/zinc/79/33/93/633793393.db2.gz KOEKPIWTHAUCCX-AGIUHOORSA-N 2 0 278.396 2.440 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000817954082 633798668 /nfs/dbraw/zinc/79/86/68/633798668.db2.gz BIMQVMLQPNUIPT-VXGBXAGGSA-N 2 0 264.369 2.051 20 10 CECDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[C@H]21 ZINC000817957715 633800231 /nfs/dbraw/zinc/80/02/31/633800231.db2.gz OMYBXRIVUXEZSS-YESZJQIVSA-N 2 0 273.424 2.274 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000817969014 633811244 /nfs/dbraw/zinc/81/12/44/633811244.db2.gz PJNLQUAAIFCMHR-NEPJUHHUSA-N 2 0 264.369 2.194 20 10 CECDRP Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(O)c1 ZINC000817976433 633820154 /nfs/dbraw/zinc/82/01/54/633820154.db2.gz MAVAAACEGPQWON-DOMZBBRYSA-N 2 0 260.381 2.493 20 10 CECDRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(cc1O)CCCC2 ZINC000817977136 633820246 /nfs/dbraw/zinc/82/02/46/633820246.db2.gz CFWCUDXGSHRKQU-MGJUMRQLSA-N 2 0 272.392 2.139 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000817985576 633828452 /nfs/dbraw/zinc/82/84/52/633828452.db2.gz FPCIBZVLIUYVMA-LXTVHRRPSA-N 2 0 272.392 2.357 20 10 CECDRP CCC1([NH3+])CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000903947034 635379155 /nfs/dbraw/zinc/37/91/55/635379155.db2.gz KDQJSSKLJOAPIE-UHFFFAOYSA-N 2 0 264.369 2.104 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955248 635389501 /nfs/dbraw/zinc/38/95/01/635389501.db2.gz NSZWQVMELUHSSV-JTQLQIEISA-N 2 0 290.741 2.380 20 10 CECDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355221 635586529 /nfs/dbraw/zinc/58/65/29/635586529.db2.gz LRWRFXNWRVZAQQ-MRXNPFEDSA-N 2 0 274.408 2.489 20 10 CECDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841029057 639621096 /nfs/dbraw/zinc/62/10/96/639621096.db2.gz FCLNWCCFORSUBK-HUUCEWRRSA-N 2 0 260.381 2.229 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(O)c1 ZINC000841028717 639621246 /nfs/dbraw/zinc/62/12/46/639621246.db2.gz CPBBMTKNDOJMBH-SWLSCSKDSA-N 2 0 278.396 2.398 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000841028488 639621368 /nfs/dbraw/zinc/62/13/68/639621368.db2.gz HKRHFUAXCPSOHI-ARJAWSKDSA-N 2 0 259.397 2.107 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032498 639624108 /nfs/dbraw/zinc/62/41/08/639624108.db2.gz FNTXTUJKJJGTFE-CQSZACIVSA-N 2 0 261.413 2.150 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000841057501 639635495 /nfs/dbraw/zinc/63/54/95/639635495.db2.gz IXSBHOSIJRPBQB-LLCTXKFZSA-N 2 0 273.424 2.498 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841078743 639648512 /nfs/dbraw/zinc/64/85/12/639648512.db2.gz JPMROXMIXAZOQP-ZDUSSCGKSA-N 2 0 266.772 2.277 20 10 CECDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841085212 639650571 /nfs/dbraw/zinc/65/05/71/639650571.db2.gz XBATVYFPUSDYIF-CABZTGNLSA-N 2 0 254.761 2.263 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC000841101052 639656338 /nfs/dbraw/zinc/65/63/38/639656338.db2.gz NHOSMKBNFDUDST-TZMCWYRMSA-N 2 0 278.396 2.208 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000841100811 639666604 /nfs/dbraw/zinc/66/66/04/639666604.db2.gz KPQKJDHVXKXCBT-JSGCOSHPSA-N 2 0 278.396 2.208 20 10 CECDRP CCN(CC)c1ccc(C[N@H+](C)CCC[NH3+])cc1F ZINC000843050877 640254995 /nfs/dbraw/zinc/25/49/95/640254995.db2.gz TVJWQBMZKTXLBL-UHFFFAOYSA-N 2 0 267.392 2.453 20 10 CECDRP C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000843052790 640256238 /nfs/dbraw/zinc/25/62/38/640256238.db2.gz WJIHVJJPTNKREU-AYUWKEHRSA-N 2 0 273.424 2.435 20 10 CECDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052446 640256531 /nfs/dbraw/zinc/25/65/31/640256531.db2.gz UEPDNEDXDGHJQW-JSGCOSHPSA-N 2 0 279.403 2.451 20 10 CECDRP COc1cccc(O)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843125930 640292515 /nfs/dbraw/zinc/29/25/15/640292515.db2.gz CRRVYEZPXMOCQD-AWEZNQCLSA-N 2 0 290.407 2.222 20 10 CECDRP COc1cccc(C[NH2+]CCCCCC[NH3+])c1O ZINC000843127036 640293205 /nfs/dbraw/zinc/29/32/05/640293205.db2.gz MEWGVOACVSAUEE-UHFFFAOYSA-N 2 0 252.358 2.010 20 10 CECDRP COc1cccc(O)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843127297 640294469 /nfs/dbraw/zinc/29/44/69/640294469.db2.gz DTMUJOPZMKUKNS-UHFFFAOYSA-N 2 0 272.348 2.149 20 10 CECDRP [NH3+]CC1(CC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000844902580 640860107 /nfs/dbraw/zinc/86/01/07/640860107.db2.gz RNOAFFVWKFHITH-UHFFFAOYSA-N 2 0 254.761 2.264 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000844923669 640867202 /nfs/dbraw/zinc/86/72/02/640867202.db2.gz HEGTYJOFPUDERC-GFCCVEGCSA-N 2 0 278.396 2.441 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252870856 641592108 /nfs/dbraw/zinc/59/21/08/641592108.db2.gz SPCVDHPUDCHZKK-AEGPPILISA-N 2 0 260.381 2.260 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000070148670 641636976 /nfs/dbraw/zinc/63/69/76/641636976.db2.gz RKDGBWOUVXVBRY-ZDUSSCGKSA-N 2 0 264.369 2.104 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169392 641639593 /nfs/dbraw/zinc/63/95/93/641639593.db2.gz WOVIGAMHFHAMII-AWEZNQCLSA-N 2 0 261.413 2.313 20 10 CECDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183418338 641732693 /nfs/dbraw/zinc/73/26/93/641732693.db2.gz AWOMZALDZQTHDF-GJZGRUSLSA-N 2 0 291.439 2.069 20 10 CECDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183418377 641732785 /nfs/dbraw/zinc/73/27/85/641732785.db2.gz AWOMZALDZQTHDF-LSDHHAIUSA-N 2 0 291.439 2.069 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000848561914 642054984 /nfs/dbraw/zinc/05/49/84/642054984.db2.gz DKPSQQIMGXQHHO-XBXGTLAGSA-N 2 0 278.396 2.221 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(C)c1O ZINC000757945868 644861396 /nfs/dbraw/zinc/86/13/96/644861396.db2.gz IUBZBCSRADOPIU-UHFFFAOYSA-N 2 0 280.412 2.149 20 10 CECDRP Cc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)c(O)c1C ZINC000774379755 646840730 /nfs/dbraw/zinc/84/07/30/646840730.db2.gz FVZSALXMDYKICP-AWEZNQCLSA-N 2 0 280.412 2.238 20 10 CECDRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1C ZINC000873222386 649596154 /nfs/dbraw/zinc/59/61/54/649596154.db2.gz PYSFTMNOYQIFMI-ZDUSSCGKSA-N 2 0 262.397 2.481 20 10 CECDRP COc1cc(Cl)cc(CN2CCC[C@@H]([NH3+])CC2)c1O ZINC001205116735 807702808 /nfs/dbraw/zinc/70/28/08/807702808.db2.gz HKRVYGRLIJHGIK-GFCCVEGCSA-N 2 0 284.787 2.367 20 10 CECDRP Nc1ccc(C[NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246168511 813718581 /nfs/dbraw/zinc/71/85/81/813718581.db2.gz FHXUPFPDCSIBLI-HOTGVXAUSA-N 2 0 259.397 2.281 20 10 CECDRP CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206201233 815740917 /nfs/dbraw/zinc/74/09/17/815740917.db2.gz WLIBFGDWOWVUDX-KGLIPLIRSA-N 2 0 282.359 2.052 20 10 CECDRP CC[N@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180225235 368373165 /nfs/dbraw/zinc/37/31/65/368373165.db2.gz OAZOTJRRSGBDTF-GFCCVEGCSA-N 2 0 266.360 2.305 20 10 CECDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000183506377 395257893 /nfs/dbraw/zinc/25/78/93/395257893.db2.gz ZCZQCRCPATTXBT-LSDHHAIUSA-N 2 0 292.423 2.280 20 10 CECDRP [NH3+][C@@H]1Cc2ccccc2N(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662282174 415748408 /nfs/dbraw/zinc/74/84/08/415748408.db2.gz SZFLGDLRTDXFGG-QGZVFWFLSA-N 2 0 293.414 2.222 20 10 CECDRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2O)C1 ZINC000290565328 328259431 /nfs/dbraw/zinc/25/94/31/328259431.db2.gz SQNQZWXDSZRNDV-HIFRSBDPSA-N 2 0 260.381 2.308 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000249384350 334333064 /nfs/dbraw/zinc/33/30/64/334333064.db2.gz XEGHISNCAZAXPC-OLZOCXBDSA-N 2 0 278.396 2.393 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)c1O ZINC000037644036 521365549 /nfs/dbraw/zinc/36/55/49/521365549.db2.gz UYBMXJLRAOEISU-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000070188950 623120205 /nfs/dbraw/zinc/12/02/05/623120205.db2.gz POXKECHEWATSBS-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000090720997 623543464 /nfs/dbraw/zinc/54/34/64/623543464.db2.gz PCOSUZSMJNLATG-HIFRSBDPSA-N 2 0 261.413 2.325 20 10 CECDRP COc1cccc(O)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000725848914 625827822 /nfs/dbraw/zinc/82/78/22/625827822.db2.gz CRPCXGMQHIOVBM-ZDUSSCGKSA-N 2 0 278.396 2.221 20 10 CECDRP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc2c(cc1O)CCCC2 ZINC000902407831 634622102 /nfs/dbraw/zinc/62/21/02/634622102.db2.gz VQJZJHGWOHKFOI-NSHDSACASA-N 2 0 260.381 2.413 20 10 CECDRP CC1(C)[C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925692529 628511136 /nfs/dbraw/zinc/51/11/36/628511136.db2.gz MAPKCRSOUYYAKX-PMPSAXMXSA-N 2 0 273.424 2.178 20 10 CECDRP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)ccc1O ZINC000902469828 634685630 /nfs/dbraw/zinc/68/56/30/634685630.db2.gz RKVCOPRSLPMYJL-LOHPEHISSA-N 2 0 250.317 2.075 20 10 CECDRP Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000178892823 629236264 /nfs/dbraw/zinc/23/62/64/629236264.db2.gz LGQDJMKGMSOHIC-AWEZNQCLSA-N 2 0 262.397 2.393 20 10 CECDRP COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000894911671 629750548 /nfs/dbraw/zinc/75/05/48/629750548.db2.gz JIZAUKSTJCAURF-GOOCMWNKSA-N 2 0 290.407 2.424 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841064678 632383590 /nfs/dbraw/zinc/38/35/90/632383590.db2.gz SMQIQUIHCXLWHV-SKDRFNHKSA-N 2 0 299.212 2.242 20 10 CECDRP C[C@H]([NH2+]CCC[NH3+])c1cc(Br)ccc1O ZINC000817938500 633789215 /nfs/dbraw/zinc/78/92/15/633789215.db2.gz LSHJIGZJGXGYHT-QMMMGPOBSA-N 2 0 273.174 2.154 20 10 CECDRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817946002 633792146 /nfs/dbraw/zinc/79/21/46/633792146.db2.gz PNWUHPNYMLVSKK-MNOVXSKESA-N 2 0 252.333 2.182 20 10 CECDRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1O ZINC000817972963 633815367 /nfs/dbraw/zinc/81/53/67/633815367.db2.gz QOSBBBDICBZVED-BDAKNGLRSA-N 2 0 287.201 2.461 20 10 CECDRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)ccc1O ZINC000817984613 633826427 /nfs/dbraw/zinc/82/64/27/633826427.db2.gz VUQAIVHXSFIGJC-SNVBAGLBSA-N 2 0 252.333 2.324 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000817987133 633828213 /nfs/dbraw/zinc/82/82/13/633828213.db2.gz WODYMFHQWIDXOG-LBPRGKRZSA-N 2 0 276.380 2.361 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818431622 633921403 /nfs/dbraw/zinc/92/14/03/633921403.db2.gz QEMZNAGYVOCSSG-ZDUSSCGKSA-N 2 0 290.407 2.365 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903973734 635391958 /nfs/dbraw/zinc/39/19/58/635391958.db2.gz FFANZSKSDVXMKL-GHMZBOCLSA-N 2 0 298.814 2.389 20 10 CECDRP c1cc2c(cc1C[NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000904354858 635586820 /nfs/dbraw/zinc/58/68/20/635586820.db2.gz JWUPMGCEUFBMEO-MRXNPFEDSA-N 2 0 272.392 2.243 20 10 CECDRP C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000904410443 635616497 /nfs/dbraw/zinc/61/64/97/635616497.db2.gz DLRKRPJVPQUTQV-WDEREUQCSA-N 2 0 268.788 2.462 20 10 CECDRP Cc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000827856436 636443262 /nfs/dbraw/zinc/44/32/62/636443262.db2.gz PHFJDFRODIALSM-MRXNPFEDSA-N 2 0 292.423 2.243 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834764523 637944219 /nfs/dbraw/zinc/94/42/19/637944219.db2.gz FHYVEYWAXDFDNH-OAHLLOKOSA-N 2 0 292.423 2.328 20 10 CECDRP Cc1cccc(O)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000876722156 650409739 /nfs/dbraw/zinc/40/97/39/650409739.db2.gz XHJSNMHRUUUGOR-UHFFFAOYSA-N 2 0 292.423 2.243 20 10 CECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cccc2O)C1 ZINC000876783280 650430355 /nfs/dbraw/zinc/43/03/55/650430355.db2.gz YOJXJJUDTJFKQM-CQSZACIVSA-N 2 0 262.397 2.474 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036340 639627623 /nfs/dbraw/zinc/62/76/23/639627623.db2.gz LNTHPJQLUUZPAP-SNVBAGLBSA-N 2 0 254.761 2.135 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000841054381 639634688 /nfs/dbraw/zinc/63/46/88/639634688.db2.gz DLDLUIMZFFGNBG-CHWSQXEVSA-N 2 0 264.369 2.150 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1O ZINC000841057297 639635424 /nfs/dbraw/zinc/63/54/24/639635424.db2.gz IWXCDHQJACVKNB-RYUDHWBXSA-N 2 0 284.787 2.414 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228537493 639641183 /nfs/dbraw/zinc/64/11/83/639641183.db2.gz NLZNUUCMCVIGPL-USXIJHARSA-N 2 0 273.424 2.312 20 10 CECDRP C[C@@H](CCC[NH3+])[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841081714 639649420 /nfs/dbraw/zinc/64/94/20/639649420.db2.gz XGRJHUXRBKHSDO-VSKVDJIOSA-N 2 0 261.413 2.483 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088525 639651792 /nfs/dbraw/zinc/65/17/92/639651792.db2.gz YWKVVVPXWFGMFB-DOMZBBRYSA-N 2 0 278.371 2.495 20 10 CECDRP c1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCC2 ZINC000841089452 639653198 /nfs/dbraw/zinc/65/31/98/639653198.db2.gz NJDUYDYMLKFWQA-HNNXBMFYSA-N 2 0 272.392 2.386 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(O)c1 ZINC000841101048 639660700 /nfs/dbraw/zinc/66/07/00/639660700.db2.gz NHOSMKBNFDUDST-JSGCOSHPSA-N 2 0 278.396 2.208 20 10 CECDRP Cc1cc(O)c(C[NH+]2CCC(OCCC[NH3+])CC2)cc1C ZINC000843056571 640258677 /nfs/dbraw/zinc/25/86/77/640258677.db2.gz QZTYAOOOCQIZJL-UHFFFAOYSA-N 2 0 292.423 2.339 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000843059204 640261684 /nfs/dbraw/zinc/26/16/84/640261684.db2.gz GEADEVANBDSKQG-AEGPPILISA-N 2 0 260.381 2.260 20 10 CECDRP C[C@@H]1C[C@H](CN2CCCc3cc(C[NH3+])ccc32)CC[NH2+]1 ZINC000843058193 640261863 /nfs/dbraw/zinc/26/18/63/640261863.db2.gz OFRIANREGZQVIK-UKRRQHHQSA-N 2 0 273.424 2.286 20 10 CECDRP CN(C)c1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1F ZINC000844911852 640864074 /nfs/dbraw/zinc/86/40/74/640864074.db2.gz PQSYRDKFXKDWCT-UHFFFAOYSA-N 2 0 279.403 2.453 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c1O ZINC000846141724 641199453 /nfs/dbraw/zinc/19/94/53/641199453.db2.gz NAEGLFBEUPKLNF-GFCCVEGCSA-N 2 0 266.385 2.393 20 10 CECDRP COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000848556702 642052161 /nfs/dbraw/zinc/05/21/61/642052161.db2.gz BRNFOKKIUOFFPD-RWMBFGLXSA-N 2 0 278.396 2.392 20 10 CECDRP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000877477405 650739368 /nfs/dbraw/zinc/73/93/68/650739368.db2.gz CRURUEKZJURCSP-OAHLLOKOSA-N 2 0 292.423 2.291 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3(C4CC4)CC3)cc2)CC1 ZINC000771843379 646558494 /nfs/dbraw/zinc/55/84/94/646558494.db2.gz PGJVLDSOHYZVAP-UHFFFAOYSA-N 2 0 285.435 2.471 20 10 CECDRP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)c2c1c(F)ccc2O ZINC000774375628 646839910 /nfs/dbraw/zinc/83/99/10/646839910.db2.gz DETWSCQTBCWJOE-AAEUAGOBSA-N 2 0 296.386 2.247 20 10 CECDRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775991131 647014496 /nfs/dbraw/zinc/01/44/96/647014496.db2.gz KPYXNGZKLTVJSE-GDBMZVCRSA-N 2 0 273.424 2.184 20 10 CECDRP CC(C)[C@H](C[NH3+])CN1CCCc2cc(C[NH3+])ccc21 ZINC000873202340 649586603 /nfs/dbraw/zinc/58/66/03/649586603.db2.gz XMTMFJDMNVPDDU-OAHLLOKOSA-N 2 0 261.413 2.129 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1C ZINC000873221342 649595528 /nfs/dbraw/zinc/59/55/28/649595528.db2.gz QRZNMKMBMNXTSF-CYBMUJFWSA-N 2 0 262.397 2.487 20 10 CECDRP C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC[NH2+]CC1 ZINC000873270474 649619704 /nfs/dbraw/zinc/61/97/04/649619704.db2.gz VBMJQBUSPJRNRN-RISCZKNCSA-N 2 0 260.381 2.357 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000132792108 652555121 /nfs/dbraw/zinc/55/51/21/652555121.db2.gz WXQMGCXPTUHTCS-UHFFFAOYSA-N 2 0 262.397 2.474 20 10 CECDRP c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001118180543 814990949 /nfs/dbraw/zinc/99/09/49/814990949.db2.gz KEDWNINYEMMZGN-WMZOPIPTSA-N 2 0 285.435 2.471 20 10 CECDRP Nc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC001120268794 815209617 /nfs/dbraw/zinc/20/96/17/815209617.db2.gz JIOGDWYUMQGYQI-HNNXBMFYSA-N 2 0 259.397 2.090 20 10 CECDRP CN1CCCc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206163353 815348709 /nfs/dbraw/zinc/34/87/09/815348709.db2.gz BUPFADBAAHPETF-HOTGVXAUSA-N 2 0 291.414 2.330 20 10 CECDRP C[C@H]1CC[C@@H](NCc2ccc(Br)cc2O)C[NH2+]1 ZINC001246341645 813793247 /nfs/dbraw/zinc/79/32/47/813793247.db2.gz BLZIIHOGVRATCZ-JOYOIKCWSA-N 2 0 299.212 2.385 20 10 CECDRP CN(C)c1ccc(CN(C)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246899104 814361736 /nfs/dbraw/zinc/36/17/36/814361736.db2.gz CPEUIKLGFIWVHN-MRXNPFEDSA-N 2 0 261.413 2.327 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1O ZINC001206292759 816518760 /nfs/dbraw/zinc/51/87/60/816518760.db2.gz DMRKDFMXUTVMLT-INIZCTEOSA-N 2 0 278.396 2.352 20 10 CECDRP Cc1cc(O)c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1C ZINC000271187057 373168815 /nfs/dbraw/zinc/16/88/15/373168815.db2.gz NQLFXZPPBRGBMQ-DZGCQCFKSA-N 2 0 260.381 2.193 20 10 CECDRP Oc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371463717 373890865 /nfs/dbraw/zinc/89/08/65/373890865.db2.gz KOTGZCZHAUGPED-OWCLPIDISA-N 2 0 272.392 2.308 20 10 CECDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1O ZINC000183408864 395256442 /nfs/dbraw/zinc/25/64/42/395256442.db2.gz DLYZAMKLQQDBMH-CQSZACIVSA-N 2 0 291.439 2.069 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000037649323 521364331 /nfs/dbraw/zinc/36/43/31/521364331.db2.gz OCMRKSZEMBIPKD-ZDUSSCGKSA-N 2 0 290.407 2.365 20 10 CECDRP Cc1ccc(O)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289375647 525339409 /nfs/dbraw/zinc/33/94/09/525339409.db2.gz BHTBDVSOHRDPGM-UHFFFAOYSA-N 2 0 293.455 2.016 20 10 CECDRP Oc1ccc(F)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278607546 526349289 /nfs/dbraw/zinc/34/92/89/526349289.db2.gz GGZSNHNPQWKCDD-UHFFFAOYSA-N 2 0 278.371 2.495 20 10 CECDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC000300417083 622876813 /nfs/dbraw/zinc/87/68/13/622876813.db2.gz KHRRLUPFSIWSQB-LERXQTSPSA-N 2 0 264.344 2.091 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)[NH3+])c1 ZINC000925739562 628701159 /nfs/dbraw/zinc/70/11/59/628701159.db2.gz YWCJGIJOYSAJNA-JTQLQIEISA-N 2 0 252.358 2.179 20 10 CECDRP c1cc2c(cc1C[NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000259042434 628788825 /nfs/dbraw/zinc/78/88/25/628788825.db2.gz PSJIHOQPXNTQGV-CYBMUJFWSA-N 2 0 260.381 2.101 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000841058823 632361709 /nfs/dbraw/zinc/36/17/09/632361709.db2.gz VUCYTCKQFDYZRH-CYBMUJFWSA-N 2 0 264.369 2.023 20 10 CECDRP C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CCC[NH2+]C1 ZINC000817947503 633793853 /nfs/dbraw/zinc/79/38/53/633793853.db2.gz OTMHCDQAECZQQF-UBHSHLNASA-N 2 0 260.381 2.357 20 10 CECDRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946162 633794028 /nfs/dbraw/zinc/79/40/28/633794028.db2.gz SRKYJKAKMOZYEQ-UONOGXRCSA-N 2 0 261.413 2.403 20 10 CECDRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817977256 633820135 /nfs/dbraw/zinc/82/01/35/633820135.db2.gz FSKZVCVYUOPYIY-CDLYGTGVSA-N 2 0 252.333 2.405 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])c1 ZINC000817978159 633821515 /nfs/dbraw/zinc/82/15/15/633821515.db2.gz XQNRFJPOLPAGBR-GHMZBOCLSA-N 2 0 252.358 2.179 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960107 635369281 /nfs/dbraw/zinc/36/92/81/635369281.db2.gz XEGGFODASWEYBO-INIZCTEOSA-N 2 0 278.371 2.497 20 10 CECDRP [NH3+]C1CC([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000906508062 636758467 /nfs/dbraw/zinc/75/84/67/636758467.db2.gz JRUFVMZYVMSJQB-UHFFFAOYSA-N 2 0 259.397 2.256 20 10 CECDRP C[N@H+](CCCC[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000835062351 638045161 /nfs/dbraw/zinc/04/51/61/638045161.db2.gz BJPXPUXCCMGTQB-UHFFFAOYSA-N 2 0 266.360 2.495 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000841033070 639625049 /nfs/dbraw/zinc/62/50/49/639625049.db2.gz KABMCBQLZKZCAK-QWHCGFSZSA-N 2 0 278.396 2.269 20 10 CECDRP Cc1cc(Br)cc(C[NH2+][C@H](C)CC[NH3+])c1O ZINC000841052253 639633523 /nfs/dbraw/zinc/63/35/23/639633523.db2.gz SLAFRNVHRFFTBU-SECBINFHSA-N 2 0 287.201 2.290 20 10 CECDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841055260 639634454 /nfs/dbraw/zinc/63/44/54/639634454.db2.gz MQRKPOJNAATIOP-VXGBXAGGSA-N 2 0 254.761 2.405 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(O)c1 ZINC000841061426 639636507 /nfs/dbraw/zinc/63/65/07/639636507.db2.gz IVJGSIFVHFZJSH-YPMHNXCESA-N 2 0 264.369 2.021 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841062683 639638060 /nfs/dbraw/zinc/63/80/60/639638060.db2.gz CKEIOHSLYAAIEM-ZWNOBZJWSA-N 2 0 268.788 2.442 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841062939 639638169 /nfs/dbraw/zinc/63/81/69/639638169.db2.gz ZNDKBKOEUSIGMF-WCQYABFASA-N 2 0 264.369 2.021 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000841066176 639640827 /nfs/dbraw/zinc/64/08/27/639640827.db2.gz WYMVSNPLONWZEI-SNAWJCMRSA-N 2 0 273.424 2.498 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1C ZINC000841072099 639643747 /nfs/dbraw/zinc/64/37/47/639643747.db2.gz GKDCLAINZNFDNR-HNNXBMFYSA-N 2 0 262.397 2.487 20 10 CECDRP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000841102853 639679818 /nfs/dbraw/zinc/67/98/18/639679818.db2.gz AGHNOGLKOFMDOQ-UHFFFAOYSA-N 2 0 256.777 2.395 20 10 CECDRP Cc1ccc(O)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843043751 640249513 /nfs/dbraw/zinc/24/95/13/640249513.db2.gz GBJUZZNRDSHRCS-UHFFFAOYSA-N 2 0 260.381 2.417 20 10 CECDRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843044975 640249745 /nfs/dbraw/zinc/24/97/45/640249745.db2.gz OGTCXMMATJMVLX-OAHLLOKOSA-N 2 0 275.440 2.492 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000843047840 640252783 /nfs/dbraw/zinc/25/27/83/640252783.db2.gz YKQPPXRWWXIYGR-OICCZTGUSA-N 2 0 273.424 2.437 20 10 CECDRP CCOc1ccc(O)c(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000843056708 640258693 /nfs/dbraw/zinc/25/86/93/640258693.db2.gz XIAQNJIERGECFQ-UHFFFAOYSA-N 2 0 266.385 2.208 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000843056605 640258707 /nfs/dbraw/zinc/25/87/07/640258707.db2.gz SBPLGCSYOFHOIJ-UHFFFAOYSA-N 2 0 263.429 2.478 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843124316 640291114 /nfs/dbraw/zinc/29/11/14/640291114.db2.gz YCTQFEPUUIGDEU-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP COc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1O ZINC000843129143 640295653 /nfs/dbraw/zinc/29/56/53/640295653.db2.gz RYWCEURHHRDRBF-UHFFFAOYSA-N 2 0 272.348 2.149 20 10 CECDRP COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000844901180 640860210 /nfs/dbraw/zinc/86/02/10/640860210.db2.gz FUSHGFRUFLFPAO-OAHLLOKOSA-N 2 0 291.439 2.063 20 10 CECDRP COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000844901179 640860567 /nfs/dbraw/zinc/86/05/67/640860567.db2.gz FUSHGFRUFLFPAO-HNNXBMFYSA-N 2 0 291.439 2.063 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000844904141 640861487 /nfs/dbraw/zinc/86/14/87/640861487.db2.gz ZVZWPDRKWRQUDV-ARJAWSKDSA-N 2 0 273.424 2.484 20 10 CECDRP CCOc1ccc(O)c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000844912366 640863702 /nfs/dbraw/zinc/86/37/02/640863702.db2.gz SPPUKHVYULHUQZ-UHFFFAOYSA-N 2 0 278.396 2.352 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000849349999 642340242 /nfs/dbraw/zinc/34/02/42/642340242.db2.gz MWDYBPBHTMRGCE-UHFFFAOYSA-N 2 0 261.413 2.422 20 10 CECDRP CCOc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1O ZINC000849349773 642340914 /nfs/dbraw/zinc/34/09/14/642340914.db2.gz IQUQNKQFCZZYFU-UHFFFAOYSA-N 2 0 264.369 2.152 20 10 CECDRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843048732 644745559 /nfs/dbraw/zinc/74/55/59/644745559.db2.gz UXGDILBKKWZJIP-MRXNPFEDSA-N 2 0 273.424 2.458 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(O)c1 ZINC000769405491 646260798 /nfs/dbraw/zinc/26/07/98/646260798.db2.gz WSAKXZASOAQDBK-CYBMUJFWSA-N 2 0 278.396 2.174 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000863651316 646777247 /nfs/dbraw/zinc/77/72/47/646777247.db2.gz IYMIVMODGHKBRC-CALCHBBNSA-N 2 0 274.408 2.440 20 10 CECDRP CN(C)c1ccc(CN(CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000873201722 649586764 /nfs/dbraw/zinc/58/67/64/649586764.db2.gz HAANTIAPWGKZGQ-UHFFFAOYSA-N 2 0 285.435 2.469 20 10 CECDRP COc1cc(O)c(C[N@H+](C)CCCCCC[NH3+])cc1OC ZINC000873231425 649602846 /nfs/dbraw/zinc/60/28/46/649602846.db2.gz ISMIVXBFVFBXEN-UHFFFAOYSA-N 2 0 296.411 2.360 20 10 CECDRP C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(Cl)ccc1O)C2 ZINC000702613513 809571258 /nfs/dbraw/zinc/57/12/58/809571258.db2.gz XIVCEAMLDXTSNO-GASCZTMLSA-N 2 0 280.799 2.477 20 10 CECDRP c1cc(N2CCCC2)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC001117953414 809663760 /nfs/dbraw/zinc/66/37/60/809663760.db2.gz GMDTZUMCRKBHBV-MRXNPFEDSA-N 2 0 273.424 2.376 20 10 CECDRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000389078109 813247066 /nfs/dbraw/zinc/24/70/66/813247066.db2.gz ZWINNDMRZVBIFJ-CYBMUJFWSA-N 2 0 262.397 2.441 20 10 CECDRP C[C@@H](CC[NH2+]Cc1cc(Cl)ccc1O)[NH+](C)C ZINC000697835602 814653155 /nfs/dbraw/zinc/65/31/55/814653155.db2.gz FVBOLESPLHAELQ-JTQLQIEISA-N 2 0 256.777 2.475 20 10 CECDRP CCC1([NH3+])CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000714754474 814913966 /nfs/dbraw/zinc/91/39/66/814913966.db2.gz VEWJZUPHJVMSAS-UHFFFAOYSA-N 2 0 261.413 2.456 20 10 CECDRP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140184750 816205795 /nfs/dbraw/zinc/20/57/95/816205795.db2.gz GXHYJSRMKNSKDW-GASCZTMLSA-N 2 0 274.408 2.393 20 10 CECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC3)cc2)CC1 ZINC001140300394 816227538 /nfs/dbraw/zinc/22/75/38/816227538.db2.gz OAKTYFIALIJSQX-UHFFFAOYSA-N 2 0 259.397 2.034 20 10 CECDRP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140623201 816305888 /nfs/dbraw/zinc/30/58/88/816305888.db2.gz KMESMNKLCOTSNI-IYBDPMFKSA-N 2 0 274.408 2.474 20 10 CECDRP C[N@H+]1CC=C(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000271821326 344667485 /nfs/dbraw/zinc/66/74/85/344667485.db2.gz NAMBYUVRTDITOY-UHFFFAOYSA-N 2 0 266.772 2.397 20 10 CECDRP COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290626969 344684384 /nfs/dbraw/zinc/68/43/84/344684384.db2.gz XOWGWACDBOMLPG-SWLSCSKDSA-N 2 0 278.396 2.173 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000113322831 364887176 /nfs/dbraw/zinc/88/71/76/364887176.db2.gz XYKMXWIPLNZHQL-UHFFFAOYSA-N 2 0 298.814 2.248 20 10 CECDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280389 368376085 /nfs/dbraw/zinc/37/60/85/368376085.db2.gz SGRJFCSVXHKMJN-DOMZBBRYSA-N 2 0 278.371 2.447 20 10 CECDRP CCOc1cccc(C[NH2+][C@H](C)CC[NH+](C)C)c1O ZINC000049553122 394549790 /nfs/dbraw/zinc/54/97/90/394549790.db2.gz JDZWTMXNRZPTNK-GFCCVEGCSA-N 2 0 266.385 2.221 20 10 CECDRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccccc1O ZINC000155114101 261098208 /nfs/dbraw/zinc/09/82/08/261098208.db2.gz PRAYOTLGCASLST-HNNXBMFYSA-N 2 0 280.412 2.401 20 10 CECDRP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000092253760 327191253 /nfs/dbraw/zinc/19/12/53/327191253.db2.gz BHCUGGIDTIDXLM-CYBMUJFWSA-N 2 0 278.396 2.174 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408222 522209340 /nfs/dbraw/zinc/20/93/40/522209340.db2.gz SLPSOCJEXKAUMG-HNNXBMFYSA-N 2 0 273.424 2.327 20 10 CECDRP c1cc2c(cc1C[NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000259042239 628788512 /nfs/dbraw/zinc/78/85/12/628788512.db2.gz PPPGLIUSFFKNOP-AWEZNQCLSA-N 2 0 260.381 2.101 20 10 CECDRP CCOc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(O)c1 ZINC000895298470 630087737 /nfs/dbraw/zinc/08/77/37/630087737.db2.gz XAGMTFGDRDMQNZ-GFCCVEGCSA-N 2 0 266.385 2.221 20 10 CECDRP Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420935 635632976 /nfs/dbraw/zinc/63/29/76/635632976.db2.gz JGDKEWFFCXHQNI-WDEREUQCSA-N 2 0 266.772 2.087 20 10 CECDRP C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C[NH3+] ZINC000163442076 631586226 /nfs/dbraw/zinc/58/62/26/631586226.db2.gz KGHBBNJMCHHLCD-PWSUYJOCSA-N 2 0 268.788 2.462 20 10 CECDRP CCCC[C@@H](CN)[NH2+]Cc1cccc(OCC)c1O ZINC000841029773 631813778 /nfs/dbraw/zinc/81/37/78/631813778.db2.gz RXTAJJBQILUQEU-ZDUSSCGKSA-N 2 0 266.385 2.398 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033405 631824221 /nfs/dbraw/zinc/82/42/21/631824221.db2.gz SZLYSKDTCDOBFN-SNVBAGLBSA-N 2 0 254.761 2.135 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000841034383 631842015 /nfs/dbraw/zinc/84/20/15/631842015.db2.gz ABQBYPLWWIRYDD-QDLOVBKTSA-N 2 0 273.424 2.355 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841037515 632035100 /nfs/dbraw/zinc/03/51/00/632035100.db2.gz UYURHSKGFQEORP-AWEZNQCLSA-N 2 0 261.413 2.150 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])ccc21 ZINC000817901449 633763089 /nfs/dbraw/zinc/76/30/89/633763089.db2.gz VSRUNXDXCWLXGT-LSDHHAIUSA-N 2 0 259.397 2.038 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000817964787 633805801 /nfs/dbraw/zinc/80/58/01/633805801.db2.gz IOWPVLHGTBVKTE-LBPRGKRZSA-N 2 0 278.396 2.441 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000817970849 633812984 /nfs/dbraw/zinc/81/29/84/633812984.db2.gz GFJAMLSQVWPGJY-UHIISALHSA-N 2 0 264.369 2.049 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970770 633813220 /nfs/dbraw/zinc/81/32/20/633813220.db2.gz DWGUFMMGPJRVTO-GRYCIOLGSA-N 2 0 264.369 2.192 20 10 CECDRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1O ZINC000817970713 633813503 /nfs/dbraw/zinc/81/35/03/633813503.db2.gz CPXVZKNHNZINKO-SCVCMEIPSA-N 2 0 252.333 2.322 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000817977003 633820301 /nfs/dbraw/zinc/82/03/01/633820301.db2.gz YXYNFEIIYAKSID-TZMCWYRMSA-N 2 0 258.365 2.111 20 10 CECDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1O ZINC000817981411 633824999 /nfs/dbraw/zinc/82/49/99/633824999.db2.gz JANJIQKRVWPGCO-DGCLKSJQSA-N 2 0 298.814 2.383 20 10 CECDRP Cc1cccc(O)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000876689964 650401884 /nfs/dbraw/zinc/40/18/84/650401884.db2.gz CROCKNIVWOEBMD-UHFFFAOYSA-N 2 0 262.397 2.474 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044534959 639322076 /nfs/dbraw/zinc/32/20/76/639322076.db2.gz RIDCNRAHBOMUQX-STQMWFEESA-N 2 0 278.396 2.393 20 10 CECDRP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000841030609 639622649 /nfs/dbraw/zinc/62/26/49/639622649.db2.gz ORTPHOUEZOYSPL-YIONKMFJSA-N 2 0 260.381 2.376 20 10 CECDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841035384 639628112 /nfs/dbraw/zinc/62/81/12/639628112.db2.gz NJKNHNHOAULTKW-BBRMVZONSA-N 2 0 261.413 2.131 20 10 CECDRP Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000841049520 639632128 /nfs/dbraw/zinc/63/21/28/639632128.db2.gz SYKUUOLVXUEVRJ-VIFPVBQESA-N 2 0 287.201 2.148 20 10 CECDRP COCC1(C[NH2+]Cc2cc(Cl)ccc2O)CC[NH2+]CC1 ZINC000841068985 639642093 /nfs/dbraw/zinc/64/20/93/639642093.db2.gz ZETYOGJIUFCZGR-UHFFFAOYSA-N 2 0 298.814 2.151 20 10 CECDRP CN(C)c1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000841072092 639643368 /nfs/dbraw/zinc/64/33/68/639643368.db2.gz GEZXCQKFGFOSDF-HNNXBMFYSA-N 2 0 261.413 2.374 20 10 CECDRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1O ZINC000841078320 639647568 /nfs/dbraw/zinc/64/75/68/639647568.db2.gz AUOHRZYPALETQR-SECBINFHSA-N 2 0 287.201 2.372 20 10 CECDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000841084523 639650515 /nfs/dbraw/zinc/65/05/15/639650515.db2.gz KFPXFGAKUOIWCZ-JOYOIKCWSA-N 2 0 299.212 2.372 20 10 CECDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000841100091 639663199 /nfs/dbraw/zinc/66/31/99/639663199.db2.gz UKZHDDCFTGYOLX-DOTOQJQBSA-N 2 0 290.407 2.111 20 10 CECDRP Cc1cc(O)c(C[NH2+]CCOCC[NH+](C)C)c(Cl)c1 ZINC000842205541 639977551 /nfs/dbraw/zinc/97/75/51/639977551.db2.gz HJQCXWXNNSKRFF-UHFFFAOYSA-N 2 0 286.803 2.022 20 10 CECDRP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000877041944 650544105 /nfs/dbraw/zinc/54/41/05/650544105.db2.gz PLIGVHCAFHTXRT-MRXNPFEDSA-N 2 0 292.423 2.027 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000843060220 640263033 /nfs/dbraw/zinc/26/30/33/640263033.db2.gz YEJMOBGIXJVJQV-MAZHCROVSA-N 2 0 290.407 2.350 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000843107553 640283365 /nfs/dbraw/zinc/28/33/65/640283365.db2.gz OVJXDTOGUGDPBI-UHFFFAOYSA-N 2 0 261.413 2.374 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120158 640289085 /nfs/dbraw/zinc/28/90/85/640289085.db2.gz DZACGQKWRGSZTQ-UHFFFAOYSA-N 2 0 264.344 2.107 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843124238 640290300 /nfs/dbraw/zinc/29/03/00/640290300.db2.gz WJQQPJJJHDKCQU-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000843126593 640293415 /nfs/dbraw/zinc/29/34/15/640293415.db2.gz LAPWMSADHLXTIY-UHFFFAOYSA-N 2 0 260.381 2.276 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1O ZINC000846158504 641206985 /nfs/dbraw/zinc/20/69/85/641206985.db2.gz HRQQJCXBHYGPJP-GFCCVEGCSA-N 2 0 276.380 2.313 20 10 CECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2O)C1 ZINC000180550376 641467468 /nfs/dbraw/zinc/46/74/68/641467468.db2.gz JFBNIOQVCYOINZ-ZDUSSCGKSA-N 2 0 278.396 2.174 20 10 CECDRP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000252667499 641580908 /nfs/dbraw/zinc/58/09/08/641580908.db2.gz KPODXWJHSJXVKY-KBPBESRZSA-N 2 0 276.380 2.117 20 10 CECDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000070171806 641641194 /nfs/dbraw/zinc/64/11/94/641641194.db2.gz KMYLCFWXEKEZOZ-UKRRQHHQSA-N 2 0 261.413 2.312 20 10 CECDRP [NH3+]C[C@@H]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000877428011 650716420 /nfs/dbraw/zinc/71/64/20/650716420.db2.gz REEZAXAFAUVKRK-XAQJJABOSA-N 2 0 299.418 2.021 20 10 CECDRP Cc1cccc(O)c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000877623599 650818347 /nfs/dbraw/zinc/81/83/47/650818347.db2.gz UVOIOXOXPPZLOC-HNNXBMFYSA-N 2 0 293.455 2.062 20 10 CECDRP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C2)cc1 ZINC000854218288 644013963 /nfs/dbraw/zinc/01/39/63/644013963.db2.gz VHLSCFIRTLQRTR-LSDHHAIUSA-N 2 0 291.439 2.381 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2c1c(F)ccc2O ZINC000863541049 646751105 /nfs/dbraw/zinc/75/11/05/646751105.db2.gz IUAGGNIYEVVUHR-ZYHUDNBSSA-N 2 0 294.370 2.177 20 10 CECDRP Cc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c(O)c1C ZINC000774379759 646840476 /nfs/dbraw/zinc/84/04/76/646840476.db2.gz FVZSALXMDYKICP-CQSZACIVSA-N 2 0 280.412 2.238 20 10 CECDRP COc1cccc(O)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872251173 649328734 /nfs/dbraw/zinc/32/87/34/649328734.db2.gz HDPHWYXCYNCAFK-LBPRGKRZSA-N 2 0 278.396 2.269 20 10 CECDRP C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC[NH2+]CC1 ZINC000873222293 649595939 /nfs/dbraw/zinc/59/59/39/649595939.db2.gz LBVMYXLJWIKVFZ-LBPRGKRZSA-N 2 0 279.403 2.369 20 10 CECDRP COc1cccc(O)c1C[N@H+](C)CCCCCC[NH3+] ZINC000873231259 649602604 /nfs/dbraw/zinc/60/26/04/649602604.db2.gz BGLKWANZKFAFJU-UHFFFAOYSA-N 2 0 266.385 2.352 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128093989 651362933 /nfs/dbraw/zinc/36/29/33/651362933.db2.gz KPYGUAVDDCEKSU-ZIAGYGMSSA-N 2 0 276.380 2.117 20 10 CECDRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000130620939 652297439 /nfs/dbraw/zinc/29/74/39/652297439.db2.gz JIJQCWKKEAFYER-CFVMTHIKSA-N 2 0 290.407 2.350 20 10 CECDRP C[NH+](C)C1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001168297998 806635023 /nfs/dbraw/zinc/63/50/23/806635023.db2.gz VEICIQXLDWKAPP-UHFFFAOYSA-N 2 0 278.396 2.103 20 10 CECDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000723670774 802922954 /nfs/dbraw/zinc/92/29/54/802922954.db2.gz NZNFADBFBJYCEM-SNVBAGLBSA-N 2 0 254.761 2.216 20 10 CECDRP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC001118960206 815058372 /nfs/dbraw/zinc/05/83/72/815058372.db2.gz WARHOBZGLOIZGV-STQMWFEESA-N 2 0 290.407 2.346 20 10 CECDRP C[NH+](C)C1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC000715534328 808759973 /nfs/dbraw/zinc/75/99/73/808759973.db2.gz RICFSDQMTYFTKD-UHFFFAOYSA-N 2 0 264.369 2.060 20 10 CECDRP C[NH+]1CC2(C1)CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137839760 809858905 /nfs/dbraw/zinc/85/89/05/809858905.db2.gz IOLXJMYNRFNNCQ-UHFFFAOYSA-N 2 0 264.344 2.059 20 10 CECDRP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1C[NH3+] ZINC000708891567 809937712 /nfs/dbraw/zinc/93/77/12/809937712.db2.gz YUOCMBLFWYROMZ-GXSJLCMTSA-N 2 0 254.761 2.072 20 10 CECDRP CCc1cccc(C[NH2+]CCCC[NH+](C)C)c1O ZINC000691485430 811952224 /nfs/dbraw/zinc/95/22/24/811952224.db2.gz ZVAUQBUYTFYCGC-UHFFFAOYSA-N 2 0 250.386 2.386 20 10 CECDRP CCc1cccc(C[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000691516445 811991292 /nfs/dbraw/zinc/99/12/92/811991292.db2.gz XVAKJJCOOORHBQ-GFCCVEGCSA-N 2 0 259.353 2.329 20 10 CECDRP Cc1c(O)ccc(C[N@H+](C)CCC[NH+]2CCCC2)c1O ZINC001140745269 816341399 /nfs/dbraw/zinc/34/13/99/816341399.db2.gz CIXYRZNTXJRHKV-UHFFFAOYSA-N 2 0 278.396 2.324 20 10 CECDRP [O-]c1c(Cl)cccc1C[NH2+]CCCn1ccnc1 ZINC000124646803 365656482 /nfs/dbraw/zinc/65/64/82/365656482.db2.gz QPQCIYZNBHRCQX-UHFFFAOYSA-N 2 0 265.744 2.422 20 10 CECDRP CC[C@H](c1ccccc1O)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367325510 373148011 /nfs/dbraw/zinc/14/80/11/373148011.db2.gz DBYNRHLSGRRGKJ-VNHYZAJKSA-N 2 0 260.381 2.337 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000180392683 261857770 /nfs/dbraw/zinc/85/77/70/261857770.db2.gz QLMHOYJUGCZKML-CQSZACIVSA-N 2 0 290.407 2.319 20 10 CECDRP COc1ccc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289626281 524732907 /nfs/dbraw/zinc/73/29/07/524732907.db2.gz LUWNLBRHKRATHL-YIONKMFJSA-N 2 0 290.407 2.458 20 10 CECDRP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000156094678 525950512 /nfs/dbraw/zinc/95/05/12/525950512.db2.gz ZRYRIZJAVFJRRV-HIFRSBDPSA-N 2 0 290.407 2.317 20 10 CECDRP Cc1cc(Cl)cc([C@H](C)[NH2+]CC2([NH3+])CC2)c1O ZINC000902408650 634623204 /nfs/dbraw/zinc/62/32/04/634623204.db2.gz ZZOXTDDBJPAWFC-VIFPVBQESA-N 2 0 254.761 2.496 20 10 CECDRP CC1(C)C[C@@H]([NH2+]CCc2ccc(N)cc2)C[C@@H]([NH3+])C1 ZINC000925696353 628530515 /nfs/dbraw/zinc/53/05/15/628530515.db2.gz ZYPRJPIPYPKOIP-CABCVRRESA-N 2 0 261.413 2.307 20 10 CECDRP COc1cc(C)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000893953331 629063340 /nfs/dbraw/zinc/06/33/40/629063340.db2.gz RXWIWZVNVWEHFD-CQSZACIVSA-N 2 0 292.423 2.483 20 10 CECDRP Cc1cc(Br)cc(C[NH2+]C[C@@H](C)C[NH3+])c1O ZINC000841048487 632351891 /nfs/dbraw/zinc/35/18/91/632351891.db2.gz JFYVOBJXHZJDCJ-QMMMGPOBSA-N 2 0 287.201 2.148 20 10 CECDRP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817939657 633788490 /nfs/dbraw/zinc/78/84/90/633788490.db2.gz HTAMBKMENKUJCX-MWLCHTKSSA-N 2 0 252.333 2.279 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000817977000 633820778 /nfs/dbraw/zinc/82/07/78/633820778.db2.gz YXYNFEIIYAKSID-GXTWGEPZSA-N 2 0 258.365 2.111 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960108 635370102 /nfs/dbraw/zinc/37/01/02/635370102.db2.gz XEGGFODASWEYBO-MRXNPFEDSA-N 2 0 278.371 2.497 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]C2CC[NH2+]CC2)c1O ZINC000841026575 639620308 /nfs/dbraw/zinc/62/03/08/639620308.db2.gz JEFKYZPFPFNCEL-UHFFFAOYSA-N 2 0 254.761 2.196 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841031470 639623425 /nfs/dbraw/zinc/62/34/25/639623425.db2.gz SITIYDIIPDASJD-DOMZBBRYSA-N 2 0 278.396 2.398 20 10 CECDRP C[NH2+]CCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841041119 639629713 /nfs/dbraw/zinc/62/97/13/639629713.db2.gz DRJVHRNAZCYFPR-UHFFFAOYSA-N 2 0 287.201 2.162 20 10 CECDRP C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCC[NH2+]C1 ZINC000841056944 639634675 /nfs/dbraw/zinc/63/46/75/639634675.db2.gz KJEYCUALPTZQDY-CQSZACIVSA-N 2 0 252.333 2.011 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000841062533 639638432 /nfs/dbraw/zinc/63/84/32/639638432.db2.gz MQVXTKATEMGYLI-UKRRQHHQSA-N 2 0 261.413 2.291 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841063993 639639449 /nfs/dbraw/zinc/63/94/49/639639449.db2.gz NRNTYMKQLCJRHJ-DSLFPGPSSA-N 2 0 273.424 2.353 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841064951 639641065 /nfs/dbraw/zinc/64/10/65/639641065.db2.gz XCDQMOGHWFNUKV-BXKDBHETSA-N 2 0 284.787 2.142 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1F ZINC000841072354 639643538 /nfs/dbraw/zinc/64/35/38/639643538.db2.gz IYQOCKWUPLEKEZ-OAHLLOKOSA-N 2 0 279.403 2.369 20 10 CECDRP Cc1cc(Br)cc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1O ZINC000841076891 639646892 /nfs/dbraw/zinc/64/68/92/639646892.db2.gz SDYZNUANYSXUMF-DTWKUNHWSA-N 2 0 287.201 2.288 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000841078201 639647447 /nfs/dbraw/zinc/64/74/47/639647447.db2.gz GEJJQBXXEDNOIK-IDOMTICXSA-N 2 0 285.435 2.498 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1F ZINC000841078694 639648168 /nfs/dbraw/zinc/64/81/68/639648168.db2.gz IQIRDSFQXOIZBG-HNNXBMFYSA-N 2 0 277.387 2.123 20 10 CECDRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1C ZINC000841080628 639649133 /nfs/dbraw/zinc/64/91/33/639649133.db2.gz UTFXKZPDMJRIOJ-HNNXBMFYSA-N 2 0 260.381 2.235 20 10 CECDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000841103869 639674334 /nfs/dbraw/zinc/67/43/34/639674334.db2.gz LMWPGFOOTLPAJI-DOTOQJQBSA-N 2 0 290.407 2.111 20 10 CECDRP Oc1cccc(Cl)c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311210128 639887094 /nfs/dbraw/zinc/88/70/94/639887094.db2.gz KZKNJEBSCHJXAB-GWCFXTLKSA-N 2 0 266.772 2.229 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843052482 640256085 /nfs/dbraw/zinc/25/60/85/640256085.db2.gz UPLZZGXAVSBEBT-BBRMVZONSA-N 2 0 261.413 2.230 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c(O)c1 ZINC000843053875 640256760 /nfs/dbraw/zinc/25/67/60/640256760.db2.gz VRRZMOWPNWPWHX-SWLSCSKDSA-N 2 0 278.396 2.350 20 10 CECDRP CCN(CC)c1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC000843054290 640257416 /nfs/dbraw/zinc/25/74/16/640257416.db2.gz JCOIJXRXKOQPKK-MRXNPFEDSA-N 2 0 261.413 2.456 20 10 CECDRP C[NH2+]CCC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000843057157 640260138 /nfs/dbraw/zinc/26/01/38/640260138.db2.gz FQFOHNZXUFGBJT-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP COc1cccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1O ZINC000846158505 641207223 /nfs/dbraw/zinc/20/72/23/641207223.db2.gz HRQQJCXBHYGPJP-LBPRGKRZSA-N 2 0 276.380 2.313 20 10 CECDRP Cc1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)ccc1N(C)C ZINC000923296695 643648501 /nfs/dbraw/zinc/64/85/01/643648501.db2.gz VUMWMGFAVJDGQM-INIZCTEOSA-N 2 0 261.413 2.278 20 10 CECDRP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877736936 650878835 /nfs/dbraw/zinc/87/88/35/650878835.db2.gz CAGOOHVXLXSCCA-ZFWWWQNUSA-N 2 0 260.381 2.227 20 10 CECDRP Cc1ccc([C@H](C)NCC23CC(C2)C[NH2+]3)c(O)c1C ZINC000854225991 644016599 /nfs/dbraw/zinc/01/65/99/644016599.db2.gz CGTVDYZDDBUMHO-FUJMWEONSA-N 2 0 260.381 2.412 20 10 CECDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)ccc1O ZINC000774380644 646840866 /nfs/dbraw/zinc/84/08/66/646840866.db2.gz JTLJDLRPUBXBMH-LLVKDONJSA-N 2 0 286.803 2.274 20 10 CECDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1O ZINC000783504299 647722440 /nfs/dbraw/zinc/72/24/40/647722440.db2.gz WYTKYOKTKQKTJY-OAHLLOKOSA-N 2 0 291.439 2.070 20 10 CECDRP CCOc1ccc(O)c(CN2CCCCC[C@@H]([NH3+])C2)c1 ZINC000873216071 649593191 /nfs/dbraw/zinc/59/31/91/649593191.db2.gz OAHNWXYQGZMAOG-CQSZACIVSA-N 2 0 278.396 2.494 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873273170 649620153 /nfs/dbraw/zinc/62/01/53/649620153.db2.gz YKSPGQFCVNHLPG-RYUDHWBXSA-N 2 0 278.396 2.440 20 10 CECDRP COc1ccc(O)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000132797232 652555792 /nfs/dbraw/zinc/55/57/92/652555792.db2.gz UANNWVXXHRNAOG-UHFFFAOYSA-N 2 0 278.396 2.174 20 10 CECDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000216020767 652964895 /nfs/dbraw/zinc/96/48/95/652964895.db2.gz MLSJHRBHVAZBOQ-ZJUUUORDSA-N 2 0 254.761 2.215 20 10 CECDRP [NH3+]CC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000706861322 802846667 /nfs/dbraw/zinc/84/66/67/802846667.db2.gz IQWFGFGAXBBTKK-UHFFFAOYSA-N 2 0 299.212 2.325 20 10 CECDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000383389521 803470756 /nfs/dbraw/zinc/47/07/56/803470756.db2.gz JQCUNBMBEBSYKU-ZDUSSCGKSA-N 2 0 254.761 2.216 20 10 CECDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC000715531380 808756613 /nfs/dbraw/zinc/75/66/13/808756613.db2.gz HMWLHPOJUAQGSB-UHFFFAOYSA-N 2 0 264.369 2.060 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC[NH+](C)CC1 ZINC000396448360 813568679 /nfs/dbraw/zinc/56/86/79/813568679.db2.gz RNKBOYYRLKERFQ-CYBMUJFWSA-N 2 0 274.408 2.441 20 10 CECDRP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206196958 815645590 /nfs/dbraw/zinc/64/55/90/815645590.db2.gz FKFISMVCZSAACV-KBPBESRZSA-N 2 0 266.360 2.216 20 10 CECDRP COc1cc(C[N@@H+]2CC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256096 815996608 /nfs/dbraw/zinc/99/66/08/815996608.db2.gz SWCMGOPVJFQUDM-LLVKDONJSA-N 2 0 264.369 2.057 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1F ZINC001139407916 816019935 /nfs/dbraw/zinc/01/99/35/816019935.db2.gz GEOZSBLFXHFHBU-PBHICJAKSA-N 2 0 291.414 2.228 20 10 CECDRP Cc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000179733787 368348166 /nfs/dbraw/zinc/34/81/66/368348166.db2.gz MGMQVVOQXHZAIE-CQSZACIVSA-N 2 0 262.397 2.474 20 10 CECDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1O ZINC000183548620 261979333 /nfs/dbraw/zinc/97/93/33/261979333.db2.gz PHUWVXPGMQQKDJ-ZIAGYGMSSA-N 2 0 280.412 2.400 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868661 628853814 /nfs/dbraw/zinc/85/38/14/628853814.db2.gz SMFTVGVRZVSDKK-DOTOQJQBSA-N 2 0 273.424 2.469 20 10 CECDRP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000904333754 635577708 /nfs/dbraw/zinc/57/77/08/635577708.db2.gz FMROHGRFYCBPMA-VNQPRFMTSA-N 2 0 290.407 2.111 20 10 CECDRP C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C[NH3+] ZINC000163442191 631586013 /nfs/dbraw/zinc/58/60/13/631586013.db2.gz KGHBBNJMCHHLCD-JQWIXIFHSA-N 2 0 268.788 2.462 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000817903503 633764190 /nfs/dbraw/zinc/76/41/90/633764190.db2.gz QBESFDDPOUIGSD-KGLIPLIRSA-N 2 0 291.439 2.379 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970773 633812789 /nfs/dbraw/zinc/81/27/89/633812789.db2.gz DWGUFMMGPJRVTO-WOPDTQHZSA-N 2 0 264.369 2.192 20 10 CECDRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1O ZINC000817971954 633815713 /nfs/dbraw/zinc/81/57/13/633815713.db2.gz RYTYBINHEHKXRS-KWBADKCTSA-N 2 0 252.333 2.180 20 10 CECDRP Cc1cccc(O)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000876576061 650340230 /nfs/dbraw/zinc/34/02/30/650340230.db2.gz DISCVAAEBXJJIS-UHFFFAOYSA-N 2 0 262.397 2.474 20 10 CECDRP CCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226619109 639556118 /nfs/dbraw/zinc/55/61/18/639556118.db2.gz YDMRMXSXMJKLTG-UHFFFAOYSA-N 2 0 266.360 2.495 20 10 CECDRP COc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1O ZINC000841030120 639622337 /nfs/dbraw/zinc/62/23/37/639622337.db2.gz KJXIMGXNJCDEJD-AAEUAGOBSA-N 2 0 264.369 2.008 20 10 CECDRP Cc1cc(O)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841037591 639628499 /nfs/dbraw/zinc/62/84/99/639628499.db2.gz WBMBNMQFEIZMPZ-LLVKDONJSA-N 2 0 268.788 2.443 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1O ZINC000841078142 639646821 /nfs/dbraw/zinc/64/68/21/639646821.db2.gz DSLZRRLCNGHWTK-CYBMUJFWSA-N 2 0 296.798 2.286 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000841079905 639648064 /nfs/dbraw/zinc/64/80/64/639648064.db2.gz OGELXAUJRVBKFO-LBPRGKRZSA-N 2 0 266.385 2.398 20 10 CECDRP COc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841080233 639648806 /nfs/dbraw/zinc/64/88/06/639648806.db2.gz QWSZEQGXLLSHFY-JOCQHMNTSA-N 2 0 278.396 2.256 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1O ZINC000841083245 639649598 /nfs/dbraw/zinc/64/95/98/639649598.db2.gz ABBGIZPKCOAIOV-JOYOIKCWSA-N 2 0 284.787 2.271 20 10 CECDRP Cc1cc(N(C)C)ccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841104925 639675759 /nfs/dbraw/zinc/67/57/59/639675759.db2.gz AWCMIWTVQPBMGK-KRWDZBQOSA-N 2 0 273.424 2.389 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000843126036 640293233 /nfs/dbraw/zinc/29/32/33/640293233.db2.gz FEZDFWKHXGCKMT-DZGCQCFKSA-N 2 0 260.381 2.193 20 10 CECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1O ZINC000843348736 640398434 /nfs/dbraw/zinc/39/84/34/640398434.db2.gz OUOXARFYWKNDDF-JTQLQIEISA-N 2 0 294.370 2.293 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148696 641637010 /nfs/dbraw/zinc/63/70/10/641637010.db2.gz HMQXFSNGQPIELB-INIZCTEOSA-N 2 0 261.413 2.456 20 10 CECDRP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923414070 643702117 /nfs/dbraw/zinc/70/21/17/643702117.db2.gz ZPBKKDYMNORIRS-DZGCQCFKSA-N 2 0 261.413 2.088 20 10 CECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735848 644422671 /nfs/dbraw/zinc/42/26/71/644422671.db2.gz DTEIRLOEXPBPNP-CQSZACIVSA-N 2 0 292.423 2.483 20 10 CECDRP COc1cccc(O)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858245733 645098083 /nfs/dbraw/zinc/09/80/83/645098083.db2.gz WQBSPGRZGIIURQ-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(N(C)C)cc1 ZINC000863544787 646752797 /nfs/dbraw/zinc/75/27/97/646752797.db2.gz AWDHOMSYGJRZEM-INIZCTEOSA-N 2 0 279.428 2.159 20 10 CECDRP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2c1c(F)ccc2O ZINC000863547158 646753807 /nfs/dbraw/zinc/75/38/07/646753807.db2.gz PRLHORZQYNOWBB-JQWIXIFHSA-N 2 0 282.359 2.035 20 10 CECDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000775658700 646976764 /nfs/dbraw/zinc/97/67/64/646976764.db2.gz RGKFLFHAXMSORY-UHFFFAOYSA-N 2 0 273.424 2.280 20 10 CECDRP COc1cc(C)cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000793770996 648796039 /nfs/dbraw/zinc/79/60/39/648796039.db2.gz XRUNLNGLSURWHX-QGZVFWFLSA-N 2 0 290.407 2.237 20 10 CECDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725576 649470210 /nfs/dbraw/zinc/47/02/10/649470210.db2.gz UOQUZFBPQWCJPC-WBVHZDCISA-N 2 0 286.419 2.407 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C=CCC3)cc2)CC1 ZINC000883238342 652410755 /nfs/dbraw/zinc/41/07/55/652410755.db2.gz ZCKXGFXUFFICEO-MRXNPFEDSA-N 2 0 285.435 2.494 20 10 CECDRP CC1([NH3+])CCN(Cc2cc(Br)ccc2O)CC1 ZINC000704598008 809739453 /nfs/dbraw/zinc/73/94/53/809739453.db2.gz VWCUVSVVKBYKDB-UHFFFAOYSA-N 2 0 299.212 2.468 20 10 CECDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC001118122139 814986457 /nfs/dbraw/zinc/98/64/57/814986457.db2.gz PUSYVMWWCQJUSB-MCIONIFRSA-N 2 0 290.407 2.217 20 10 CECDRP COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117786 807706000 /nfs/dbraw/zinc/70/60/00/807706000.db2.gz VMSQJCQPUKRJSR-CQSZACIVSA-N 2 0 277.412 2.074 20 10 CECDRP C[NH+](C)CCCNCc1c(O)cccc1Br ZINC000706863868 809858886 /nfs/dbraw/zinc/85/88/86/809858886.db2.gz UWBHMZBNOGSTPS-UHFFFAOYSA-N 2 0 287.201 2.196 20 10 CECDRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1O ZINC000397356400 813615184 /nfs/dbraw/zinc/61/51/84/813615184.db2.gz FQSAVTYNGXIMHO-OBJOEFQTSA-N 2 0 278.396 2.206 20 10 CECDRP CCC[N@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139252930 815996645 /nfs/dbraw/zinc/99/66/45/815996645.db2.gz FWANLHTYPIUPRP-UHFFFAOYSA-N 2 0 266.385 2.304 20 10 CECDRP Cc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(O)c1 ZINC001140958331 816426225 /nfs/dbraw/zinc/42/62/25/816426225.db2.gz YBFKVRLGNXDMDO-UHFFFAOYSA-N 2 0 260.381 2.228 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000049553251 260664016 /nfs/dbraw/zinc/66/40/16/260664016.db2.gz GGRPWUHBVLYWTI-NWDGAFQWSA-N 2 0 266.385 2.392 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])ccc21 ZINC000817901448 633762221 /nfs/dbraw/zinc/76/22/21/633762221.db2.gz VSRUNXDXCWLXGT-HUUCEWRRSA-N 2 0 259.397 2.038 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000817972401 633815187 /nfs/dbraw/zinc/81/51/87/633815187.db2.gz WVJRJMVXTJUGLR-DVOMOZLQSA-N 2 0 261.413 2.401 20 10 CECDRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1O ZINC000817974451 633818580 /nfs/dbraw/zinc/81/85/80/633818580.db2.gz MELCRDMYMBATBL-HNNXBMFYSA-N 2 0 292.423 2.449 20 10 CECDRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817978833 633821427 /nfs/dbraw/zinc/82/14/27/633821427.db2.gz FPKDJJPKDNVBRJ-ATZCPNFKSA-N 2 0 252.333 2.407 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000817987590 633828199 /nfs/dbraw/zinc/82/81/99/633828199.db2.gz UNMIOBBGBFSKIH-IGQOVBAYSA-N 2 0 290.407 2.440 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535799 639321919 /nfs/dbraw/zinc/32/19/19/639321919.db2.gz SKVOFSQEJFTLLW-OAHLLOKOSA-N 2 0 261.413 2.184 20 10 CECDRP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841029949 639614754 /nfs/dbraw/zinc/61/47/54/639614754.db2.gz PMTNUJUIDLZPOW-NSHDSACASA-N 2 0 287.201 2.228 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1O ZINC000841031810 639624300 /nfs/dbraw/zinc/62/43/00/639624300.db2.gz YLNBMJZIJBYSET-TZMCWYRMSA-N 2 0 278.396 2.398 20 10 CECDRP C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000841033273 639625134 /nfs/dbraw/zinc/62/51/34/639625134.db2.gz MIKXXSAMAMJVGQ-QWRGUYRKSA-N 2 0 252.333 2.009 20 10 CECDRP Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841034440 639626139 /nfs/dbraw/zinc/62/61/39/639626139.db2.gz BDRMUMCZDDEKBB-SNVBAGLBSA-N 2 0 299.212 2.244 20 10 CECDRP COc1ccc(N2CCC([NH2+]C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000841035015 639626802 /nfs/dbraw/zinc/62/68/02/639626802.db2.gz GNVMJELWZCYZEI-OAHLLOKOSA-N 2 0 289.423 2.006 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000841058629 639635766 /nfs/dbraw/zinc/63/57/66/639635766.db2.gz ZHUXSTCJTSKLOH-MRXNPFEDSA-N 2 0 278.396 2.270 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CC[NH2+]1 ZINC000841062821 639638407 /nfs/dbraw/zinc/63/84/07/639638407.db2.gz YBAQWEMDUFOMEY-BXKDBHETSA-N 2 0 299.212 2.385 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000841078204 639646879 /nfs/dbraw/zinc/64/68/79/639646879.db2.gz GEJJQBXXEDNOIK-REMYHPOOSA-N 2 0 285.435 2.498 20 10 CECDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841078282 639647280 /nfs/dbraw/zinc/64/72/80/639647280.db2.gz DYIQSJZDGCNMND-HNNXBMFYSA-N 2 0 291.439 2.130 20 10 CECDRP COc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1O ZINC000841078713 639648101 /nfs/dbraw/zinc/64/81/01/639648101.db2.gz JABORAKTIZTMPN-JOCQHMNTSA-N 2 0 278.396 2.256 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079329 639648194 /nfs/dbraw/zinc/64/81/94/639648194.db2.gz MJFVWNFRAYEDFW-MRXNPFEDSA-N 2 0 273.424 2.293 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000841084775 639650191 /nfs/dbraw/zinc/65/01/91/639650191.db2.gz PJKDHFSQXVKJCJ-MYIWKSEUSA-N 2 0 273.424 2.483 20 10 CECDRP CCN(CC)c1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000841100962 639662482 /nfs/dbraw/zinc/66/24/82/639662482.db2.gz QCSLNHKIUDTHJF-QGZVFWFLSA-N 2 0 291.439 2.082 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048310 640252772 /nfs/dbraw/zinc/25/27/72/640252772.db2.gz IPRHULVVUQSORL-JZIMQPMSSA-N 2 0 259.397 2.046 20 10 CECDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843052148 640255201 /nfs/dbraw/zinc/25/52/01/640255201.db2.gz HPQDHLSBQXRVHH-CQSZACIVSA-N 2 0 261.413 2.102 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843052488 640256106 /nfs/dbraw/zinc/25/61/06/640256106.db2.gz UPLZZGXAVSBEBT-XJKSGUPXSA-N 2 0 261.413 2.230 20 10 CECDRP CC[NH2+]CC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000843056131 640258665 /nfs/dbraw/zinc/25/86/65/640258665.db2.gz UHIAQRFFSBBXJY-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000843122382 640291050 /nfs/dbraw/zinc/29/10/50/640291050.db2.gz BVNBLXMASIMKOM-CQSZACIVSA-N 2 0 278.396 2.494 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125600 640292413 /nfs/dbraw/zinc/29/24/13/640292413.db2.gz YMDTWIUXFBFCSA-STQMWFEESA-N 2 0 278.371 2.353 20 10 CECDRP CCOc1ccc(C[NH2+]CCCCCC[NH3+])c(O)c1 ZINC000843126162 640293380 /nfs/dbraw/zinc/29/33/80/640293380.db2.gz BHRBSKPIEKETDO-UHFFFAOYSA-N 2 0 266.385 2.400 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000844924383 640867385 /nfs/dbraw/zinc/86/73/85/640867385.db2.gz KYXXIWKVFGOSDC-CQSZACIVSA-N 2 0 260.381 2.359 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846139642 641197176 /nfs/dbraw/zinc/19/71/76/641197176.db2.gz PXOLLJLNEJEHHM-CYBMUJFWSA-N 2 0 296.411 2.020 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c(O)c1 ZINC000846699701 641400829 /nfs/dbraw/zinc/40/08/29/641400829.db2.gz VVZUCDTVXGHNJA-YPMHNXCESA-N 2 0 264.369 2.103 20 10 CECDRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1N(C)C ZINC000923277718 643635195 /nfs/dbraw/zinc/63/51/95/643635195.db2.gz RGEDENDIVAQQNC-UHFFFAOYSA-N 2 0 261.413 2.232 20 10 CECDRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1N(C)C ZINC000923332991 643665552 /nfs/dbraw/zinc/66/55/52/643665552.db2.gz OBYDGNQNGOAEFZ-XHSDSOJGSA-N 2 0 273.424 2.230 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1N(C)C ZINC000923478410 643728867 /nfs/dbraw/zinc/72/88/67/643728867.db2.gz BRXSPIHQPRTXDX-AWEZNQCLSA-N 2 0 261.413 2.232 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000770352407 646381412 /nfs/dbraw/zinc/38/14/12/646381412.db2.gz NLDIEIVAAZUKMW-ZFWWWQNUSA-N 2 0 290.407 2.317 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000723698484 802925542 /nfs/dbraw/zinc/92/55/42/802925542.db2.gz HHQAPVZGYUSNLS-SNVBAGLBSA-N 2 0 284.787 2.225 20 10 CECDRP CCOc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1O ZINC000091844413 803388060 /nfs/dbraw/zinc/38/80/60/803388060.db2.gz VYWIOLPXRIFGHN-UHFFFAOYSA-N 2 0 278.396 2.493 20 10 CECDRP Cc1cc(Br)cc(C[NH2+]CCCC[NH3+])c1O ZINC001118018695 814976795 /nfs/dbraw/zinc/97/67/95/814976795.db2.gz ICAGPFNUZMOXSY-UHFFFAOYSA-N 2 0 287.201 2.292 20 10 CECDRP C[NH+](C)C1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000715551713 814978945 /nfs/dbraw/zinc/97/89/45/814978945.db2.gz IXUQHPLQZKEACP-UHFFFAOYSA-N 2 0 266.360 2.494 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118181448 814991138 /nfs/dbraw/zinc/99/11/38/814991138.db2.gz WQZDMNMKRBRXRA-UHFFFAOYSA-N 2 0 290.407 2.366 20 10 CECDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118242038 814997097 /nfs/dbraw/zinc/99/70/97/814997097.db2.gz VAJAKFOPJPQYOE-INIZCTEOSA-N 2 0 273.424 2.328 20 10 CECDRP COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(O)c1 ZINC000092659276 804654879 /nfs/dbraw/zinc/65/48/79/804654879.db2.gz BPWNIRFHHZMXEC-UHFFFAOYSA-N 2 0 287.363 2.434 20 10 CECDRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1C(F)(F)F ZINC000704353288 809730417 /nfs/dbraw/zinc/73/04/17/809730417.db2.gz YFWLSSSFQXNQQY-NWDGAFQWSA-N 2 0 288.313 2.351 20 10 CECDRP Nc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001120269613 810618709 /nfs/dbraw/zinc/61/87/09/810618709.db2.gz VVLJOJRQOXIRHT-INIZCTEOSA-N 2 0 273.424 2.480 20 10 CECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)c(C)c3)C[C@H]2C1 ZINC001139674118 816078256 /nfs/dbraw/zinc/07/82/56/816078256.db2.gz OHIXYTLCZAFAHH-IAGOWNOFSA-N 2 0 287.451 2.445 20 10 CECDRP Cc1c(O)ccc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC001140749349 816343978 /nfs/dbraw/zinc/34/39/78/816343978.db2.gz WHYAHPLLIIRVNT-UHFFFAOYSA-N 2 0 287.363 2.440 20 10 CECDRP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000156094553 366826954 /nfs/dbraw/zinc/82/69/54/366826954.db2.gz ZRYRIZJAVFJRRV-ZFWWWQNUSA-N 2 0 290.407 2.317 20 10 CECDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280367 368376309 /nfs/dbraw/zinc/37/63/09/368376309.db2.gz SGRJFCSVXHKMJN-WFASDCNBSA-N 2 0 278.371 2.447 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292183463 522181145 /nfs/dbraw/zinc/18/11/45/522181145.db2.gz QSURATSTPZPEII-QGZVFWFLSA-N 2 0 273.424 2.280 20 10 CECDRP COc1ccc(O)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000062077262 524753104 /nfs/dbraw/zinc/75/31/04/524753104.db2.gz FUNWYIXMRDVXGT-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC000300417084 622876967 /nfs/dbraw/zinc/87/69/67/622876967.db2.gz KHRRLUPFSIWSQB-ZLKJLUDKSA-N 2 0 264.344 2.091 20 10 CECDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000040623480 623748154 /nfs/dbraw/zinc/74/81/54/623748154.db2.gz UJNZWKABOGAJAU-HNNXBMFYSA-N 2 0 274.408 2.441 20 10 CECDRP COc1cc(C)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000893953330 629063618 /nfs/dbraw/zinc/06/36/18/629063618.db2.gz RXWIWZVNVWEHFD-AWEZNQCLSA-N 2 0 292.423 2.483 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CF)C3)cc2)CC1 ZINC000895571956 630252969 /nfs/dbraw/zinc/25/29/69/630252969.db2.gz CQGYZFIJYQFGRZ-MRXNPFEDSA-N 2 0 291.414 2.230 20 10 CECDRP CCOCc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OC ZINC000841027167 631805403 /nfs/dbraw/zinc/80/54/03/631805403.db2.gz YIFNNRRHDKTJBG-UHFFFAOYSA-N 2 0 278.396 2.073 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1O ZINC000841059128 632362779 /nfs/dbraw/zinc/36/27/79/632362779.db2.gz YCLVAFOXBVQZRE-GFCCVEGCSA-N 2 0 284.787 2.286 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817901703 633762463 /nfs/dbraw/zinc/76/24/63/633762463.db2.gz XBUSXGJDFGHRBE-STQMWFEESA-N 2 0 261.413 2.284 20 10 CECDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817901700 633762767 /nfs/dbraw/zinc/76/27/67/633762767.db2.gz XBUSXGJDFGHRBE-CHWSQXEVSA-N 2 0 261.413 2.284 20 10 CECDRP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000817942123 633789440 /nfs/dbraw/zinc/78/94/40/633789440.db2.gz MLTFTXUKFXQRFW-GVDBMIGSSA-N 2 0 290.455 2.002 20 10 CECDRP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817963439 633804641 /nfs/dbraw/zinc/80/46/41/633804641.db2.gz UXOKONIUMDJKLR-FXPVBKGRSA-N 2 0 252.333 2.264 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2c1c(F)ccc2O ZINC000817964677 633805748 /nfs/dbraw/zinc/80/57/48/633805748.db2.gz DBTBCYLXXNJQFR-JFUSQASVSA-N 2 0 264.344 2.407 20 10 CECDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2C[NH2+]C2)c1O ZINC000817965140 633806319 /nfs/dbraw/zinc/80/63/19/633806319.db2.gz MQSCZFUSEPDDRE-SECBINFHSA-N 2 0 254.761 2.224 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2c1c(F)ccc2O ZINC000817964676 633806873 /nfs/dbraw/zinc/80/68/73/633806873.db2.gz DBTBCYLXXNJQFR-GGZOMVNGSA-N 2 0 264.344 2.407 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000817966867 633810348 /nfs/dbraw/zinc/81/03/48/633810348.db2.gz XFKMNWZYEBMCJH-BLLLJJGKSA-N 2 0 278.396 2.441 20 10 CECDRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(F)ccc1O ZINC000817969635 633811853 /nfs/dbraw/zinc/81/18/53/633811853.db2.gz FPDCXBWGTHHLSK-WCQGTBRESA-N 2 0 252.333 2.452 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000817970046 633813776 /nfs/dbraw/zinc/81/37/76/633813776.db2.gz KFSPTVNMUVBIOO-SDDRHHMPSA-N 2 0 264.369 2.321 20 10 CECDRP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000817976698 633820411 /nfs/dbraw/zinc/82/04/11/633820411.db2.gz RQBNJOAEQIJQCW-IUODEOHRSA-N 2 0 260.381 2.493 20 10 CECDRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2ccccc2c1O ZINC000817977646 633822168 /nfs/dbraw/zinc/82/21/68/633822168.db2.gz MTBQIXYPIZABKG-XGVBPZLHSA-N 2 0 268.360 2.414 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000817987132 633828728 /nfs/dbraw/zinc/82/87/28/633828728.db2.gz WODYMFHQWIDXOG-GFCCVEGCSA-N 2 0 276.380 2.361 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000903960093 635369260 /nfs/dbraw/zinc/36/92/60/635369260.db2.gz WWFHJNQWXZLENW-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP COc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903974118 635392562 /nfs/dbraw/zinc/39/25/62/635392562.db2.gz MIJAMCDYEUTJFR-UKRRQHHQSA-N 2 0 262.397 2.339 20 10 CECDRP Cc1cccc(O)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000876596727 650353233 /nfs/dbraw/zinc/35/32/33/650353233.db2.gz JXXYFAGEBSVUOB-CQSZACIVSA-N 2 0 262.397 2.474 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000841028523 639621570 /nfs/dbraw/zinc/62/15/70/639621570.db2.gz AKLMIUAEZYZEEJ-XJKSGUPXSA-N 2 0 261.413 2.278 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000841030081 639622254 /nfs/dbraw/zinc/62/22/54/639622254.db2.gz JYRHMSYWDJFWBF-PBWFPOADSA-N 2 0 277.387 2.264 20 10 CECDRP Nc1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000841035205 639626751 /nfs/dbraw/zinc/62/67/51/639626751.db2.gz LOAMHJNGAHYCOD-UHFFFAOYSA-N 2 0 273.424 2.275 20 10 CECDRP CCOCc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC ZINC000841035248 639627892 /nfs/dbraw/zinc/62/78/92/639627892.db2.gz GXXUOWCLEPBFHE-AWEZNQCLSA-N 2 0 292.423 2.321 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058312 639635599 /nfs/dbraw/zinc/63/55/99/639635599.db2.gz PITOJKMTNLKPRD-OAHLLOKOSA-N 2 0 261.413 2.293 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841061226 639637003 /nfs/dbraw/zinc/63/70/03/639637003.db2.gz HCBSJSHTXICCGT-JOYOIKCWSA-N 2 0 284.787 2.284 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841062682 639638544 /nfs/dbraw/zinc/63/85/44/639638544.db2.gz CKEIOHSLYAAIEM-MFKMUULPSA-N 2 0 268.788 2.442 20 10 CECDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841064677 639640021 /nfs/dbraw/zinc/64/00/21/639640021.db2.gz SMQIQUIHCXLWHV-JOYOIKCWSA-N 2 0 299.212 2.242 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000841073480 639643623 /nfs/dbraw/zinc/64/36/23/639643623.db2.gz VCVLENMQHUAACL-HNNXBMFYSA-N 2 0 278.396 2.269 20 10 CECDRP Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000841101727 639659816 /nfs/dbraw/zinc/65/98/16/639659816.db2.gz ZTCAASKJNFIRJK-XHDPSFHLSA-N 2 0 262.397 2.426 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843047099 640250795 /nfs/dbraw/zinc/25/07/95/640250795.db2.gz NZJAGEWSGFJNDN-CQSZACIVSA-N 2 0 261.413 2.232 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000843047705 640252457 /nfs/dbraw/zinc/25/24/57/640252457.db2.gz WYMWSGRAMPNWSX-ARJAWSKDSA-N 2 0 273.424 2.437 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843051478 640255282 /nfs/dbraw/zinc/25/52/82/640255282.db2.gz JEGYIHUOXRWQDR-STQMWFEESA-N 2 0 278.396 2.350 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000843053624 640255872 /nfs/dbraw/zinc/25/58/72/640255872.db2.gz OXNQUOXCSBFAHT-WFASDCNBSA-N 2 0 278.396 2.350 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125017 640290319 /nfs/dbraw/zinc/29/03/19/640290319.db2.gz LGTUWIRICLHYBS-KGLIPLIRSA-N 2 0 290.407 2.222 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843123474 640291031 /nfs/dbraw/zinc/29/10/31/640291031.db2.gz JZSWGZIGMXROMT-QGZVFWFLSA-N 2 0 273.424 2.328 20 10 CECDRP [NH3+]CC1(CC[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000844902590 640859762 /nfs/dbraw/zinc/85/97/62/640859762.db2.gz SDKRSBQJXBIXAS-UHFFFAOYSA-N 2 0 299.212 2.373 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000846147746 641201544 /nfs/dbraw/zinc/20/15/44/641201544.db2.gz VIPDQCYIWSDLIL-OLZOCXBDSA-N 2 0 278.396 2.393 20 10 CECDRP C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000253202412 641620559 /nfs/dbraw/zinc/62/05/59/641620559.db2.gz YVVYBSYCBBGLND-UKRRQHHQSA-N 2 0 261.413 2.169 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171603 641641367 /nfs/dbraw/zinc/64/13/67/641641367.db2.gz PNSSTLQJRWWKIR-OLZOCXBDSA-N 2 0 278.396 2.350 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000848923792 642195631 /nfs/dbraw/zinc/19/56/31/642195631.db2.gz PVUWEYYYSNBWHR-GSJFWJNXSA-N 2 0 298.814 2.484 20 10 CECDRP CCOc1ccc(C[NH2+]CC2([NH3+])CCCC2)c(O)c1 ZINC000849350196 642340280 /nfs/dbraw/zinc/34/02/80/642340280.db2.gz UIMMAWBPWHZITA-UHFFFAOYSA-N 2 0 264.369 2.152 20 10 CECDRP C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000922140915 642902399 /nfs/dbraw/zinc/90/23/99/642902399.db2.gz UQHYZZDDHBDVEG-CYBMUJFWSA-N 2 0 262.397 2.299 20 10 CECDRP CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745669 643530504 /nfs/dbraw/zinc/53/05/04/643530504.db2.gz ZNTFGXNVLDPJES-HNNXBMFYSA-N 2 0 290.407 2.125 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877742882 650887380 /nfs/dbraw/zinc/88/73/80/650887380.db2.gz GWAAMDLFVFAYKH-UKRRQHHQSA-N 2 0 260.381 2.227 20 10 CECDRP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770395626 646386907 /nfs/dbraw/zinc/38/69/07/646386907.db2.gz TVYBNTLTEOGYHS-HOTGVXAUSA-N 2 0 273.424 2.184 20 10 CECDRP CCN(C)c1ccc([C@@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000863543008 646751935 /nfs/dbraw/zinc/75/19/35/646751935.db2.gz JYBVIFNQYIQWSK-CQSZACIVSA-N 2 0 279.428 2.029 20 10 CECDRP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775991133 647014526 /nfs/dbraw/zinc/01/45/26/647014526.db2.gz KPYXNGZKLTVJSE-HOCLYGCPSA-N 2 0 273.424 2.184 20 10 CECDRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1O ZINC000873293115 649629949 /nfs/dbraw/zinc/62/99/49/649629949.db2.gz XZHPTTMJNWCRHS-ZIAGYGMSSA-N 2 0 290.407 2.202 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C=CCC3)cc2)CC1 ZINC000883238341 652410685 /nfs/dbraw/zinc/41/06/85/652410685.db2.gz ZCKXGFXUFFICEO-INIZCTEOSA-N 2 0 285.435 2.494 20 10 CECDRP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000311233215 803669440 /nfs/dbraw/zinc/66/94/40/803669440.db2.gz RVTLJUAHQLTIQJ-LLVKDONJSA-N 2 0 252.333 2.092 20 10 CECDRP CCc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1O ZINC000691522264 812000048 /nfs/dbraw/zinc/00/00/48/812000048.db2.gz KQIINOPJPQNQIO-ZDUSSCGKSA-N 2 0 262.397 2.386 20 10 CECDRP COc1cc(C[NH+]2CC3CC(C3)C2)cc(C[NH+](C)C)c1O ZINC001139259589 815996578 /nfs/dbraw/zinc/99/65/78/815996578.db2.gz XJLZDPIRFXBRPT-UHFFFAOYSA-N 2 0 290.407 2.304 20 10 CECDRP COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290626961 344684278 /nfs/dbraw/zinc/68/42/78/344684278.db2.gz XOWGWACDBOMLPG-DOMZBBRYSA-N 2 0 278.396 2.173 20 10 CECDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1O ZINC000183408846 395256291 /nfs/dbraw/zinc/25/62/91/395256291.db2.gz DLYZAMKLQQDBMH-AWEZNQCLSA-N 2 0 291.439 2.069 20 10 CECDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000183506390 395257847 /nfs/dbraw/zinc/25/78/47/395257847.db2.gz ZCZQCRCPATTXBT-HUUCEWRRSA-N 2 0 292.423 2.280 20 10 CECDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252672933 334384895 /nfs/dbraw/zinc/38/48/95/334384895.db2.gz FFWANYUIQZTHRI-GJZGRUSLSA-N 2 0 260.381 2.417 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292802300 521149253 /nfs/dbraw/zinc/14/92/53/521149253.db2.gz NSKDGNRXRTZUKA-QGZVFWFLSA-N 2 0 290.407 2.319 20 10 CECDRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CC[N@@H+]1C ZINC000157680586 524927850 /nfs/dbraw/zinc/92/78/50/524927850.db2.gz ADBLIDFOSXVYOJ-XJKSGUPXSA-N 2 0 273.424 2.251 20 10 CECDRP CN(C)c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044515269 624460284 /nfs/dbraw/zinc/46/02/84/624460284.db2.gz TZJWVSXWCZRMDW-UHFFFAOYSA-N 2 0 261.413 2.184 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000094069978 628752560 /nfs/dbraw/zinc/75/25/60/628752560.db2.gz BTUDVMQOZQNKPB-UHFFFAOYSA-N 2 0 278.396 2.030 20 10 CECDRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1O ZINC000925881721 628980698 /nfs/dbraw/zinc/98/06/98/628980698.db2.gz FCTKLSICDHFYQA-FOGDFJRCSA-N 2 0 252.333 2.309 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841031473 631816291 /nfs/dbraw/zinc/81/62/91/631816291.db2.gz SITIYDIIPDASJD-WFASDCNBSA-N 2 0 278.396 2.398 20 10 CECDRP CCN(CC)c1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1F ZINC000841049755 632353458 /nfs/dbraw/zinc/35/34/58/632353458.db2.gz GXAYVWPXLUYWAJ-LBPRGKRZSA-N 2 0 267.392 2.499 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000841063158 632372930 /nfs/dbraw/zinc/37/29/30/632372930.db2.gz FDICYUWIMJMJQR-CZUORRHYSA-N 2 0 292.423 2.319 20 10 CECDRP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)ccc1O ZINC000817964919 633806940 /nfs/dbraw/zinc/80/69/40/633806940.db2.gz JGSLEFWURCMBGK-PRHODGIISA-N 2 0 254.761 2.434 20 10 CECDRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2ccccc2c1O ZINC000817977645 633821952 /nfs/dbraw/zinc/82/19/52/633821952.db2.gz MTBQIXYPIZABKG-MZORAGNBSA-N 2 0 268.360 2.414 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410564 635616936 /nfs/dbraw/zinc/61/69/36/635616936.db2.gz OQWIUXGPQADDIN-GJZGRUSLSA-N 2 0 275.440 2.478 20 10 CECDRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(O)c1 ZINC000876720593 650409509 /nfs/dbraw/zinc/40/95/09/650409509.db2.gz HMHBTRCITOTJQQ-UHFFFAOYSA-N 2 0 292.423 2.243 20 10 CECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cccc2O)C1 ZINC000876783279 650430574 /nfs/dbraw/zinc/43/05/74/650430574.db2.gz YOJXJJUDTJFKQM-AWEZNQCLSA-N 2 0 262.397 2.474 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(O)c1 ZINC000841028713 639621110 /nfs/dbraw/zinc/62/11/10/639621110.db2.gz CPBBMTKNDOJMBH-DOMZBBRYSA-N 2 0 278.396 2.398 20 10 CECDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841031322 639622875 /nfs/dbraw/zinc/62/28/75/639622875.db2.gz ROTYXBNHUPSCTB-GWCFXTLKSA-N 2 0 252.333 2.138 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1O ZINC000841031809 639624262 /nfs/dbraw/zinc/62/42/62/639624262.db2.gz YLNBMJZIJBYSET-OCCSQVGLSA-N 2 0 278.396 2.398 20 10 CECDRP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1O ZINC000841033084 639624744 /nfs/dbraw/zinc/62/47/44/639624744.db2.gz KGJIVTATVGTQFD-OLZOCXBDSA-N 2 0 278.396 2.269 20 10 CECDRP CCOCc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000841033011 639625227 /nfs/dbraw/zinc/62/52/27/639625227.db2.gz MBRYQJIMUVGVLO-HNNXBMFYSA-N 2 0 292.423 2.321 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000841057509 639635698 /nfs/dbraw/zinc/63/56/98/639635698.db2.gz IXSBHOSIJRPBQB-WMHVBEDNSA-N 2 0 273.424 2.498 20 10 CECDRP C[C@H](CCC[NH3+])[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841081710 639649225 /nfs/dbraw/zinc/64/92/25/639649225.db2.gz XGRJHUXRBKHSDO-BRLPQQTGSA-N 2 0 261.413 2.483 20 10 CECDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000841084524 639650460 /nfs/dbraw/zinc/65/04/60/639650460.db2.gz KFPXFGAKUOIWCZ-SKDRFNHKSA-N 2 0 299.212 2.372 20 10 CECDRP C[NH2+]C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843052087 640255324 /nfs/dbraw/zinc/25/53/24/640255324.db2.gz FZMTYAKJEBDMOK-AWFCHZOYSA-N 2 0 273.424 2.307 20 10 CECDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843057359 640260093 /nfs/dbraw/zinc/26/00/93/640260093.db2.gz JFMDCUYRDWUUIP-WIJLQKJISA-N 2 0 273.424 2.435 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC000843114477 640285041 /nfs/dbraw/zinc/28/50/41/640285041.db2.gz CPMZHYZIOHHNHH-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843125917 640292192 /nfs/dbraw/zinc/29/21/92/640292192.db2.gz CLJWJPXDSSWJEJ-WBVHZDCISA-N 2 0 273.424 2.245 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000844919907 640865750 /nfs/dbraw/zinc/86/57/50/640865750.db2.gz IGDZNPKSUATERP-LLVKDONJSA-N 2 0 264.369 2.180 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846139643 641197857 /nfs/dbraw/zinc/19/78/57/641197857.db2.gz PXOLLJLNEJEHHM-ZDUSSCGKSA-N 2 0 296.411 2.020 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148649 641635031 /nfs/dbraw/zinc/63/50/31/641635031.db2.gz QYNAFVNGDSFMBN-CYBMUJFWSA-N 2 0 264.369 2.104 20 10 CECDRP C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000854226650 644016245 /nfs/dbraw/zinc/01/62/45/644016245.db2.gz JOOFCZGMFLXSNX-FUJMWEONSA-N 2 0 259.397 2.155 20 10 CECDRP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000770395630 646387592 /nfs/dbraw/zinc/38/75/92/646387592.db2.gz TVYBNTLTEOGYHS-HZPDHXFCSA-N 2 0 273.424 2.184 20 10 CECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775660551 646977623 /nfs/dbraw/zinc/97/76/23/646977623.db2.gz GERRWVSCOFDNMK-HNNXBMFYSA-N 2 0 273.424 2.280 20 10 CECDRP CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122381493 648333044 /nfs/dbraw/zinc/33/30/44/648333044.db2.gz RCVWGVLGYSHSSQ-ZBFHGGJFSA-N 2 0 261.413 2.312 20 10 CECDRP CN(C)c1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228363 649599338 /nfs/dbraw/zinc/59/93/38/649599338.db2.gz DCLDXVDNYXWEOI-JKSUJKDBSA-N 2 0 259.397 2.127 20 10 CECDRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000020200359 649737256 /nfs/dbraw/zinc/73/72/56/649737256.db2.gz BIROWBNXWJOSGC-CQSZACIVSA-N 2 0 291.439 2.069 20 10 CECDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC001118960204 815058569 /nfs/dbraw/zinc/05/85/69/815058569.db2.gz WARHOBZGLOIZGV-OLZOCXBDSA-N 2 0 290.407 2.346 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1O)C2 ZINC001172101608 815281267 /nfs/dbraw/zinc/28/12/67/815281267.db2.gz GAIMXRSNNPSKAB-QKDCVEJESA-N 2 0 260.381 2.497 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC001118241672 810132866 /nfs/dbraw/zinc/13/28/66/810132866.db2.gz KBEZQXQIVTVVFD-PBHICJAKSA-N 2 0 273.424 2.456 20 10 CECDRP C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407721 816019104 /nfs/dbraw/zinc/01/91/04/816019104.db2.gz BPAMGEWQYGOVGX-ZBFHGGJFSA-N 2 0 291.414 2.371 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001140623813 816306160 /nfs/dbraw/zinc/30/61/60/816306160.db2.gz SMPADFRHBBRQFV-UHFFFAOYSA-N 2 0 260.381 2.228 20 10 CECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2O)C1 ZINC000093770482 394668757 /nfs/dbraw/zinc/66/87/57/394668757.db2.gz WLWWXOUENSWJEQ-CYBMUJFWSA-N 2 0 278.396 2.174 20 10 CECDRP COCCN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296224413 395312860 /nfs/dbraw/zinc/31/28/60/395312860.db2.gz ZYDBFXKJJGOWGL-HNNXBMFYSA-N 2 0 290.407 2.080 20 10 CECDRP COc1cccc(C[NH2+]CCC2CC[NH+](C)CC2)c1O ZINC000105454232 261359244 /nfs/dbraw/zinc/35/92/44/261359244.db2.gz KTHSYJJLJNPKKG-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000246005286 334227427 /nfs/dbraw/zinc/22/74/27/334227427.db2.gz SGRJFCSVXHKMJN-IUODEOHRSA-N 2 0 278.371 2.447 20 10 CECDRP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000738227715 574855062 /nfs/dbraw/zinc/85/50/62/574855062.db2.gz OMPATSILXQTHCA-CYBMUJFWSA-N 2 0 285.391 2.324 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c1 ZINC000925739563 628701013 /nfs/dbraw/zinc/70/10/13/628701013.db2.gz YWCJGIJOYSAJNA-SNVBAGLBSA-N 2 0 252.358 2.179 20 10 CECDRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(F)ccc1O ZINC000220327229 628825726 /nfs/dbraw/zinc/82/57/26/628825726.db2.gz DUQLOBMURDJFMV-CYBMUJFWSA-N 2 0 254.349 2.337 20 10 CECDRP [NH3+]C1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000258845437 629215616 /nfs/dbraw/zinc/21/56/16/629215616.db2.gz QTRZQALESMONJQ-UHFFFAOYSA-N 2 0 260.381 2.371 20 10 CECDRP COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000894254025 629263427 /nfs/dbraw/zinc/26/34/27/629263427.db2.gz LBKKIWMTYVEZME-ZDUSSCGKSA-N 2 0 278.396 2.141 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000841033734 631833362 /nfs/dbraw/zinc/83/33/62/631833362.db2.gz VEPZQUCIUWJKCM-QWHCGFSZSA-N 2 0 278.396 2.269 20 10 CECDRP Cc1cc(O)c(C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000809729936 632133101 /nfs/dbraw/zinc/13/31/01/632133101.db2.gz TUVYAAVECDOLDY-UHFFFAOYSA-N 2 0 250.386 2.393 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841064116 632378219 /nfs/dbraw/zinc/37/82/19/632378219.db2.gz YJFWMNFKZKOOIX-PJFORWJISA-N 2 0 273.424 2.496 20 10 CECDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)ccc1O ZINC000873252040 632415966 /nfs/dbraw/zinc/41/59/66/632415966.db2.gz OXCPEWQXFFJOAW-KKZNHRDASA-N 2 0 254.761 2.434 20 10 CECDRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000817891451 633752885 /nfs/dbraw/zinc/75/28/85/633752885.db2.gz KLWQLXVBCOAMGD-SOUVJXGZSA-N 2 0 291.439 2.300 20 10 CECDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817896568 633758504 /nfs/dbraw/zinc/75/85/04/633758504.db2.gz KQCUDEZQTWIPLR-CZUORRHYSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817941128 633789928 /nfs/dbraw/zinc/78/99/28/633789928.db2.gz MSFXMFCROWYLGG-JTQLQIEISA-N 2 0 252.333 2.182 20 10 CECDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Br)ccc1O ZINC000817962010 633804589 /nfs/dbraw/zinc/80/45/89/633804589.db2.gz GKGAEOKDJSLNAJ-DTWKUNHWSA-N 2 0 287.201 2.400 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000817969015 633812090 /nfs/dbraw/zinc/81/20/90/633812090.db2.gz PJNLQUAAIFCMHR-NWDGAFQWSA-N 2 0 264.369 2.194 20 10 CECDRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1O ZINC000817975742 633818272 /nfs/dbraw/zinc/81/82/72/633818272.db2.gz AMNCNNYFAWEEAW-QMTHXVAHSA-N 2 0 264.344 2.324 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000817976409 633818398 /nfs/dbraw/zinc/81/83/98/633818398.db2.gz LKGVQVYXFNZXPQ-ABAIWWIYSA-N 2 0 276.380 2.194 20 10 CECDRP COCC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC[NH2+]CC1 ZINC000817975292 633818552 /nfs/dbraw/zinc/81/85/52/633818552.db2.gz STNNAKCYPJFJDR-LBPRGKRZSA-N 2 0 296.386 2.198 20 10 CECDRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1O ZINC000817975740 633818979 /nfs/dbraw/zinc/81/89/79/633818979.db2.gz AMNCNNYFAWEEAW-HZMBPMFUSA-N 2 0 264.344 2.324 20 10 CECDRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817978836 633821892 /nfs/dbraw/zinc/82/18/92/633821892.db2.gz FPKDJJPKDNVBRJ-QXEWZRGKSA-N 2 0 252.333 2.407 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000817982508 633827065 /nfs/dbraw/zinc/82/70/65/633827065.db2.gz UFPCKBOHJSHZEM-QJPTWQEYSA-N 2 0 264.369 2.179 20 10 CECDRP CCOc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1O ZINC000841072133 634115780 /nfs/dbraw/zinc/11/57/80/634115780.db2.gz HUNMEFWUESJNJW-AWEZNQCLSA-N 2 0 278.396 2.413 20 10 CECDRP CC(C)([NH3+])CC[NH2+]Cc1cc(Br)ccc1O ZINC000903939231 635351900 /nfs/dbraw/zinc/35/19/00/635351900.db2.gz XBPJBGVYKPPJKX-UHFFFAOYSA-N 2 0 287.201 2.372 20 10 CECDRP Cc1cc(O)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903955472 635389484 /nfs/dbraw/zinc/38/94/84/635389484.db2.gz SLGPKRPDPBBNHB-CYBMUJFWSA-N 2 0 284.350 2.343 20 10 CECDRP CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000824620439 635464798 /nfs/dbraw/zinc/46/47/98/635464798.db2.gz OQAPAUMMFJBPJD-UHFFFAOYSA-N 2 0 273.424 2.471 20 10 CECDRP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C[NH3+] ZINC000904410452 635617199 /nfs/dbraw/zinc/61/71/99/635617199.db2.gz DPPPMWRYUCEPPE-WDEREUQCSA-N 2 0 268.788 2.462 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000841030950 639622633 /nfs/dbraw/zinc/62/26/33/639622633.db2.gz PYTWKAJEYPIBEK-DZGCQCFKSA-N 2 0 279.403 2.499 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032497 639623841 /nfs/dbraw/zinc/62/38/41/639623841.db2.gz FNTXTUJKJJGTFE-AWEZNQCLSA-N 2 0 261.413 2.150 20 10 CECDRP Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000841033158 639624944 /nfs/dbraw/zinc/62/49/44/639624944.db2.gz NSHGDJJKIVOZHS-LLVKDONJSA-N 2 0 268.788 2.443 20 10 CECDRP CCC[NH+]1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841034220 639626938 /nfs/dbraw/zinc/62/69/38/639626938.db2.gz GRBAMZNYNYHLTG-UHFFFAOYSA-N 2 0 261.413 2.275 20 10 CECDRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841055258 639634488 /nfs/dbraw/zinc/63/44/88/639634488.db2.gz MQRKPOJNAATIOP-RYUDHWBXSA-N 2 0 254.761 2.405 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1O ZINC000841057931 639635378 /nfs/dbraw/zinc/63/53/78/639635378.db2.gz SLQBVEOWGAFDSC-INIZCTEOSA-N 2 0 278.396 2.270 20 10 CECDRP Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057346 639635478 /nfs/dbraw/zinc/63/54/78/639635478.db2.gz IZPXJSABJMYSBG-LBPRGKRZSA-N 2 0 299.212 2.386 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1O ZINC000841084551 639650656 /nfs/dbraw/zinc/65/06/56/639650656.db2.gz KQASXBZLPFYHSK-WCQYABFASA-N 2 0 264.369 2.008 20 10 CECDRP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1O ZINC000841089613 639653127 /nfs/dbraw/zinc/65/31/27/639653127.db2.gz OUNBQLFSOHXYSQ-AWEZNQCLSA-N 2 0 260.381 2.465 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000843046665 640250720 /nfs/dbraw/zinc/25/07/20/640250720.db2.gz YNLFHCBGSVTFNF-UHFFFAOYSA-N 2 0 261.413 2.245 20 10 CECDRP Cc1cc(Br)cc(C[N@H+](C)CCC[NH3+])c1O ZINC000843050426 640253467 /nfs/dbraw/zinc/25/34/67/640253467.db2.gz HGYPTQIIYFWKMU-UHFFFAOYSA-N 2 0 287.201 2.244 20 10 CECDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843052147 640254264 /nfs/dbraw/zinc/25/42/64/640254264.db2.gz HPQDHLSBQXRVHH-AWEZNQCLSA-N 2 0 261.413 2.102 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843057381 640260318 /nfs/dbraw/zinc/26/03/18/640260318.db2.gz JSRZCHFPANMWJY-UKRRQHHQSA-N 2 0 261.413 2.230 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843124845 640290427 /nfs/dbraw/zinc/29/04/27/640290427.db2.gz JCJJIAVCWCKWFX-UONOGXRCSA-N 2 0 290.407 2.222 20 10 CECDRP Cc1cc(Br)cc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000843125263 640291650 /nfs/dbraw/zinc/29/16/50/640291650.db2.gz QEBBCNFBGFKJGO-UHFFFAOYSA-N 2 0 299.212 2.385 20 10 CECDRP Oc1ccc(F)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843126770 640293275 /nfs/dbraw/zinc/29/32/75/640293275.db2.gz MZJBFRNTKLUUSX-CYBMUJFWSA-N 2 0 278.371 2.353 20 10 CECDRP COc1cc(O)c(C[NH2+]CCCCCC[NH3+])cc1OC ZINC000843128566 640295338 /nfs/dbraw/zinc/29/53/38/640295338.db2.gz XGDHQNJCDINZPY-UHFFFAOYSA-N 2 0 282.384 2.018 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250091084 640454943 /nfs/dbraw/zinc/45/49/43/640454943.db2.gz VMKYLIBMLAUUEM-DZGCQCFKSA-N 2 0 260.381 2.356 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171604 641641324 /nfs/dbraw/zinc/64/13/24/641641324.db2.gz PNSSTLQJRWWKIR-CHWSQXEVSA-N 2 0 278.396 2.350 20 10 CECDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183418357 641733179 /nfs/dbraw/zinc/73/31/79/641733179.db2.gz AWOMZALDZQTHDF-CABCVRRESA-N 2 0 291.439 2.069 20 10 CECDRP Cc1cccc(O)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000877477674 650739886 /nfs/dbraw/zinc/73/98/86/650739886.db2.gz HHYWXFZOFWDFGU-OAHLLOKOSA-N 2 0 292.423 2.291 20 10 CECDRP COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000849350814 642341121 /nfs/dbraw/zinc/34/11/21/642341121.db2.gz XFJAOHJUNIWTJI-LSDHHAIUSA-N 2 0 289.423 2.006 20 10 CECDRP Cc1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)ccc1N(C)C ZINC000923296696 643648381 /nfs/dbraw/zinc/64/83/81/643648381.db2.gz VUMWMGFAVJDGQM-MRXNPFEDSA-N 2 0 261.413 2.278 20 10 CECDRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1N(C)C ZINC000923381596 643688237 /nfs/dbraw/zinc/68/82/37/643688237.db2.gz JTMMLQGZZQZCRK-HUUCEWRRSA-N 2 0 261.413 2.421 20 10 CECDRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000853247095 643721086 /nfs/dbraw/zinc/72/10/86/643721086.db2.gz CAFCVUGTJNVJAV-CQSZACIVSA-N 2 0 267.392 2.355 20 10 CECDRP COc1cc(C)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1O ZINC000754731459 644422666 /nfs/dbraw/zinc/42/26/66/644422666.db2.gz DKECDLZWSKZFSL-UHFFFAOYSA-N 2 0 292.423 2.483 20 10 CECDRP COc1cc(C)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000754742255 644423647 /nfs/dbraw/zinc/42/36/47/644423647.db2.gz UVMNKSSOFXGHNK-ZDUSSCGKSA-N 2 0 278.396 2.093 20 10 CECDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000126802008 650957134 /nfs/dbraw/zinc/95/71/34/650957134.db2.gz SNLQXCVZMLVHCW-UWVGGRQHSA-N 2 0 254.761 2.215 20 10 CECDRP CN(C)c1cc(F)c(C[NH2+]CC2CC[NH+](C)CC2)cc1F ZINC000858127902 645068751 /nfs/dbraw/zinc/06/87/51/645068751.db2.gz UDQWJSLVABDXNG-UHFFFAOYSA-N 2 0 297.393 2.462 20 10 CECDRP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(C)cc1O ZINC000863546614 646753861 /nfs/dbraw/zinc/75/38/61/646753861.db2.gz LRTTVDXMUAXPMW-AWEZNQCLSA-N 2 0 266.385 2.107 20 10 CECDRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775991134 647014621 /nfs/dbraw/zinc/01/46/21/647014621.db2.gz KPYXNGZKLTVJSE-ZBFHGGJFSA-N 2 0 273.424 2.184 20 10 CECDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000779025976 647283304 /nfs/dbraw/zinc/28/33/04/647283304.db2.gz RTTNGQCBZIXMPC-INIZCTEOSA-N 2 0 292.423 2.325 20 10 CECDRP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)cc1C ZINC000793763651 648794543 /nfs/dbraw/zinc/79/45/43/648794543.db2.gz DYWDUURGCHGKEM-QGZVFWFLSA-N 2 0 290.407 2.237 20 10 CECDRP CCOc1cccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c1O ZINC000873221208 649595520 /nfs/dbraw/zinc/59/55/20/649595520.db2.gz GWKSBVGWCWKMTP-GFCCVEGCSA-N 2 0 278.396 2.269 20 10 CECDRP CN(C)c1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228358 649599037 /nfs/dbraw/zinc/59/90/37/649599037.db2.gz DCLDXVDNYXWEOI-CVEARBPZSA-N 2 0 259.397 2.127 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2c1c(F)ccc2O ZINC000873255566 649611591 /nfs/dbraw/zinc/61/15/91/649611591.db2.gz HRGDXMLYXKFHRT-DNRKLUKYSA-N 2 0 264.344 2.407 20 10 CECDRP C[C@@]1([NH3+])CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001204801948 806152688 /nfs/dbraw/zinc/15/26/88/806152688.db2.gz XONFYXNGCFYPGH-GFCCVEGCSA-N 2 0 290.285 2.214 20 10 CECDRP C[NH+]1CCC(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001207399909 803498128 /nfs/dbraw/zinc/49/81/28/803498128.db2.gz YWLSJBLZXRYSKK-UHFFFAOYSA-N 2 0 290.407 2.188 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000699664737 807791718 /nfs/dbraw/zinc/79/17/18/807791718.db2.gz JUGKGWGWIPXFFV-UKRRQHHQSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC[NH+](C)CC1 ZINC000396448361 813568665 /nfs/dbraw/zinc/56/86/65/813568665.db2.gz RNKBOYYRLKERFQ-ZDUSSCGKSA-N 2 0 274.408 2.441 20 10 CECDRP Cc1c(O)ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1O ZINC001140745225 816340647 /nfs/dbraw/zinc/34/06/47/816340647.db2.gz APKHCRAAAKACOX-UHFFFAOYSA-N 2 0 278.396 2.180 20 10 CECDRP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3O)C[C@H]2C1 ZINC001140953576 816423917 /nfs/dbraw/zinc/42/39/17/816423917.db2.gz CFGLWNWTLZQMLL-HZPDHXFCSA-N 2 0 274.408 2.474 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037644660 361918526 /nfs/dbraw/zinc/91/85/26/361918526.db2.gz PQEWTYIRLBBURD-AWEZNQCLSA-N 2 0 260.381 2.053 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000179637655 368347071 /nfs/dbraw/zinc/34/70/71/368347071.db2.gz BPWKLDSTVDRWNR-CYBMUJFWSA-N 2 0 278.396 2.174 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277442602 525937760 /nfs/dbraw/zinc/93/77/60/525937760.db2.gz KECHOUQDZGDQPD-CQSZACIVSA-N 2 0 278.396 2.317 20 10 CECDRP COc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000894188227 629198829 /nfs/dbraw/zinc/19/88/29/629198829.db2.gz SHZFOFNGEQCMEV-LSDHHAIUSA-N 2 0 290.407 2.426 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841028658 631810560 /nfs/dbraw/zinc/81/05/60/631810560.db2.gz BXEDWBOFQGUJGG-FZMZJTMJSA-N 2 0 264.369 2.008 20 10 CECDRP Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033221 631821807 /nfs/dbraw/zinc/82/18/07/631821807.db2.gz PZSYTOZXTLZNMK-JTQLQIEISA-N 2 0 299.212 2.244 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000841058495 632360982 /nfs/dbraw/zinc/36/09/82/632360982.db2.gz SANLXSAWVBVTAH-GJZGRUSLSA-N 2 0 261.413 2.421 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000841061991 632364589 /nfs/dbraw/zinc/36/45/89/632364589.db2.gz PPIUKNVBCSJFCQ-DGCLKSJQSA-N 2 0 264.369 2.021 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1F ZINC000841064329 632379210 /nfs/dbraw/zinc/37/92/10/632379210.db2.gz FCWUFYLVWPKHAN-UHFFFAOYSA-N 2 0 265.376 2.123 20 10 CECDRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817938930 633788807 /nfs/dbraw/zinc/78/88/07/633788807.db2.gz VVLJCDQSHUANAE-GFCCVEGCSA-N 2 0 297.830 2.176 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000817947116 633793697 /nfs/dbraw/zinc/79/36/97/633793697.db2.gz KOEKPIWTHAUCCX-RWMBFGLXSA-N 2 0 278.396 2.440 20 10 CECDRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817953864 633797395 /nfs/dbraw/zinc/79/73/95/633797395.db2.gz VKVUAVCSXLWIKM-WCABBAIRSA-N 2 0 252.333 2.407 20 10 CECDRP C[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC[NH2+]C1 ZINC000817966444 633809106 /nfs/dbraw/zinc/80/91/06/633809106.db2.gz NZWKBZQDYSCCAP-CZUORRHYSA-N 2 0 260.381 2.359 20 10 CECDRP CC/C=C\C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824701979 635480720 /nfs/dbraw/zinc/48/07/20/635480720.db2.gz FMVXXJNGHSOYJQ-PLNGDYQASA-N 2 0 273.424 2.494 20 10 CECDRP c1cc2c(cc1C[NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000904355025 635586498 /nfs/dbraw/zinc/58/64/98/635586498.db2.gz KAIFPXXYYNCZCJ-HNNXBMFYSA-N 2 0 260.381 2.243 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000904411581 635619481 /nfs/dbraw/zinc/61/94/81/635619481.db2.gz NTAQGLFGESHSMC-KGLIPLIRSA-N 2 0 262.397 2.426 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC3(C)C)cc2)CC1 ZINC000840956134 639600277 /nfs/dbraw/zinc/60/02/77/639600277.db2.gz DPHVXHHKZRUVLU-INIZCTEOSA-N 2 0 273.424 2.327 20 10 CECDRP COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000841028526 639621351 /nfs/dbraw/zinc/62/13/51/639621351.db2.gz ASFFIYTUAGYKFB-WCQYABFASA-N 2 0 294.395 2.017 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841064952 639641371 /nfs/dbraw/zinc/64/13/71/639641371.db2.gz XCDQMOGHWFNUKV-CABZTGNLSA-N 2 0 284.787 2.142 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1O ZINC000841079797 639648273 /nfs/dbraw/zinc/64/82/73/639648273.db2.gz OLQTVMNAFSPRNV-AWEZNQCLSA-N 2 0 276.380 2.023 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000841083263 639649693 /nfs/dbraw/zinc/64/96/93/639649693.db2.gz ADYBKTAOQAIBAD-DGCLKSJQSA-N 2 0 265.376 2.109 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(O)c1 ZINC000841084466 639650481 /nfs/dbraw/zinc/65/04/81/639650481.db2.gz JXFYBLWTAHDUGH-WCQYABFASA-N 2 0 264.369 2.008 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841090461 639653078 /nfs/dbraw/zinc/65/30/78/639653078.db2.gz YLWILUIWCXKAQJ-CYBMUJFWSA-N 2 0 276.380 2.165 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000843047732 640252795 /nfs/dbraw/zinc/25/27/95/640252795.db2.gz YHSAQUGRQMTDBK-UHFFFAOYSA-N 2 0 261.413 2.232 20 10 CECDRP CCOc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(O)c1 ZINC000843051699 640254747 /nfs/dbraw/zinc/25/47/47/640254747.db2.gz CERAOXZKUQPFJK-GFCCVEGCSA-N 2 0 278.396 2.350 20 10 CECDRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(O)c1 ZINC000877084836 650565540 /nfs/dbraw/zinc/56/55/40/650565540.db2.gz JQEHCDHQQPORSC-UHFFFAOYSA-N 2 0 292.423 2.026 20 10 CECDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC000844901449 640860483 /nfs/dbraw/zinc/86/04/83/640860483.db2.gz FMAFIBLZPQYUFG-INMHGKMJSA-N 2 0 290.407 2.111 20 10 CECDRP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC000877546023 650779850 /nfs/dbraw/zinc/77/98/50/650779850.db2.gz NWUGCUSUEFTRPR-MRXNPFEDSA-N 2 0 260.381 2.228 20 10 CECDRP CCOc1cccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1O ZINC000110643912 643452769 /nfs/dbraw/zinc/45/27/69/643452769.db2.gz FYTDQKFMJGGSRS-LBPRGKRZSA-N 2 0 278.396 2.350 20 10 CECDRP Cc1cc(CN2CCC3(CC[NH2+]3)CC2)ccc1N(C)C ZINC000923381444 643688053 /nfs/dbraw/zinc/68/80/53/643688053.db2.gz NDOPEFKTTXIGAL-UHFFFAOYSA-N 2 0 273.424 2.389 20 10 CECDRP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1N(C)C ZINC000923423364 643704222 /nfs/dbraw/zinc/70/42/22/643704222.db2.gz BSBQSBYBNSSPKE-DOTOQJQBSA-N 2 0 273.424 2.102 20 10 CECDRP CCc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877739426 650881283 /nfs/dbraw/zinc/88/12/83/650881283.db2.gz FUCZOVXXBGYEJP-GDBMZVCRSA-N 2 0 274.408 2.481 20 10 CECDRP Cc1ccc([C@@H](C)NCC23CC(C2)C[NH2+]3)c(O)c1C ZINC000854225993 644016354 /nfs/dbraw/zinc/01/63/54/644016354.db2.gz CGTVDYZDDBUMHO-VEAWUBTESA-N 2 0 260.381 2.412 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000854230785 644018665 /nfs/dbraw/zinc/01/86/65/644018665.db2.gz YHGHXAQLZVEIKV-SMDDNHRTSA-N 2 0 266.385 2.425 20 10 CECDRP CC(C)C[C@@H]([NH3+])CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058230 644783737 /nfs/dbraw/zinc/78/37/37/644783737.db2.gz OZLPGICHVXLPSL-OAHLLOKOSA-N 2 0 261.413 2.271 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C)CC3)cc2)CC1 ZINC000771845152 646558556 /nfs/dbraw/zinc/55/85/56/646558556.db2.gz ZGYCNTYIKUXIFP-UHFFFAOYSA-N 2 0 273.424 2.328 20 10 CECDRP Cc1cc(C)c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c(O)c1 ZINC000863541408 646751357 /nfs/dbraw/zinc/75/13/57/646751357.db2.gz LRPFLRJGYNLXDL-ZDUSSCGKSA-N 2 0 278.396 2.168 20 10 CECDRP Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCCC[NH3+])c1O ZINC000863544988 646752721 /nfs/dbraw/zinc/75/27/21/646752721.db2.gz GIMOHTHKFCGRLN-NSHDSACASA-N 2 0 286.803 2.370 20 10 CECDRP CN(C)c1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228362 649599856 /nfs/dbraw/zinc/59/98/56/649599856.db2.gz DCLDXVDNYXWEOI-HZPDHXFCSA-N 2 0 259.397 2.127 20 10 CECDRP [NH3+]CC[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000723674928 802922895 /nfs/dbraw/zinc/92/28/95/802922895.db2.gz LGCKQZPHCNRCAR-JTQLQIEISA-N 2 0 254.761 2.216 20 10 CECDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000723674923 802923142 /nfs/dbraw/zinc/92/31/42/802923142.db2.gz KPXSAFVHPVPJRI-SNVBAGLBSA-N 2 0 299.212 2.325 20 10 CECDRP COc1ccc(O)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000715490398 814968770 /nfs/dbraw/zinc/96/87/70/814968770.db2.gz JPXWJKGAOCTHGK-UHFFFAOYSA-N 2 0 278.396 2.363 20 10 CECDRP COc1cc(Cl)cc(CN2CCC[C@H]([NH3+])CC2)c1O ZINC001205116736 807702293 /nfs/dbraw/zinc/70/22/93/807702293.db2.gz HKRVYGRLIJHGIK-LBPRGKRZSA-N 2 0 284.787 2.367 20 10 CECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000923503700 810105815 /nfs/dbraw/zinc/10/58/15/810105815.db2.gz LDNFUURRVMDTAZ-PWSUYJOCSA-N 2 0 294.370 2.151 20 10 CECDRP CCC1([NH3+])CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000714752473 814914337 /nfs/dbraw/zinc/91/43/37/814914337.db2.gz TYZQHNZXNKCJBL-UHFFFAOYSA-N 2 0 264.369 2.104 20 10 CECDRP CCC1([NH3+])CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000714753591 814914356 /nfs/dbraw/zinc/91/43/56/814914356.db2.gz KPKCXCIXXGJTQA-UHFFFAOYSA-N 2 0 252.333 2.235 20 10 CECDRP COc1cc(C[NH+]2CCC(F)CC2)cc(C[NH+](C)C)c1O ZINC001139253538 815996672 /nfs/dbraw/zinc/99/66/72/815996672.db2.gz XQIPOTWBLYHREQ-UHFFFAOYSA-N 2 0 296.386 2.396 20 10 CECDRP Oc1ccc(F)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180188268 368370922 /nfs/dbraw/zinc/37/09/22/368370922.db2.gz VELZQZICLDWULU-ZDUSSCGKSA-N 2 0 278.371 2.449 20 10 CECDRP Cc1nccn1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000273468005 373759494 /nfs/dbraw/zinc/75/94/94/373759494.db2.gz FEZIRDBPSLDXGN-JTQLQIEISA-N 2 0 263.316 2.387 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1N(C)C ZINC000293212267 377472640 /nfs/dbraw/zinc/47/26/40/377472640.db2.gz UZPIAAGBUIIVCM-MRXNPFEDSA-N 2 0 275.440 2.445 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000217915208 394456070 /nfs/dbraw/zinc/45/60/70/394456070.db2.gz CGXRPGNODYLISG-XJKSGUPXSA-N 2 0 290.407 2.317 20 10 CECDRP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000124702727 394840421 /nfs/dbraw/zinc/84/04/21/394840421.db2.gz QKAZUCIAMNGAQA-ZDUSSCGKSA-N 2 0 260.381 2.275 20 10 CECDRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280251889 286904090 /nfs/dbraw/zinc/90/40/90/286904090.db2.gz WRZAARAPKMJSPD-OAHLLOKOSA-N 2 0 292.423 2.198 20 10 CECDRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362478 260094564 /nfs/dbraw/zinc/09/45/64/260094564.db2.gz AMCHPLZKYAXGAK-UHFFFAOYSA-N 2 0 262.397 2.299 20 10 CECDRP Oc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000226584539 263199294 /nfs/dbraw/zinc/19/92/94/263199294.db2.gz XKPKCSLBUWOYIG-LLVKDONJSA-N 2 0 264.344 2.105 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000037644008 521710501 /nfs/dbraw/zinc/71/05/01/521710501.db2.gz XEGHISNCAZAXPC-STQMWFEESA-N 2 0 278.396 2.393 20 10 CECDRP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1C ZINC000049554269 524088425 /nfs/dbraw/zinc/08/84/25/524088425.db2.gz OYZZFWQJDDIPJW-CYBMUJFWSA-N 2 0 250.386 2.433 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CC[N@@H+]1C ZINC000157680721 525266732 /nfs/dbraw/zinc/26/67/32/525266732.db2.gz ADBLIDFOSXVYOJ-CJNGLKHVSA-N 2 0 273.424 2.251 20 10 CECDRP Cc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277826151 525348196 /nfs/dbraw/zinc/34/81/96/525348196.db2.gz LIRYZKZZQSDRAF-HNNXBMFYSA-N 2 0 292.423 2.291 20 10 CECDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000902393587 634633570 /nfs/dbraw/zinc/63/35/70/634633570.db2.gz QQTLAFQBZLSVGL-OAHLLOKOSA-N 2 0 261.413 2.179 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1O ZINC000841037407 631998101 /nfs/dbraw/zinc/99/81/01/631998101.db2.gz SRDHUCKAUSYNGQ-JTQLQIEISA-N 2 0 284.787 2.143 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000841054383 632357402 /nfs/dbraw/zinc/35/74/02/632357402.db2.gz DLDLUIMZFFGNBG-QWHCGFSZSA-N 2 0 264.369 2.150 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841058497 632361722 /nfs/dbraw/zinc/36/17/22/632361722.db2.gz SANLXSAWVBVTAH-HUUCEWRRSA-N 2 0 261.413 2.421 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000841061992 632364836 /nfs/dbraw/zinc/36/48/36/632364836.db2.gz PPIUKNVBCSJFCQ-WCQYABFASA-N 2 0 264.369 2.021 20 10 CECDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000817958467 633800464 /nfs/dbraw/zinc/80/04/64/633800464.db2.gz WHMWMAGYRYSTJE-KBXCAEBGSA-N 2 0 283.419 2.359 20 10 CECDRP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817963440 633804271 /nfs/dbraw/zinc/80/42/71/633804271.db2.gz UXOKONIUMDJKLR-KKZNHRDASA-N 2 0 252.333 2.264 20 10 CECDRP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)ccc1O ZINC000817964921 633806890 /nfs/dbraw/zinc/80/68/90/633806890.db2.gz JGSLEFWURCMBGK-UFBFGSQYSA-N 2 0 254.761 2.434 20 10 CECDRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(F)ccc1O ZINC000818615907 633960854 /nfs/dbraw/zinc/96/08/54/633960854.db2.gz RMWRQIROHLFZBK-OASPWFOLSA-N 2 0 252.333 2.452 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818614639 633961025 /nfs/dbraw/zinc/96/10/25/633961025.db2.gz DINQFTMPYBKQLF-LERXQTSPSA-N 2 0 264.369 2.321 20 10 CECDRP CCOc1cccc(C[NH2+]CCC(C)(C)[NH3+])c1O ZINC000903938884 635357409 /nfs/dbraw/zinc/35/74/09/635357409.db2.gz OMVBBAQPJOLRGX-UHFFFAOYSA-N 2 0 252.358 2.008 20 10 CECDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834620968 637891960 /nfs/dbraw/zinc/89/19/60/637891960.db2.gz ZHVSPVVNXNTYNG-HUUCEWRRSA-N 2 0 292.423 2.326 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000044535077 639321669 /nfs/dbraw/zinc/32/16/69/639321669.db2.gz XYAMJRBZWKBCHG-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058311 639635386 /nfs/dbraw/zinc/63/53/86/639635386.db2.gz PITOJKMTNLKPRD-HNNXBMFYSA-N 2 0 261.413 2.293 20 10 CECDRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1C ZINC000841073668 639643723 /nfs/dbraw/zinc/64/37/23/639643723.db2.gz VVRYXEOPIYJGIH-OAHLLOKOSA-N 2 0 262.397 2.481 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841090462 639653382 /nfs/dbraw/zinc/65/33/82/639653382.db2.gz YLWILUIWCXKAQJ-ZDUSSCGKSA-N 2 0 276.380 2.165 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000843060221 640262613 /nfs/dbraw/zinc/26/26/13/640262613.db2.gz YEJMOBGIXJVJQV-RCBQFDQVSA-N 2 0 290.407 2.350 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843115034 640285917 /nfs/dbraw/zinc/28/59/17/640285917.db2.gz FYUBIBCCUKIVCT-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(O)c1 ZINC000843126915 640293405 /nfs/dbraw/zinc/29/34/05/640293405.db2.gz NHGZRTAYLTVWCR-UHFFFAOYSA-N 2 0 290.407 2.366 20 10 CECDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2O)C1 ZINC000844909977 640863120 /nfs/dbraw/zinc/86/31/20/640863120.db2.gz FWWXHOBGLXYQRJ-VYDXJSESSA-N 2 0 290.407 2.253 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000846703813 641403196 /nfs/dbraw/zinc/40/31/96/641403196.db2.gz QLINSTAQXHMYMC-DZGCQCFKSA-N 2 0 261.413 2.373 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252870857 641591960 /nfs/dbraw/zinc/59/19/60/641591960.db2.gz SPCVDHPUDCHZKK-QEJZJMRPSA-N 2 0 260.381 2.260 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000848563091 642054629 /nfs/dbraw/zinc/05/46/29/642054629.db2.gz OIDATDFQULOMFQ-OKILXGFUSA-N 2 0 279.403 2.322 20 10 CECDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000848562894 642054950 /nfs/dbraw/zinc/05/49/50/642054950.db2.gz LXYWLXWOFJOFHK-GSJFWJNXSA-N 2 0 268.788 2.475 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000848718417 642111127 /nfs/dbraw/zinc/11/11/27/642111127.db2.gz MOVAWMRTBQAVCR-CVEARBPZSA-N 2 0 273.424 2.429 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848923746 642195274 /nfs/dbraw/zinc/19/52/74/642195274.db2.gz PMBNBXVCPUKFOB-KDYLLFBJSA-N 2 0 275.440 2.491 20 10 CECDRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923281604 643637480 /nfs/dbraw/zinc/63/74/80/643637480.db2.gz QEBBIOFLTTWMGO-OAHLLOKOSA-N 2 0 261.413 2.232 20 10 CECDRP Cc1cccc(O)c1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743056 650889453 /nfs/dbraw/zinc/88/94/53/650889453.db2.gz TUDPNUHVEJONRF-UKRRQHHQSA-N 2 0 260.381 2.227 20 10 CECDRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N(C)C)cc1 ZINC000863540095 646751052 /nfs/dbraw/zinc/75/10/52/646751052.db2.gz AMQYHSBNNDIWTG-INIZCTEOSA-N 2 0 291.439 2.301 20 10 CECDRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000863544587 646752658 /nfs/dbraw/zinc/75/26/58/646752658.db2.gz YMSWTGWCYYZOEQ-LLVKDONJSA-N 2 0 286.803 2.241 20 10 CECDRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(N(C)C)cc1 ZINC000863544788 646753022 /nfs/dbraw/zinc/75/30/22/646753022.db2.gz AWDHOMSYGJRZEM-MRXNPFEDSA-N 2 0 279.428 2.159 20 10 CECDRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000863544588 646753139 /nfs/dbraw/zinc/75/31/39/646753139.db2.gz YMSWTGWCYYZOEQ-NSHDSACASA-N 2 0 286.803 2.241 20 10 CECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775652053 646976194 /nfs/dbraw/zinc/97/61/94/646976194.db2.gz FLCDZWKOYSFROE-UHFFFAOYSA-N 2 0 259.397 2.033 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000775746534 646986469 /nfs/dbraw/zinc/98/64/69/646986469.db2.gz FHRIRXNLALMEKL-UHFFFAOYSA-N 2 0 273.424 2.424 20 10 CECDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748885 648793054 /nfs/dbraw/zinc/79/30/54/648793054.db2.gz VGJAOYRQLLBXCI-GOSISDBHSA-N 2 0 297.402 2.468 20 10 CECDRP CCOc1ccc(O)c(CN2CCCCC[C@H]([NH3+])C2)c1 ZINC000873216069 649593501 /nfs/dbraw/zinc/59/35/01/649593501.db2.gz OAHNWXYQGZMAOG-AWEZNQCLSA-N 2 0 278.396 2.494 20 10 CECDRP CC[NH+](CC)CCC[NH2+]Cc1cc(OC)ccc1O ZINC000020090582 649724157 /nfs/dbraw/zinc/72/41/57/649724157.db2.gz XURWDTWMBKUFAF-UHFFFAOYSA-N 2 0 266.385 2.222 20 10 CECDRP COc1ccc(O)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000020189499 649735664 /nfs/dbraw/zinc/73/56/64/649735664.db2.gz FJJPFAJFXDXSTH-UHFFFAOYSA-N 2 0 278.396 2.363 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@H]1C[NH3+] ZINC000708853955 803570327 /nfs/dbraw/zinc/57/03/27/803570327.db2.gz VKQMKVQEBIYRJI-XJKSGUPXSA-N 2 0 273.424 2.096 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1O ZINC001118242722 814997662 /nfs/dbraw/zinc/99/76/62/814997662.db2.gz IGYDJFKPQQAIFW-UHFFFAOYSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1cc(F)cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1O ZINC001238071004 808294176 /nfs/dbraw/zinc/29/41/76/808294176.db2.gz QSSZQPVCCDOAAI-UHFFFAOYSA-N 2 0 278.371 2.367 20 10 CECDRP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1O ZINC000700819772 809357461 /nfs/dbraw/zinc/35/74/61/809357461.db2.gz TXGKXKKPEVKBNO-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP CCc1cccc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1O ZINC000702452433 809558933 /nfs/dbraw/zinc/55/89/33/809558933.db2.gz NIXHFTQLROFJNK-DOTOQJQBSA-N 2 0 274.408 2.338 20 10 CECDRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C(F)(F)F ZINC000704353285 809730531 /nfs/dbraw/zinc/73/05/31/809730531.db2.gz YFWLSSSFQXNQQY-NEPJUHHUSA-N 2 0 288.313 2.351 20 10 CECDRP CCc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1O ZINC000691522260 812000094 /nfs/dbraw/zinc/00/00/94/812000094.db2.gz KQIINOPJPQNQIO-CYBMUJFWSA-N 2 0 262.397 2.386 20 10 CECDRP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001254501320 812415303 /nfs/dbraw/zinc/41/53/03/812415303.db2.gz SQAHRILOIYLEDQ-OAHLLOKOSA-N 2 0 260.381 2.195 20 10 CECDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+] ZINC000397304694 813611961 /nfs/dbraw/zinc/61/19/61/813611961.db2.gz GHDXMDMMJZUQEV-WZRBSPASSA-N 2 0 266.360 2.337 20 10 CECDRP CN(C)c1ccc(CN(C)[C@H]2CCCC[NH2+]C2)cc1 ZINC001246899103 814360968 /nfs/dbraw/zinc/36/09/68/814360968.db2.gz CPEUIKLGFIWVHN-INIZCTEOSA-N 2 0 261.413 2.327 20 10 CECDRP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206196979 815645539 /nfs/dbraw/zinc/64/55/39/815645539.db2.gz FKFISMVCZSAACV-ZIAGYGMSSA-N 2 0 266.360 2.216 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206201235 815740944 /nfs/dbraw/zinc/74/09/44/815740944.db2.gz WLIBFGDWOWVUDX-ZIAGYGMSSA-N 2 0 282.359 2.052 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC001139411118 816020098 /nfs/dbraw/zinc/02/00/98/816020098.db2.gz VXVSAAMWXZAJBE-AEFFLSMTSA-N 2 0 285.435 2.423 20 10 CECDRP Cc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1O ZINC001206312081 816662805 /nfs/dbraw/zinc/66/28/05/816662805.db2.gz ZIVZMSXFCYWQHP-MRXNPFEDSA-N 2 0 278.396 2.357 20 10 CECDRP C[NH+](C)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000076275395 363532859 /nfs/dbraw/zinc/53/28/59/363532859.db2.gz YPLXOCVWCFKMGT-UHFFFAOYSA-N 2 0 287.201 2.196 20 10 CECDRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1O ZINC000155740165 261106893 /nfs/dbraw/zinc/10/68/93/261106893.db2.gz JECCOCMWKMKBRY-GDBMZVCRSA-N 2 0 291.439 2.069 20 10 CECDRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(F)ccc2O)C1 ZINC000290649392 523991773 /nfs/dbraw/zinc/99/17/73/523991773.db2.gz YZNPDKXCKXZZIA-WFASDCNBSA-N 2 0 278.371 2.447 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290641802 525941124 /nfs/dbraw/zinc/94/11/24/525941124.db2.gz YMXYPIUKZUZQMM-DZGCQCFKSA-N 2 0 290.407 2.317 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000090720999 623543699 /nfs/dbraw/zinc/54/36/99/623543699.db2.gz PCOSUZSMJNLATG-ZFWWWQNUSA-N 2 0 261.413 2.325 20 10 CECDRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000313873244 627827411 /nfs/dbraw/zinc/82/74/11/627827411.db2.gz MACXEONSHSFILF-YOEHRIQHSA-N 2 0 290.407 2.352 20 10 CECDRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000902393586 634633702 /nfs/dbraw/zinc/63/37/02/634633702.db2.gz QQTLAFQBZLSVGL-HNNXBMFYSA-N 2 0 261.413 2.179 20 10 CECDRP CN(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000312890807 628555626 /nfs/dbraw/zinc/55/56/26/628555626.db2.gz WRKJCUKUTUENPU-IYBDPMFKSA-N 2 0 273.424 2.184 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902519211 634712199 /nfs/dbraw/zinc/71/21/99/634712199.db2.gz XYWGMOCLUSVOQX-ZQIUZPCESA-N 2 0 292.471 2.071 20 10 CECDRP COc1cc(C)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000894172295 629188174 /nfs/dbraw/zinc/18/81/74/629188174.db2.gz HHWNKSTWTUPOGA-CYBMUJFWSA-N 2 0 290.407 2.283 20 10 CECDRP c1cc2c(cc1C[NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000259042439 629217041 /nfs/dbraw/zinc/21/70/41/629217041.db2.gz PSJIHOQPXNTQGV-ZDUSSCGKSA-N 2 0 260.381 2.101 20 10 CECDRP COc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000894254024 629263769 /nfs/dbraw/zinc/26/37/69/629263769.db2.gz LBKKIWMTYVEZME-CYBMUJFWSA-N 2 0 278.396 2.141 20 10 CECDRP COc1cccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c1O ZINC000898309059 632167221 /nfs/dbraw/zinc/16/72/21/632167221.db2.gz JMOOPEYGJCMMHS-UHFFFAOYSA-N 2 0 280.412 2.420 20 10 CECDRP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1O ZINC000898310649 632167250 /nfs/dbraw/zinc/16/72/50/632167250.db2.gz ZCKBPRKVEOKVBY-UHFFFAOYSA-N 2 0 250.386 2.412 20 10 CECDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887684 633751882 /nfs/dbraw/zinc/75/18/82/633751882.db2.gz CDBBDTVYTMWYMY-KGLIPLIRSA-N 2 0 293.480 2.455 20 10 CECDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817896567 633757776 /nfs/dbraw/zinc/75/77/76/633757776.db2.gz KQCUDEZQTWIPLR-CJNGLKHVSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817954682 633798391 /nfs/dbraw/zinc/79/83/91/633798391.db2.gz HAUITVBGSCROBM-KGLIPLIRSA-N 2 0 261.413 2.403 20 10 CECDRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817955521 633798806 /nfs/dbraw/zinc/79/88/06/633798806.db2.gz XXENGAUMTSPKMV-QWRGUYRKSA-N 2 0 252.333 2.182 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000817959724 633801909 /nfs/dbraw/zinc/80/19/09/633801909.db2.gz URKCHXMUPHBMEH-MFKMUULPSA-N 2 0 252.358 2.035 20 10 CECDRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1O ZINC000817977280 633820128 /nfs/dbraw/zinc/82/01/28/633820128.db2.gz GBZZKCBGNHJJPV-UVRHIYEWSA-N 2 0 297.196 2.023 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000824650787 635469667 /nfs/dbraw/zinc/46/96/67/635469667.db2.gz QTSFIMPWFYBDND-GOSISDBHSA-N 2 0 285.435 2.423 20 10 CECDRP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(O)c1 ZINC000876597165 650352664 /nfs/dbraw/zinc/35/26/64/650352664.db2.gz LYIHNLIJBVYPBH-AWEZNQCLSA-N 2 0 262.397 2.474 20 10 CECDRP COc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1O ZINC000841089268 637709080 /nfs/dbraw/zinc/70/90/80/637709080.db2.gz KLTMLKYGXCUXSU-ZDUSSCGKSA-N 2 0 276.380 2.165 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000841028522 639620835 /nfs/dbraw/zinc/62/08/35/639620835.db2.gz AKLMIUAEZYZEEJ-CZUORRHYSA-N 2 0 261.413 2.278 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000841033544 639624812 /nfs/dbraw/zinc/62/48/12/639624812.db2.gz UYOFIFLKIOXFNT-LLCTXKFZSA-N 2 0 273.424 2.355 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1O ZINC000841032631 639625399 /nfs/dbraw/zinc/62/53/99/639625399.db2.gz IHDCHRQJNVDTSE-NSHDSACASA-N 2 0 268.788 2.443 20 10 CECDRP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000841033068 639625669 /nfs/dbraw/zinc/62/56/69/639625669.db2.gz KABMCBQLZKZCAK-CHWSQXEVSA-N 2 0 278.396 2.269 20 10 CECDRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841050167 639633209 /nfs/dbraw/zinc/63/32/09/639633209.db2.gz YRJGZQPZFCINBJ-AWEZNQCLSA-N 2 0 261.413 2.361 20 10 CECDRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841056920 639634654 /nfs/dbraw/zinc/63/46/54/639634654.db2.gz FYUXGIGPEDWXGT-UWVGGRQHSA-N 2 0 254.761 2.405 20 10 CECDRP C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC[NH2+]C1 ZINC000841057957 639635744 /nfs/dbraw/zinc/63/57/44/639635744.db2.gz UCPMTYXFDDQOLR-INIZCTEOSA-N 2 0 260.381 2.101 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841061227 639636171 /nfs/dbraw/zinc/63/61/71/639636171.db2.gz HCBSJSHTXICCGT-SKDRFNHKSA-N 2 0 284.787 2.284 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(O)c1 ZINC000841079804 639648364 /nfs/dbraw/zinc/64/83/64/639648364.db2.gz OQKACBZQDNEPLT-OAHLLOKOSA-N 2 0 276.380 2.023 20 10 CECDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841085214 639650232 /nfs/dbraw/zinc/65/02/32/639650232.db2.gz XBATVYFPUSDYIF-SKDRFNHKSA-N 2 0 254.761 2.263 20 10 CECDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841085213 639650383 /nfs/dbraw/zinc/65/03/83/639650383.db2.gz XBATVYFPUSDYIF-JOYOIKCWSA-N 2 0 254.761 2.263 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000841084774 639650698 /nfs/dbraw/zinc/65/06/98/639650698.db2.gz PJKDHFSQXVKJCJ-MEGKRXCUSA-N 2 0 273.424 2.483 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000841100813 639656349 /nfs/dbraw/zinc/65/63/49/639656349.db2.gz KPQKJDHVXKXCBT-TZMCWYRMSA-N 2 0 278.396 2.208 20 10 CECDRP CCOc1cccc(C[NH+]2CCC(C[NH2+]C)CC2)c1O ZINC000063158796 639836466 /nfs/dbraw/zinc/83/64/66/639836466.db2.gz QLURPTSPFSBXGE-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP C[N@H+](Cc1cc(Cl)ccc1O)C1CC[NH2+]CC1 ZINC000843045066 640249286 /nfs/dbraw/zinc/24/92/86/640249286.db2.gz HHMOFGWVLLWKNF-UHFFFAOYSA-N 2 0 254.761 2.229 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000843046416 640250686 /nfs/dbraw/zinc/25/06/86/640250686.db2.gz VFZILBKEXKSXLO-SNAWJCMRSA-N 2 0 273.424 2.450 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843051476 640255027 /nfs/dbraw/zinc/25/50/27/640255027.db2.gz JEGYIHUOXRWQDR-OLZOCXBDSA-N 2 0 278.396 2.350 20 10 CECDRP COc1cccc(O)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055644 640258991 /nfs/dbraw/zinc/25/89/91/640258991.db2.gz JQLYLLWASPKBAM-UHFFFAOYSA-N 2 0 264.369 2.103 20 10 CECDRP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843118264 640288254 /nfs/dbraw/zinc/28/82/54/640288254.db2.gz GGJDDCMBAGXEGM-INIZCTEOSA-N 2 0 260.381 2.276 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125659 640291674 /nfs/dbraw/zinc/29/16/74/640291674.db2.gz DKCKMAGILXTXJS-KBPBESRZSA-N 2 0 260.381 2.214 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125660 640292328 /nfs/dbraw/zinc/29/23/28/640292328.db2.gz DKCKMAGILXTXJS-KGLIPLIRSA-N 2 0 260.381 2.214 20 10 CECDRP CN(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000843126633 640293088 /nfs/dbraw/zinc/29/30/88/640293088.db2.gz MGHRSPXBOFKERQ-GASCZTMLSA-N 2 0 291.414 2.323 20 10 CECDRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2c1OCC2 ZINC000843341598 640394699 /nfs/dbraw/zinc/39/46/99/640394699.db2.gz VSBSIHJELQFTLA-OWCLPIDISA-N 2 0 272.392 2.099 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000843342784 640395115 /nfs/dbraw/zinc/39/51/15/640395115.db2.gz ONWQFGIGBYGQFR-QLFBSQMISA-N 2 0 291.414 2.369 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000844924379 640867342 /nfs/dbraw/zinc/86/73/42/640867342.db2.gz KYXXIWKVFGOSDC-AWEZNQCLSA-N 2 0 260.381 2.359 20 10 CECDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000070171808 641641779 /nfs/dbraw/zinc/64/17/79/641641779.db2.gz KMYLCFWXEKEZOZ-HIFRSBDPSA-N 2 0 261.413 2.312 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C=CCC3)cc2)CC1 ZINC000850359107 642682110 /nfs/dbraw/zinc/68/21/10/642682110.db2.gz WQMCTGDKGQVOTD-INIZCTEOSA-N 2 0 271.408 2.247 20 10 CECDRP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1N(C)C ZINC000923331447 643661164 /nfs/dbraw/zinc/66/11/64/643661164.db2.gz MBXWYTNUCWKCGS-HIFRSBDPSA-N 2 0 261.413 2.230 20 10 CECDRP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1N(C)C ZINC000923347076 643676078 /nfs/dbraw/zinc/67/60/78/643676078.db2.gz UWMKUAMQBUBNHO-UHFFFAOYSA-N 2 0 261.413 2.374 20 10 CECDRP C[C@@H](NCC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1O ZINC000854225952 644016271 /nfs/dbraw/zinc/01/62/71/644016271.db2.gz CAJZZGVFMYAQGU-NAUIOFCNSA-N 2 0 266.772 2.448 20 10 CECDRP COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000854224666 644016398 /nfs/dbraw/zinc/01/63/98/644016398.db2.gz YGFONYLAEHLYDJ-LLVKDONJSA-N 2 0 292.379 2.101 20 10 CECDRP CN(C)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000112119172 644028953 /nfs/dbraw/zinc/02/89/53/644028953.db2.gz ZBTQTNZIJBLSKU-UHFFFAOYSA-N 2 0 296.418 2.470 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000757945874 644861840 /nfs/dbraw/zinc/86/18/40/644861840.db2.gz JATRBBPNLSNQSB-UHFFFAOYSA-N 2 0 292.423 2.070 20 10 CECDRP Cn1cccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771843315 646558650 /nfs/dbraw/zinc/55/86/50/646558650.db2.gz OHMWURVALQBCOW-UHFFFAOYSA-N 2 0 298.434 2.067 20 10 CECDRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(C)cc1O ZINC000863546615 646753497 /nfs/dbraw/zinc/75/34/97/646753497.db2.gz LRTTVDXMUAXPMW-CQSZACIVSA-N 2 0 266.385 2.107 20 10 CECDRP C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793220189 648725411 /nfs/dbraw/zinc/72/54/11/648725411.db2.gz LILBEVXPLPFFDN-HUUCEWRRSA-N 2 0 273.424 2.421 20 10 CECDRP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(O)ccc4ccncc43)CC[C@@H]21 ZINC000872726683 649469963 /nfs/dbraw/zinc/46/99/63/649469963.db2.gz UIFRBMPCNYGTBR-YOEHRIQHSA-N 2 0 297.402 2.466 20 10 CECDRP Cc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1O ZINC000124532545 649682821 /nfs/dbraw/zinc/68/28/21/649682821.db2.gz VVHUDMYVCCJIFK-UHFFFAOYSA-N 2 0 262.397 2.474 20 10 CECDRP CC[NH+](CC)CCC[NH2+]Cc1cccc(OC)c1O ZINC000019942953 649692925 /nfs/dbraw/zinc/69/29/25/649692925.db2.gz RDXISGKMRCTDBG-UHFFFAOYSA-N 2 0 266.385 2.222 20 10 CECDRP [NH3+][C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001205095462 807592211 /nfs/dbraw/zinc/59/22/11/807592211.db2.gz XSQQOZBZTCGUPG-LBPRGKRZSA-N 2 0 254.761 2.359 20 10 CECDRP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000699664738 807791326 /nfs/dbraw/zinc/79/13/26/807791326.db2.gz JUGKGWGWIPXFFV-ZFWWWQNUSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@@H]1CC[C@@H](NCc2ccc(Br)cc2O)C[NH2+]1 ZINC001246341640 813792824 /nfs/dbraw/zinc/79/28/24/813792824.db2.gz BLZIIHOGVRATCZ-BXKDBHETSA-N 2 0 299.212 2.385 20 10 CECDRP C[NH+]1CCC2(CC[N@H+](Cc3cc(O)ccc3O)C2)CC1 ZINC001141160977 816492112 /nfs/dbraw/zinc/49/21/12/816492112.db2.gz LLBBGKHCKKEAET-UHFFFAOYSA-N 2 0 276.380 2.016 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1O ZINC000049553121 260663946 /nfs/dbraw/zinc/66/39/46/260663946.db2.gz JDZWTMXNRZPTNK-LBPRGKRZSA-N 2 0 266.385 2.221 20 10 CECDRP Oc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371463716 373891005 /nfs/dbraw/zinc/89/10/05/373891005.db2.gz KOTGZCZHAUGPED-OAGGEKHMSA-N 2 0 272.392 2.308 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CCCC[NH+](C)C)c1O ZINC000228672678 394476337 /nfs/dbraw/zinc/47/63/37/394476337.db2.gz LTZWNNRQFGRSMA-UHFFFAOYSA-N 2 0 286.803 2.486 20 10 CECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1O ZINC000183548607 395259730 /nfs/dbraw/zinc/25/97/30/395259730.db2.gz PHUWVXPGMQQKDJ-KGLIPLIRSA-N 2 0 280.412 2.400 20 10 CECDRP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252666923 334384649 /nfs/dbraw/zinc/38/46/49/334384649.db2.gz CUVLSCBCTBJFPJ-KBPBESRZSA-N 2 0 276.380 2.117 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408223 522207740 /nfs/dbraw/zinc/20/77/40/522207740.db2.gz SLPSOCJEXKAUMG-OAHLLOKOSA-N 2 0 273.424 2.327 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290641809 525942408 /nfs/dbraw/zinc/94/24/08/525942408.db2.gz YMXYPIUKZUZQMM-ZFWWWQNUSA-N 2 0 290.407 2.317 20 10 CECDRP Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420808 635633243 /nfs/dbraw/zinc/63/32/43/635633243.db2.gz GVSKWGXICCOYAW-CMPLNLGQSA-N 2 0 266.772 2.087 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000841064067 632378443 /nfs/dbraw/zinc/37/84/43/632378443.db2.gz OTHINFJJXNDYEI-ZWNOBZJWSA-N 2 0 268.788 2.442 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]C/C=C\Cl)cc2)CC1 ZINC000898434002 632495827 /nfs/dbraw/zinc/49/58/27/632495827.db2.gz REFIRKJOBKXZLL-UQCOIBPSSA-N 2 0 279.815 2.281 20 10 CECDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902323 633764350 /nfs/dbraw/zinc/76/43/50/633764350.db2.gz NSXZFWKSCKEYAM-DOMZBBRYSA-N 2 0 260.381 2.099 20 10 CECDRP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817934691 633786496 /nfs/dbraw/zinc/78/64/96/633786496.db2.gz MYZZEFWILOVWBD-ZIAGYGMSSA-N 2 0 275.440 2.190 20 10 CECDRP CC[NH2+]CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817942614 633791044 /nfs/dbraw/zinc/79/10/44/633791044.db2.gz BJIKYUMUDXITRE-LLVKDONJSA-N 2 0 252.358 2.051 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000817969016 633812367 /nfs/dbraw/zinc/81/23/67/633812367.db2.gz PJNLQUAAIFCMHR-RYUDHWBXSA-N 2 0 264.369 2.194 20 10 CECDRP COCC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CC[NH2+]CC1 ZINC000817975685 633819108 /nfs/dbraw/zinc/81/91/08/633819108.db2.gz XTYXRRPRGAXEME-CQSZACIVSA-N 2 0 292.423 2.367 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2c1c(F)ccc2O ZINC000817982506 633827354 /nfs/dbraw/zinc/82/73/54/633827354.db2.gz UFNNYIZWZVEVQT-NTZNESFSSA-N 2 0 294.370 2.048 20 10 CECDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCCC[NH2+]C1 ZINC000903716806 635230974 /nfs/dbraw/zinc/23/09/74/635230974.db2.gz SWLYWARHRLPVEJ-OAHLLOKOSA-N 2 0 273.424 2.288 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CCC(C)(C)[NH3+])c1 ZINC000903938721 635363595 /nfs/dbraw/zinc/36/35/95/635363595.db2.gz IENZQCLPFWXGJP-UHFFFAOYSA-N 2 0 252.358 2.008 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903959434 635369451 /nfs/dbraw/zinc/36/94/51/635369451.db2.gz HYIHXOTYYICKGO-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087473 637568252 /nfs/dbraw/zinc/56/82/52/637568252.db2.gz OECNJXWKJWMIEP-ZFWWWQNUSA-N 2 0 290.407 2.365 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000044535079 639321695 /nfs/dbraw/zinc/32/16/95/639321695.db2.gz XYAMJRBZWKBCHG-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876940374 650497091 /nfs/dbraw/zinc/49/70/91/650497091.db2.gz SFBCEJXPTXVOBU-CABCVRRESA-N 2 0 260.381 2.417 20 10 CECDRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876940376 650497183 /nfs/dbraw/zinc/49/71/83/650497183.db2.gz SFBCEJXPTXVOBU-HUUCEWRRSA-N 2 0 260.381 2.417 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]C[C@H]([NH3+])C(C)C)c1O ZINC000841029468 639621718 /nfs/dbraw/zinc/62/17/18/639621718.db2.gz HKPGTWAMKAMZJO-LBPRGKRZSA-N 2 0 256.777 2.427 20 10 CECDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841031323 639622171 /nfs/dbraw/zinc/62/21/71/639622171.db2.gz ROTYXBNHUPSCTB-GXFFZTMASA-N 2 0 252.333 2.138 20 10 CECDRP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1C ZINC000841058375 639635461 /nfs/dbraw/zinc/63/54/61/639635461.db2.gz WPQPSOHBUKJJHP-MRXNPFEDSA-N 2 0 262.397 2.483 20 10 CECDRP CN(C)c1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1F ZINC000841057068 639635678 /nfs/dbraw/zinc/63/56/78/639635678.db2.gz LOLZKVHVSNDCKN-UHFFFAOYSA-N 2 0 279.403 2.371 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841061224 639636571 /nfs/dbraw/zinc/63/65/71/639636571.db2.gz HCBSJSHTXICCGT-BXKDBHETSA-N 2 0 284.787 2.284 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841063994 639639426 /nfs/dbraw/zinc/63/94/26/639639426.db2.gz NRNTYMKQLCJRHJ-ROHVMALMSA-N 2 0 273.424 2.353 20 10 CECDRP COc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1O ZINC000841072626 639643469 /nfs/dbraw/zinc/64/34/69/639643469.db2.gz LPBNPOZZCZXNJR-CYBMUJFWSA-N 2 0 264.369 2.023 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000841078789 639648295 /nfs/dbraw/zinc/64/82/95/639648295.db2.gz GPQNBHODBZOANA-LLVKDONJSA-N 2 0 252.358 2.008 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079328 639648412 /nfs/dbraw/zinc/64/84/12/639648412.db2.gz MJFVWNFRAYEDFW-INIZCTEOSA-N 2 0 273.424 2.293 20 10 CECDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841085211 639650753 /nfs/dbraw/zinc/65/07/53/639650753.db2.gz XBATVYFPUSDYIF-BXKDBHETSA-N 2 0 254.761 2.263 20 10 CECDRP CCCN(CCC)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000841094395 639655596 /nfs/dbraw/zinc/65/55/96/639655596.db2.gz XORHPTSTPMOFNE-KRWDZBQOSA-N 2 0 293.455 2.064 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048311 640252015 /nfs/dbraw/zinc/25/20/15/640252015.db2.gz IPRHULVVUQSORL-NHZBNJEXSA-N 2 0 259.397 2.046 20 10 CECDRP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000843048229 640252153 /nfs/dbraw/zinc/25/21/53/640252153.db2.gz CQAIBTYFTDGGGK-JTQLQIEISA-N 2 0 254.761 2.135 20 10 CECDRP C[NH2+]C[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843052090 640254859 /nfs/dbraw/zinc/25/48/59/640254859.db2.gz FZMTYAKJEBDMOK-DWTRPJMMSA-N 2 0 273.424 2.307 20 10 CECDRP [NH3+]CC1(CC[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000844903071 640861206 /nfs/dbraw/zinc/86/12/06/640861206.db2.gz ZNYJNZHUJSBMLB-UHFFFAOYSA-N 2 0 254.761 2.264 20 10 CECDRP CN(C)c1ccc(/C=C\CNC2CC([NH+](C)C)C2)cc1 ZINC000848557126 642051821 /nfs/dbraw/zinc/05/18/21/642051821.db2.gz HOKYJFZYSRLEDY-WAYWQWQTSA-N 2 0 273.424 2.448 20 10 CECDRP Nc1ccc(CC[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000849350736 642340521 /nfs/dbraw/zinc/34/05/21/642340521.db2.gz UPOPHANIOLOZPR-UHFFFAOYSA-N 2 0 281.403 2.247 20 10 CECDRP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)ccc1N(C)C ZINC000923423625 643703618 /nfs/dbraw/zinc/70/36/18/643703618.db2.gz YBCHCOISJFJVRY-HUUCEWRRSA-N 2 0 261.413 2.276 20 10 CECDRP Cc1cccc(O)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743052 650888969 /nfs/dbraw/zinc/88/89/69/650888969.db2.gz TUDPNUHVEJONRF-DZGCQCFKSA-N 2 0 260.381 2.227 20 10 CECDRP CC[N@@H+]1CC[C@H](CNCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858100038 645059935 /nfs/dbraw/zinc/05/99/35/645059935.db2.gz HLTDAFKAFYSOHR-GFCCVEGCSA-N 2 0 297.393 2.462 20 10 CECDRP CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775784769 646992001 /nfs/dbraw/zinc/99/20/01/646992001.db2.gz IEELOIBFOHCVQT-CQSZACIVSA-N 2 0 261.413 2.327 20 10 CECDRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725573 649469650 /nfs/dbraw/zinc/46/96/50/649469650.db2.gz UOQUZFBPQWCJPC-DOTOQJQBSA-N 2 0 286.419 2.407 20 10 CECDRP Nc1ccc(CC[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210381 649590720 /nfs/dbraw/zinc/59/07/20/649590720.db2.gz DOLVXTYFYMODTO-UHFFFAOYSA-N 2 0 287.432 2.308 20 10 CECDRP Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205146485 807822719 /nfs/dbraw/zinc/82/27/19/807822719.db2.gz XKRFJFYWPAHXLI-CMPLNLGQSA-N 2 0 268.788 2.381 20 10 CECDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000392248003 813299075 /nfs/dbraw/zinc/29/90/75/813299075.db2.gz RREZQRCDPMSUSI-AWEZNQCLSA-N 2 0 258.365 2.231 20 10 CECDRP COc1ccc(O)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000134004600 366277153 /nfs/dbraw/zinc/27/71/53/366277153.db2.gz SPMZJSOPVXHKEQ-UHFFFAOYSA-N 2 0 278.396 2.174 20 10 CECDRP CC[C@@H](c1ccccc1O)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367325509 373148651 /nfs/dbraw/zinc/14/86/51/373148651.db2.gz DBYNRHLSGRRGKJ-GUTXKFCHSA-N 2 0 260.381 2.337 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293692560 395248490 /nfs/dbraw/zinc/24/84/90/395248490.db2.gz NVTLINWRVQMVHU-RYUDHWBXSA-N 2 0 266.385 2.249 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000933732384 623982035 /nfs/dbraw/zinc/98/20/35/623982035.db2.gz POKLIUZBEMYIRS-DOTOQJQBSA-N 2 0 273.424 2.136 20 10 CECDRP C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C[NH+](C)C ZINC000310777877 631185220 /nfs/dbraw/zinc/18/52/20/631185220.db2.gz DZGUYMCKWAZKBY-QWRGUYRKSA-N 2 0 254.349 2.380 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000841061419 632363403 /nfs/dbraw/zinc/36/34/03/632363403.db2.gz IRQSLNRGSIBEKO-YPMHNXCESA-N 2 0 265.376 2.122 20 10 CECDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817896566 633758354 /nfs/dbraw/zinc/75/83/54/633758354.db2.gz KQCUDEZQTWIPLR-BBRMVZONSA-N 2 0 261.413 2.230 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000817903123 633764063 /nfs/dbraw/zinc/76/40/63/633764063.db2.gz IEQYHOHPEDOJBT-SJORKVTESA-N 2 0 289.423 2.133 20 10 CECDRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1O ZINC000817937524 633787872 /nfs/dbraw/zinc/78/78/72/633787872.db2.gz XGPXPUZRCIESMW-VIFPVBQESA-N 2 0 254.761 2.448 20 10 CECDRP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000817942117 633789874 /nfs/dbraw/zinc/78/98/74/633789874.db2.gz MLTFTXUKFXQRFW-BBWFWOEESA-N 2 0 290.455 2.002 20 10 CECDRP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817942617 633791269 /nfs/dbraw/zinc/79/12/69/633791269.db2.gz BJIKYUMUDXITRE-NSHDSACASA-N 2 0 252.358 2.051 20 10 CECDRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817946003 633792797 /nfs/dbraw/zinc/79/27/97/633792797.db2.gz PNWUHPNYMLVSKK-QWRGUYRKSA-N 2 0 252.333 2.182 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000817982509 633825742 /nfs/dbraw/zinc/82/57/42/633825742.db2.gz UFPCKBOHJSHZEM-SDDRHHMPSA-N 2 0 264.369 2.179 20 10 CECDRP CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302089 635555433 /nfs/dbraw/zinc/55/54/33/635555433.db2.gz RDIXKLWZXHKHEH-GASCZTMLSA-N 2 0 261.413 2.312 20 10 CECDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]C1 ZINC000904353026 635585181 /nfs/dbraw/zinc/58/51/81/635585181.db2.gz GKVSTLKBTVXNAT-XJKSGUPXSA-N 2 0 274.408 2.489 20 10 CECDRP C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC[NH2+]C1 ZINC000904354998 635586899 /nfs/dbraw/zinc/58/68/99/635586899.db2.gz JHGWOXUPZWHMGL-QGZVFWFLSA-N 2 0 274.408 2.491 20 10 CECDRP CC1([NH2+]Cc2ccc3c(c2)CCCO3)CC[NH2+]CC1 ZINC000904355512 635587848 /nfs/dbraw/zinc/58/78/48/635587848.db2.gz OKVBWPRRIXFIQT-UHFFFAOYSA-N 2 0 260.381 2.243 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000904411248 635619458 /nfs/dbraw/zinc/61/94/58/635619458.db2.gz KHKHNXBBPRGXFQ-DZGCQCFKSA-N 2 0 261.413 2.169 20 10 CECDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089326 637710085 /nfs/dbraw/zinc/71/00/85/637710085.db2.gz LSRRSKGCXFBFHZ-AWEZNQCLSA-N 2 0 260.381 2.465 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(O)c1 ZINC000841028720 639621409 /nfs/dbraw/zinc/62/14/09/639621409.db2.gz CPBBMTKNDOJMBH-WFASDCNBSA-N 2 0 278.396 2.398 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1O ZINC000841033085 639625404 /nfs/dbraw/zinc/62/54/04/639625404.db2.gz KGJIVTATVGTQFD-QWHCGFSZSA-N 2 0 278.396 2.269 20 10 CECDRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841056923 639634814 /nfs/dbraw/zinc/63/48/14/639634814.db2.gz FYUXGIGPEDWXGT-VHSXEESVSA-N 2 0 254.761 2.405 20 10 CECDRP CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)c(O)c1 ZINC000841057076 639635614 /nfs/dbraw/zinc/63/56/14/639635614.db2.gz LRZVEEGWEMEHJL-UHFFFAOYSA-N 2 0 278.396 2.270 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000841057365 639635749 /nfs/dbraw/zinc/63/57/49/639635749.db2.gz JMMPLPVACFXTOO-MRXNPFEDSA-N 2 0 292.423 2.463 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000841064642 639639937 /nfs/dbraw/zinc/63/99/37/639639937.db2.gz RQXMBGDGNGCNPK-CZUORRHYSA-N 2 0 261.413 2.149 20 10 CECDRP Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000841101726 639667370 /nfs/dbraw/zinc/66/73/70/639667370.db2.gz ZTCAASKJNFIRJK-NHYWBVRUSA-N 2 0 262.397 2.426 20 10 CECDRP CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)c(O)c1 ZINC000843049769 640253879 /nfs/dbraw/zinc/25/38/79/640253879.db2.gz SZYGVZXMDBXHIT-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP Cc1cc(Cl)cc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000843125643 640291977 /nfs/dbraw/zinc/29/19/77/640291977.db2.gz ZYXJZTRMGWIGRF-UHFFFAOYSA-N 2 0 254.761 2.276 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125188 640292276 /nfs/dbraw/zinc/29/22/76/640292276.db2.gz NRLQZEAPUYUNBL-KBPBESRZSA-N 2 0 290.407 2.222 20 10 CECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(C)cccc1O ZINC000877157827 650602074 /nfs/dbraw/zinc/60/20/74/650602074.db2.gz CZJAJAHSFRRDBU-AWEZNQCLSA-N 2 0 280.412 2.147 20 10 CECDRP COc1ccc(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844904088 640861221 /nfs/dbraw/zinc/86/12/21/640861221.db2.gz ARHGJGIWAZBDJD-UHFFFAOYSA-N 2 0 290.338 2.288 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000849350812 642340453 /nfs/dbraw/zinc/34/04/53/642340453.db2.gz XFJAOHJUNIWTJI-GJZGRUSLSA-N 2 0 289.423 2.006 20 10 CECDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921969496 642817992 /nfs/dbraw/zinc/81/79/92/642817992.db2.gz XFDIUBSMESYENZ-UHFFFAOYSA-N 2 0 272.392 2.363 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923291453 643638634 /nfs/dbraw/zinc/63/86/34/643638634.db2.gz SQMIGAFBIGEWPD-UKRRQHHQSA-N 2 0 261.413 2.230 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000877717362 650868359 /nfs/dbraw/zinc/86/83/59/650868359.db2.gz JTBUFODLBGNUIV-UHFFFAOYSA-N 2 0 273.424 2.280 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC=CC3)cc2)CC1 ZINC000771844382 646558617 /nfs/dbraw/zinc/55/86/17/646558617.db2.gz UDXRWYVIVWGYEG-UHFFFAOYSA-N 2 0 271.408 2.247 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872251231 649329008 /nfs/dbraw/zinc/32/90/08/649329008.db2.gz IGWIHQMLJWNVMW-CYBMUJFWSA-N 2 0 278.396 2.269 20 10 CECDRP COc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000872725542 649469930 /nfs/dbraw/zinc/46/99/30/649469930.db2.gz UDNYXLWWAJTPSP-ZFWWWQNUSA-N 2 0 290.407 2.235 20 10 CECDRP Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000873216557 649593402 /nfs/dbraw/zinc/59/34/02/649593402.db2.gz QJLMMILYIGKHJE-CMPLNLGQSA-N 2 0 268.788 2.381 20 10 CECDRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1O ZINC000873244720 649607427 /nfs/dbraw/zinc/60/74/27/649607427.db2.gz JBOYGEDZWQDZLC-ZDUSSCGKSA-N 2 0 298.390 2.370 20 10 CECDRP Cc1ccc(O)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000382205791 803230804 /nfs/dbraw/zinc/23/08/04/803230804.db2.gz HGCJDRSOOVVKQU-OKILXGFUSA-N 2 0 260.381 2.132 20 10 CECDRP [NH3+][C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001205095461 807591389 /nfs/dbraw/zinc/59/13/89/807591389.db2.gz XSQQOZBZTCGUPG-GFCCVEGCSA-N 2 0 254.761 2.359 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001172106209 815296271 /nfs/dbraw/zinc/29/62/71/815296271.db2.gz NMOLCNDSCPXCPA-BTTYYORXSA-N 2 0 276.380 2.203 20 10 CECDRP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206196978 815645457 /nfs/dbraw/zinc/64/54/57/815645457.db2.gz FKFISMVCZSAACV-UONOGXRCSA-N 2 0 266.360 2.216 20 10 CECDRP COc1cc(C[N@H+](C)CCSC)cc(C[NH+](C)C)c1O ZINC001139259950 815998368 /nfs/dbraw/zinc/99/83/68/815998368.db2.gz FAUPHJFRMJYMNW-UHFFFAOYSA-N 2 0 298.452 2.257 20 10 CECDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)CCF)cc2)CC1 ZINC001140306910 816227177 /nfs/dbraw/zinc/22/71/77/816227177.db2.gz ZZAQKBXCTHNJJJ-UHFFFAOYSA-N 2 0 279.403 2.230 20 10 CECDRP CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(Cl)c1 ZINC001140925279 816411949 /nfs/dbraw/zinc/41/19/49/816411949.db2.gz QUXSPJILVIXWQR-OKILXGFUSA-N 2 0 293.842 2.399 20 10 CECDRP Oc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366268242 373020185 /nfs/dbraw/zinc/02/01/85/373020185.db2.gz KOWBJKJAFSVBGR-UHFFFAOYSA-N 2 0 260.381 2.499 20 10 CECDRP Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1O ZINC000272625518 373587635 /nfs/dbraw/zinc/58/76/35/373587635.db2.gz MKGITCYIMNWNSH-ZFWWWQNUSA-N 2 0 260.381 2.227 20 10 CECDRP Oc1ccc(F)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371529023 373912689 /nfs/dbraw/zinc/91/26/89/373912689.db2.gz PPKACNFRBXHLQR-BMFZPTHFSA-N 2 0 290.382 2.447 20 10 CECDRP [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371526826 373912954 /nfs/dbraw/zinc/91/29/54/373912954.db2.gz FXFOSJVIYPCMQN-YCPHGPKFSA-N 2 0 290.382 2.447 20 10 CECDRP [O-]c1cc(F)c(Cl)cc1C[NH2+]CCn1ccnc1 ZINC000294202765 377938228 /nfs/dbraw/zinc/93/82/28/377938228.db2.gz KWZAUJJPCXIDAW-UHFFFAOYSA-N 2 0 269.707 2.171 20 10 CECDRP C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000154543427 395022808 /nfs/dbraw/zinc/02/28/08/395022808.db2.gz YIEXUBCFTFDDTM-BBRMVZONSA-N 2 0 261.413 2.497 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290611145 263117761 /nfs/dbraw/zinc/11/77/61/263117761.db2.gz WPKIGHQENSOUCS-BBRMVZONSA-N 2 0 290.407 2.317 20 10 CECDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000368734739 267200928 /nfs/dbraw/zinc/20/09/28/267200928.db2.gz ZYOOVWCUZOWFKV-CKEIUWERSA-N 2 0 287.451 2.497 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277289799 524743664 /nfs/dbraw/zinc/74/36/64/524743664.db2.gz AOEQITXWHDQBDS-AWEZNQCLSA-N 2 0 278.396 2.317 20 10 CECDRP COc1ccc(O)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040622410 623746246 /nfs/dbraw/zinc/74/62/46/623746246.db2.gz YKPFHXRGYITYGA-CYBMUJFWSA-N 2 0 278.396 2.221 20 10 CECDRP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@]1(C)C[NH3+] ZINC000310938032 627325163 /nfs/dbraw/zinc/32/51/63/627325163.db2.gz VKGPSNYNYKVYHB-QMTHXVAHSA-N 2 0 268.788 2.462 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000313002067 628574777 /nfs/dbraw/zinc/57/47/77/628574777.db2.gz NJASTLJGQKPRAP-RDJZCZTQSA-N 2 0 273.424 2.313 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CCCC[NH+](C)C ZINC000840933768 628750371 /nfs/dbraw/zinc/75/03/71/628750371.db2.gz SOVFMHKYDVHMII-UHFFFAOYSA-N 2 0 263.429 2.492 20 10 CECDRP COc1cc(C)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000895190022 630019768 /nfs/dbraw/zinc/01/97/68/630019768.db2.gz ZPMZYCYDLMKBSW-XBXGTLAGSA-N 2 0 278.396 2.139 20 10 CECDRP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000904333753 635577682 /nfs/dbraw/zinc/57/76/82/635577682.db2.gz FMROHGRFYCBPMA-IMJJTQAJSA-N 2 0 290.407 2.111 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000228673616 631213828 /nfs/dbraw/zinc/21/38/28/631213828.db2.gz UWWUTSFDEDZOEJ-UHFFFAOYSA-N 2 0 298.814 2.486 20 10 CECDRP CCCC[C@H](CN)[NH2+]Cc1cccc(OCC)c1O ZINC000841029772 631814392 /nfs/dbraw/zinc/81/43/92/631814392.db2.gz RXTAJJBQILUQEU-CYBMUJFWSA-N 2 0 266.385 2.398 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000841054384 632357374 /nfs/dbraw/zinc/35/73/74/632357374.db2.gz DLDLUIMZFFGNBG-STQMWFEESA-N 2 0 264.369 2.150 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000816649407 633456732 /nfs/dbraw/zinc/45/67/32/633456732.db2.gz YRSYQVJULKDECC-GJZGRUSLSA-N 2 0 273.424 2.279 20 10 CECDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956851 633799795 /nfs/dbraw/zinc/79/97/95/633799795.db2.gz FEAIAAWSZAODIW-GFCCVEGCSA-N 2 0 284.407 2.324 20 10 CECDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817962012 633804814 /nfs/dbraw/zinc/80/48/14/633804814.db2.gz GKGAEOKDJSLNAJ-RKDXNWHRSA-N 2 0 287.201 2.400 20 10 CECDRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)ccc1O ZINC000817964722 633806238 /nfs/dbraw/zinc/80/62/38/633806238.db2.gz GBQHICKFMQOPGN-GFCCVEGCSA-N 2 0 299.212 2.415 20 10 CECDRP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N(C)C)cc1 ZINC000817976892 633819804 /nfs/dbraw/zinc/81/98/04/633819804.db2.gz WMWIPSBYASZLFU-XUWVNRHRSA-N 2 0 259.397 2.011 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000817987592 633828487 /nfs/dbraw/zinc/82/84/87/633828487.db2.gz UNMIOBBGBFSKIH-RFQIPJPRSA-N 2 0 290.407 2.440 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960165 635369784 /nfs/dbraw/zinc/36/97/84/635369784.db2.gz YCWKMMZEKKGISN-INIZCTEOSA-N 2 0 260.381 2.358 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1O ZINC000841029466 639621461 /nfs/dbraw/zinc/62/14/61/639621461.db2.gz HKPGTWAMKAMZJO-GFCCVEGCSA-N 2 0 256.777 2.427 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000841029087 639621525 /nfs/dbraw/zinc/62/15/25/639621525.db2.gz FUYCULKQGLITGC-OCCSQVGLSA-N 2 0 265.376 2.109 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CC([NH3+])(CC)CC)c1 ZINC000841031443 639622967 /nfs/dbraw/zinc/62/29/67/639622967.db2.gz UGPXMPLLXXZWJN-UHFFFAOYSA-N 2 0 266.385 2.398 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]C1 ZINC000841032870 639624878 /nfs/dbraw/zinc/62/48/78/639624878.db2.gz GPABYYXFIZNBHE-DOMZBBRYSA-N 2 0 260.381 2.099 20 10 CECDRP CCN(CC)c1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1F ZINC000841049476 639632052 /nfs/dbraw/zinc/63/20/52/639632052.db2.gz RYPGRGSEPZJLIV-LBPRGKRZSA-N 2 0 267.392 2.356 20 10 CECDRP CCOCc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1OC ZINC000841054734 639634601 /nfs/dbraw/zinc/63/46/01/639634601.db2.gz BWYITTYDTFKTKN-MRXNPFEDSA-N 2 0 292.423 2.463 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(O)c1 ZINC000841054625 639634693 /nfs/dbraw/zinc/63/46/93/639634693.db2.gz FVRRXICRXYJECQ-OLZOCXBDSA-N 2 0 264.369 2.150 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841064675 639639032 /nfs/dbraw/zinc/63/90/32/639639032.db2.gz SMQIQUIHCXLWHV-BXKDBHETSA-N 2 0 299.212 2.242 20 10 CECDRP COc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1O ZINC000843043678 640250127 /nfs/dbraw/zinc/25/01/27/640250127.db2.gz CBVXNOHKSXFYMW-UHFFFAOYSA-N 2 0 276.380 2.117 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000843124394 640290404 /nfs/dbraw/zinc/29/04/04/640290404.db2.gz AARAFWSTSIPDIU-SNAWJCMRSA-N 2 0 259.397 2.187 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125019 640290569 /nfs/dbraw/zinc/29/05/69/640290569.db2.gz LGTUWIRICLHYBS-ZIAGYGMSSA-N 2 0 290.407 2.222 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125016 640290870 /nfs/dbraw/zinc/29/08/70/640290870.db2.gz LGTUWIRICLHYBS-KBPBESRZSA-N 2 0 290.407 2.222 20 10 CECDRP COCC[NH2+]C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000844900523 640860282 /nfs/dbraw/zinc/86/02/82/640860282.db2.gz QHTSJNMLBCPOMX-UHFFFAOYSA-N 2 0 292.423 2.209 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000844903244 640860922 /nfs/dbraw/zinc/86/09/22/640860922.db2.gz VXSDVRMCNWMSPE-YOEHRIQHSA-N 2 0 290.407 2.352 20 10 CECDRP Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000877642250 650830953 /nfs/dbraw/zinc/83/09/53/650830953.db2.gz IIHNYNMMOFYSQS-HNNXBMFYSA-N 2 0 292.423 2.243 20 10 CECDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923291892 643641549 /nfs/dbraw/zinc/64/15/49/643641549.db2.gz TXTLZKRIYZBSER-OAHLLOKOSA-N 2 0 261.413 2.102 20 10 CECDRP CCOc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1O ZINC000853247299 643721135 /nfs/dbraw/zinc/72/11/35/643721135.db2.gz KPRNEKRCAKAOAM-CYBMUJFWSA-N 2 0 266.385 2.254 20 10 CECDRP CCN(C)c1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000774381354 646840596 /nfs/dbraw/zinc/84/05/96/646840596.db2.gz MKILZDSQGOQATD-HNNXBMFYSA-N 2 0 293.455 2.372 20 10 CECDRP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779013277 647282650 /nfs/dbraw/zinc/28/26/50/647282650.db2.gz HCUVQUQVWJHMKZ-UHFFFAOYSA-N 2 0 296.386 2.074 20 10 CECDRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1O ZINC000873293114 649630192 /nfs/dbraw/zinc/63/01/92/649630192.db2.gz XZHPTTMJNWCRHS-UONOGXRCSA-N 2 0 290.407 2.202 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128094210 651363070 /nfs/dbraw/zinc/36/30/70/651363070.db2.gz KPYGUAVDDCEKSU-UONOGXRCSA-N 2 0 276.380 2.117 20 10 CECDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC001118122140 814985684 /nfs/dbraw/zinc/98/56/84/814985684.db2.gz PUSYVMWWCQJUSB-MGPQQGTHSA-N 2 0 290.407 2.217 20 10 CECDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118242040 814997290 /nfs/dbraw/zinc/99/72/90/814997290.db2.gz VAJAKFOPJPQYOE-MRXNPFEDSA-N 2 0 273.424 2.328 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001172110344 815301377 /nfs/dbraw/zinc/30/13/77/815301377.db2.gz MNNHRBIXQKJDGV-ZSOGYDGISA-N 2 0 276.380 2.203 20 10 CECDRP COc1cccc(C[N@H+](C)CCCCCC[NH3+])c1O ZINC000710830556 809995012 /nfs/dbraw/zinc/99/50/12/809995012.db2.gz CIFOBRFVWDHFKM-UHFFFAOYSA-N 2 0 266.385 2.352 20 10 CECDRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1O ZINC000397356401 813614338 /nfs/dbraw/zinc/61/43/38/813614338.db2.gz FQSAVTYNGXIMHO-SCRDCRAPSA-N 2 0 278.396 2.206 20 10 CECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCN4C)C[C@H]2C1 ZINC001138359376 815777740 /nfs/dbraw/zinc/77/77/40/815777740.db2.gz SOHLAAAUEURVFH-QZTJIDSGSA-N 2 0 299.462 2.453 20 10 CECDRP CCOc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1O ZINC000271831136 373203323 /nfs/dbraw/zinc/20/33/23/373203323.db2.gz OVNVHXBWJPIXBY-UHFFFAOYSA-N 2 0 276.380 2.142 20 10 CECDRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000227520966 394473521 /nfs/dbraw/zinc/47/35/21/394473521.db2.gz BWHWGOVPDAKKHX-UHFFFAOYSA-N 2 0 266.360 2.353 20 10 CECDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1O ZINC000183544364 395259119 /nfs/dbraw/zinc/25/91/19/395259119.db2.gz DMNDDVIVQONJHR-AWEZNQCLSA-N 2 0 291.439 2.069 20 10 CECDRP COc1cc(Cl)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1O ZINC000194537368 395440233 /nfs/dbraw/zinc/44/02/33/395440233.db2.gz YYPLHXWWUWJWQE-TXEJJXNPSA-N 2 0 296.798 2.048 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185008591 262037830 /nfs/dbraw/zinc/03/78/30/262037830.db2.gz BQYNPKNTEAQQPM-CYBMUJFWSA-N 2 0 296.411 2.020 20 10 CECDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000742207084 575010570 /nfs/dbraw/zinc/01/05/70/575010570.db2.gz OXKYVENEXZNXQK-CJNGLKHVSA-N 2 0 274.408 2.441 20 10 CECDRP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000817942120 633789628 /nfs/dbraw/zinc/78/96/28/633789628.db2.gz MLTFTXUKFXQRFW-BRWVUGGUSA-N 2 0 290.455 2.002 20 10 CECDRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc2ccccc2c1O ZINC000817964705 633807219 /nfs/dbraw/zinc/80/72/19/633807219.db2.gz FMOVNMNJHRFUDN-NSHDSACASA-N 2 0 256.349 2.415 20 10 CECDRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817968719 633811823 /nfs/dbraw/zinc/81/18/23/633811823.db2.gz WLFIBORXJCDFAC-SNVBAGLBSA-N 2 0 250.317 2.102 20 10 CECDRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000817972404 633815613 /nfs/dbraw/zinc/81/56/13/633815613.db2.gz WVJRJMVXTJUGLR-XEZPLFJOSA-N 2 0 261.413 2.401 20 10 CECDRP COCC1(C[NH2+][C@H](C)c2ccccc2O)CC[NH2+]CC1 ZINC000817974698 633818723 /nfs/dbraw/zinc/81/87/23/633818723.db2.gz NTMLVSULYTUFRX-CYBMUJFWSA-N 2 0 278.396 2.059 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000817976412 633820339 /nfs/dbraw/zinc/82/03/39/633820339.db2.gz LKGVQVYXFNZXPQ-XHDPSFHLSA-N 2 0 276.380 2.194 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(O)c1 ZINC000818431369 633920981 /nfs/dbraw/zinc/92/09/81/633920981.db2.gz JXMSTYXRBAOQHN-ZIAGYGMSSA-N 2 0 264.369 2.150 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC[NH2+]1 ZINC000904356310 635588014 /nfs/dbraw/zinc/58/80/14/635588014.db2.gz VPVSDZWSUMAVKI-DOMZBBRYSA-N 2 0 260.381 2.242 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000904411582 635619561 /nfs/dbraw/zinc/61/95/61/635619561.db2.gz NTAQGLFGESHSMC-UONOGXRCSA-N 2 0 262.397 2.426 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841085706 637397698 /nfs/dbraw/zinc/39/76/98/637397698.db2.gz BCCSQKGMBLNCIT-XJKSGUPXSA-N 2 0 290.407 2.365 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000841032396 639623854 /nfs/dbraw/zinc/62/38/54/639623854.db2.gz BSNODWGIPIUBBH-KGLIPLIRSA-N 2 0 262.397 2.487 20 10 CECDRP Cc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1O ZINC000841032131 639624009 /nfs/dbraw/zinc/62/40/09/639624009.db2.gz MGPFEZSQYCFNRP-UHFFFAOYSA-N 2 0 270.376 2.492 20 10 CECDRP COc1ccc(O)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841031909 639624241 /nfs/dbraw/zinc/62/42/41/639624241.db2.gz BDPAWIMJJTUZSV-UHFFFAOYSA-N 2 0 286.375 2.192 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1O ZINC000841055214 639634058 /nfs/dbraw/zinc/63/40/58/639634058.db2.gz MALFFMGZSUQANF-OLZOCXBDSA-N 2 0 264.369 2.150 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1O ZINC000841055215 639634722 /nfs/dbraw/zinc/63/47/22/639634722.db2.gz MALFFMGZSUQANF-QWHCGFSZSA-N 2 0 264.369 2.150 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000841057507 639635736 /nfs/dbraw/zinc/63/57/36/639635736.db2.gz IXSBHOSIJRPBQB-OICCZTGUSA-N 2 0 273.424 2.498 20 10 CECDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841081068 639649412 /nfs/dbraw/zinc/64/94/12/639649412.db2.gz SORYXISMNLHZGA-LBPRGKRZSA-N 2 0 267.392 2.499 20 10 CECDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841080848 639649631 /nfs/dbraw/zinc/64/96/31/639649631.db2.gz QYHIREBZFCRYQI-NSHDSACASA-N 2 0 253.365 2.109 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000229104925 639676544 /nfs/dbraw/zinc/67/65/44/639676544.db2.gz HYQBRHYMTUHHRU-ZJUUUORDSA-N 2 0 284.787 2.223 20 10 CECDRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1O ZINC000063198138 639840593 /nfs/dbraw/zinc/84/05/93/639840593.db2.gz UURWOJMYOKTTDL-HNNXBMFYSA-N 2 0 290.407 2.365 20 10 CECDRP COc1ccc(O)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197475 639841098 /nfs/dbraw/zinc/84/10/98/639841098.db2.gz VYTCUOUQHJCDSW-INIZCTEOSA-N 2 0 290.407 2.365 20 10 CECDRP Cc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1O ZINC000843044106 640249626 /nfs/dbraw/zinc/24/96/26/640249626.db2.gz SXNZXZBSVDTNGA-UHFFFAOYSA-N 2 0 260.381 2.417 20 10 CECDRP CN(C)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000843043658 640249640 /nfs/dbraw/zinc/24/96/40/640249640.db2.gz AUXIXZWPJUXZPN-UHFFFAOYSA-N 2 0 273.424 2.469 20 10 CECDRP COc1cccc(O)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046427 640251045 /nfs/dbraw/zinc/25/10/45/640251045.db2.gz VRGIRGNYAQRHOZ-HNNXBMFYSA-N 2 0 290.407 2.365 20 10 CECDRP C[NH2+]C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843052085 640254396 /nfs/dbraw/zinc/25/43/96/640254396.db2.gz FZMTYAKJEBDMOK-APHBUQMISA-N 2 0 273.424 2.307 20 10 CECDRP C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000843052798 640256175 /nfs/dbraw/zinc/25/61/75/640256175.db2.gz WJIHVJJPTNKREU-XUOJHOASSA-N 2 0 273.424 2.435 20 10 CECDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058673 640260965 /nfs/dbraw/zinc/26/09/65/640260965.db2.gz VSJXVTDCYSQTPM-DGCLKSJQSA-N 2 0 265.376 2.061 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843117282 640286916 /nfs/dbraw/zinc/28/69/16/640286916.db2.gz OEEOBPKOFLWZPO-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1O ZINC000843124397 640290641 /nfs/dbraw/zinc/29/06/41/640290641.db2.gz AELDGCWDEJLYRL-WBVHZDCISA-N 2 0 290.407 2.029 20 10 CECDRP Cc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1O ZINC000843127694 640294248 /nfs/dbraw/zinc/29/42/48/640294248.db2.gz GMVVUMQDQNIRKO-UHFFFAOYSA-N 2 0 256.349 2.449 20 10 CECDRP COc1cccc(C[NH2+]CCC[N@H+](C)CC(C)C)c1O ZINC000845995302 641147234 /nfs/dbraw/zinc/14/72/34/641147234.db2.gz BRVYKXOZYFCLKJ-UHFFFAOYSA-N 2 0 280.412 2.468 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000846703818 641403708 /nfs/dbraw/zinc/40/37/08/641403708.db2.gz QLINSTAQXHMYMC-UKRRQHHQSA-N 2 0 261.413 2.373 20 10 CECDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000070171807 641642026 /nfs/dbraw/zinc/64/20/26/641642026.db2.gz KMYLCFWXEKEZOZ-ZFWWWQNUSA-N 2 0 261.413 2.312 20 10 CECDRP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877736935 650878578 /nfs/dbraw/zinc/87/85/78/650878578.db2.gz CAGOOHVXLXSCCA-UKRRQHHQSA-N 2 0 260.381 2.227 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000854230784 644019061 /nfs/dbraw/zinc/01/90/61/644019061.db2.gz YHGHXAQLZVEIKV-BXUZGUMPSA-N 2 0 266.385 2.425 20 10 CECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735847 644422014 /nfs/dbraw/zinc/42/20/14/644422014.db2.gz DTEIRLOEXPBPNP-AWEZNQCLSA-N 2 0 292.423 2.483 20 10 CECDRP COc1cc(C)cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000793770991 648796097 /nfs/dbraw/zinc/79/60/97/648796097.db2.gz XRUNLNGLSURWHX-KRWDZBQOSA-N 2 0 290.407 2.237 20 10 CECDRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000872251793 649329246 /nfs/dbraw/zinc/32/92/46/649329246.db2.gz NFUNZXAKGGPRMJ-ZDUSSCGKSA-N 2 0 266.360 2.399 20 10 CECDRP c1cc(N2CCCC2)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC001117953413 809663896 /nfs/dbraw/zinc/66/38/96/809663896.db2.gz GMDTZUMCRKBHBV-INIZCTEOSA-N 2 0 273.424 2.376 20 10 CECDRP CCc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000691524098 812001754 /nfs/dbraw/zinc/00/17/54/812001754.db2.gz RFKJXXXJADWKAJ-CYBMUJFWSA-N 2 0 262.397 2.386 20 10 CECDRP C[N@H+](Cc1cc(Br)ccc1O)C1CC([NH3+])C1 ZINC000395075644 813477476 /nfs/dbraw/zinc/47/74/76/813477476.db2.gz QXEXDWPSANGGLF-UHFFFAOYSA-N 2 0 285.185 2.076 20 10 CECDRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+] ZINC000397304686 813611791 /nfs/dbraw/zinc/61/17/91/813611791.db2.gz GHDXMDMMJZUQEV-MDZLAQPJSA-N 2 0 266.360 2.337 20 10 CECDRP CCC[N@H+](CCC[NH+](C)C)Cc1cc(O)ccc1O ZINC001141161475 816491319 /nfs/dbraw/zinc/49/13/19/816491319.db2.gz FKRQXQQSRHDZFM-UHFFFAOYSA-N 2 0 266.385 2.262 20 10 CECDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069160315 816861258 /nfs/dbraw/zinc/86/12/58/816861258.db2.gz FHTGMFKWMINDTQ-HNNXBMFYSA-N 2 0 274.408 2.443 20 10 CECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2O)C1 ZINC000180550022 368386240 /nfs/dbraw/zinc/38/62/40/368386240.db2.gz TVGIUINRMFJJTQ-AWEZNQCLSA-N 2 0 262.397 2.474 20 10 CECDRP C[C@H](C[NH2+]Cc1cc(F)ccc1O)C[NH+]1CCCC1 ZINC000226585313 370347987 /nfs/dbraw/zinc/34/79/87/370347987.db2.gz FDBZNXMMVIINGR-GFCCVEGCSA-N 2 0 266.360 2.353 20 10 CECDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1O ZINC000374890897 374635555 /nfs/dbraw/zinc/63/55/55/374635555.db2.gz FEXGDYVJEXMTIW-BFYDXBDKSA-N 2 0 290.407 2.076 20 10 CECDRP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000093597858 394667330 /nfs/dbraw/zinc/66/73/30/394667330.db2.gz IQBAQUIOIIGRLG-AWEZNQCLSA-N 2 0 290.407 2.319 20 10 CECDRP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(O)c1 ZINC000293248546 524333457 /nfs/dbraw/zinc/33/34/57/524333457.db2.gz BMPJZVWGLFAQPU-GJZGRUSLSA-N 2 0 292.423 2.116 20 10 CECDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2([NH3+])CC2)c1O ZINC000902408647 634623365 /nfs/dbraw/zinc/62/33/65/634623365.db2.gz ZZOXTDDBJPAWFC-SECBINFHSA-N 2 0 254.761 2.496 20 10 CECDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000236179639 628974840 /nfs/dbraw/zinc/97/48/40/628974840.db2.gz XNLNWSWFIXQOEL-NSHDSACASA-N 2 0 252.333 2.092 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1F ZINC000841058343 632361536 /nfs/dbraw/zinc/36/15/36/632361536.db2.gz VUAKOTULPLKYLN-MRXNPFEDSA-N 2 0 279.403 2.371 20 10 CECDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817900634 633761345 /nfs/dbraw/zinc/76/13/45/633761345.db2.gz PCNBIEYBQFFDSV-IUODEOHRSA-N 2 0 279.403 2.369 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])ccc21 ZINC000817901872 633762758 /nfs/dbraw/zinc/76/27/58/633762758.db2.gz YWHFYHJHDXSUFA-JKSUJKDBSA-N 2 0 273.424 2.286 20 10 CECDRP C[NH2+]CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817939655 633789212 /nfs/dbraw/zinc/78/92/12/633789212.db2.gz HTAMBKMENKUJCX-GXSJLCMTSA-N 2 0 252.333 2.279 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000817941416 633790149 /nfs/dbraw/zinc/79/01/49/633790149.db2.gz QDCMXHNVYJPBRS-NSHDSACASA-N 2 0 264.369 2.051 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000817946130 633793639 /nfs/dbraw/zinc/79/36/39/633793639.db2.gz RZMKOSFYZXUJIB-RYUDHWBXSA-N 2 0 264.369 2.051 20 10 CECDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000817963019 633804494 /nfs/dbraw/zinc/80/44/94/633804494.db2.gz QFUTXYMEFYOXBG-RKDXNWHRSA-N 2 0 287.201 2.400 20 10 CECDRP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)ccc1O ZINC000817965333 633806342 /nfs/dbraw/zinc/80/63/42/633806342.db2.gz OMOWXBYTZPQBHZ-QMMMGPOBSA-N 2 0 285.185 2.025 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970771 633814326 /nfs/dbraw/zinc/81/43/26/633814326.db2.gz DWGUFMMGPJRVTO-SDDRHHMPSA-N 2 0 264.369 2.192 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)ccc1O ZINC000817982235 633825242 /nfs/dbraw/zinc/82/52/42/633825242.db2.gz PRJCKKCOFDHBSZ-HOSYDEDBSA-N 2 0 252.333 2.309 20 10 CECDRP Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000903954871 635389209 /nfs/dbraw/zinc/38/92/09/635389209.db2.gz HMRHYKRBMXCORS-GFCCVEGCSA-N 2 0 270.323 2.035 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978984 635396108 /nfs/dbraw/zinc/39/61/08/635396108.db2.gz QWJOTCORGLQMMR-GDBMZVCRSA-N 2 0 275.440 2.396 20 10 CECDRP c1cc2c(cc1C[NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000904354857 635586971 /nfs/dbraw/zinc/58/69/71/635586971.db2.gz JWUPMGCEUFBMEO-INIZCTEOSA-N 2 0 272.392 2.243 20 10 CECDRP Cc1cccc(O)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876929653 650490583 /nfs/dbraw/zinc/49/05/83/650490583.db2.gz LJZJUTJYFZSXKS-CYBMUJFWSA-N 2 0 260.381 2.275 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000841028520 639621784 /nfs/dbraw/zinc/62/17/84/639621784.db2.gz AKLMIUAEZYZEEJ-BBRMVZONSA-N 2 0 261.413 2.278 20 10 CECDRP C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000841032354 639623779 /nfs/dbraw/zinc/62/37/79/639623779.db2.gz BMMJMXDAOYUVEZ-JSGCOSHPSA-N 2 0 279.403 2.369 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000841056958 639634411 /nfs/dbraw/zinc/63/44/11/639634411.db2.gz GHHHPHFILQXGPU-OLZOCXBDSA-N 2 0 265.376 2.251 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1O ZINC000841057295 639635719 /nfs/dbraw/zinc/63/57/19/639635719.db2.gz IWXCDHQJACVKNB-NEPJUHHUSA-N 2 0 284.787 2.414 20 10 CECDRP CCOCc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1OC ZINC000841064522 639640094 /nfs/dbraw/zinc/64/00/94/639640094.db2.gz HKAKYJYCYFGJQY-UHFFFAOYSA-N 2 0 292.423 2.463 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000841072017 639644028 /nfs/dbraw/zinc/64/40/28/639644028.db2.gz DRRSJGSVWCPXRZ-CQSZACIVSA-N 2 0 278.396 2.413 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(O)c1 ZINC000841079803 639648550 /nfs/dbraw/zinc/64/85/50/639648550.db2.gz OQKACBZQDNEPLT-HNNXBMFYSA-N 2 0 276.380 2.023 20 10 CECDRP CCOc1cccc(C[NH2+]CCCCCC[NH3+])c1O ZINC000843128299 640294294 /nfs/dbraw/zinc/29/42/94/640294294.db2.gz JPWOICPZZWMGHC-UHFFFAOYSA-N 2 0 266.385 2.400 20 10 CECDRP CCOc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1O ZINC000844900688 640860503 /nfs/dbraw/zinc/86/05/03/640860503.db2.gz CQVKFJLZUSLASV-UHFFFAOYSA-N 2 0 264.369 2.010 20 10 CECDRP C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000846698208 641400181 /nfs/dbraw/zinc/40/01/81/641400181.db2.gz CHBNLGIMFDWPGY-WCQYABFASA-N 2 0 265.376 2.203 20 10 CECDRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1O ZINC000252853765 641590332 /nfs/dbraw/zinc/59/03/32/641590332.db2.gz JIJQCWKKEAFYER-QEJZJMRPSA-N 2 0 290.407 2.350 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252861334 641591753 /nfs/dbraw/zinc/59/17/53/641591753.db2.gz NLZNUUCMCVIGPL-XIRDDKMYSA-N 2 0 273.424 2.312 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC000923330652 643661357 /nfs/dbraw/zinc/66/13/57/643661357.db2.gz BVDUALNLVMQQCG-KRWDZBQOSA-N 2 0 273.424 2.246 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000854222656 644014908 /nfs/dbraw/zinc/01/49/08/644014908.db2.gz JLPAVCHXYNWXOH-NSHDSACASA-N 2 0 264.369 2.323 20 10 CECDRP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c(O)c1C ZINC000863542536 646751571 /nfs/dbraw/zinc/75/15/71/646751571.db2.gz WJIXGMJTTKXDDB-ZDUSSCGKSA-N 2 0 278.396 2.168 20 10 CECDRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cc(Cl)ccc1O ZINC000863544256 646752899 /nfs/dbraw/zinc/75/28/99/646752899.db2.gz OQBNZTRDCPEIHN-CYBMUJFWSA-N 2 0 286.803 2.322 20 10 CECDRP CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122381701 648332961 /nfs/dbraw/zinc/33/29/61/648332961.db2.gz RCVWGVLGYSHSSQ-HOCLYGCPSA-N 2 0 261.413 2.312 20 10 CECDRP CC(C)=CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790996350 648470140 /nfs/dbraw/zinc/47/01/40/648470140.db2.gz NWBZVSRCAAJEMJ-UHFFFAOYSA-N 2 0 273.424 2.494 20 10 CECDRP Cc1c(O)ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1O ZINC001140741798 803511695 /nfs/dbraw/zinc/51/16/95/803511695.db2.gz CEQVNACZSWIYML-UHFFFAOYSA-N 2 0 299.374 2.123 20 10 CECDRP C[NH+]1CCN(c2ccc(C3=C[NH2+]CCC3)cc2)CC1 ZINC001243949281 812598321 /nfs/dbraw/zinc/59/83/21/812598321.db2.gz DYCFVGZCFJRMSQ-UHFFFAOYSA-N 2 0 257.381 2.163 20 10 CECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3c(C)ccc(C)c3O)C[C@H]2C1 ZINC001140184752 816205422 /nfs/dbraw/zinc/20/54/22/816205422.db2.gz GXHYJSRMKNSKDW-HUUCEWRRSA-N 2 0 274.408 2.393 20 10 CECDRP Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001140958300 816425956 /nfs/dbraw/zinc/42/59/56/816425956.db2.gz XFAMKIWJUGBNBQ-GDBMZVCRSA-N 2 0 260.381 2.084 20 10 CECDRP Cc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000179733801 368348937 /nfs/dbraw/zinc/34/89/37/368348937.db2.gz MGMQVVOQXHZAIE-AWEZNQCLSA-N 2 0 262.397 2.474 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CC2=CC[N@H+](C)CC2)c1O ZINC000273792684 373770707 /nfs/dbraw/zinc/77/07/07/373770707.db2.gz VOXGUCKZHWWUFU-UHFFFAOYSA-N 2 0 296.798 2.406 20 10 CECDRP Oc1ccc(F)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371529025 373912459 /nfs/dbraw/zinc/91/24/59/373912459.db2.gz PPKACNFRBXHLQR-KBMXLJTQSA-N 2 0 290.382 2.447 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292752730 395204127 /nfs/dbraw/zinc/20/41/27/395204127.db2.gz IPVDHQDPPHVIQZ-INIZCTEOSA-N 2 0 260.381 2.228 20 10 CECDRP COc1ccc(O)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000020128897 524750041 /nfs/dbraw/zinc/75/00/41/524750041.db2.gz QJJJCANENFOPQQ-UHFFFAOYSA-N 2 0 278.396 2.366 20 10 CECDRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000925774968 628791112 /nfs/dbraw/zinc/79/11/12/628791112.db2.gz BATYDBIBDCQGTI-WDEREUQCSA-N 2 0 270.323 2.288 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+](C)CCC[NH+](C)C ZINC000840946332 628820905 /nfs/dbraw/zinc/82/09/05/628820905.db2.gz OBEYKMPZJIHKHG-UHFFFAOYSA-N 2 0 263.429 2.445 20 10 CECDRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)ccc1O ZINC000902485737 634702757 /nfs/dbraw/zinc/70/27/57/634702757.db2.gz NGOOHSYVFPYOHA-QXEWZRGKSA-N 2 0 254.761 2.434 20 10 CECDRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)ccc1O ZINC000902485736 634703025 /nfs/dbraw/zinc/70/30/25/634703025.db2.gz NGOOHSYVFPYOHA-FXPVBKGRSA-N 2 0 254.761 2.434 20 10 CECDRP COc1cc(C)cc(C[NH2+]CCCn2ccnc2)c1O ZINC000894145116 629168231 /nfs/dbraw/zinc/16/82/31/629168231.db2.gz HKHHAVKHUBEPMB-UHFFFAOYSA-N 2 0 275.352 2.086 20 10 CECDRP CCN(CC)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000841026680 631807052 /nfs/dbraw/zinc/80/70/52/631807052.db2.gz OXRRAIINJLVZPO-UHFFFAOYSA-N 2 0 261.413 2.374 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000841062080 632364283 /nfs/dbraw/zinc/36/42/83/632364283.db2.gz SKESUYVWEXOPMS-CZUORRHYSA-N 2 0 292.423 2.462 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]C2(C)CC[NH2+]CC2)c1O ZINC000841065977 632424150 /nfs/dbraw/zinc/42/41/50/632424150.db2.gz VSAOOLBFGAPBLQ-UHFFFAOYSA-N 2 0 284.787 2.286 20 10 CECDRP Cc1cc(C)c([C@@H](C)[NH2+]CCOCC[NH+](C)C)c(O)c1 ZINC000815619712 633040044 /nfs/dbraw/zinc/04/00/44/633040044.db2.gz WALKUCXZCWCQSX-CQSZACIVSA-N 2 0 280.412 2.238 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000817903122 633763657 /nfs/dbraw/zinc/76/36/57/633763657.db2.gz IEQYHOHPEDOJBT-IRXDYDNUSA-N 2 0 289.423 2.133 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000817903504 633764323 /nfs/dbraw/zinc/76/43/23/633764323.db2.gz QBESFDDPOUIGSD-UONOGXRCSA-N 2 0 291.439 2.379 20 10 CECDRP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817934689 633786782 /nfs/dbraw/zinc/78/67/82/633786782.db2.gz MYZZEFWILOVWBD-UONOGXRCSA-N 2 0 275.440 2.190 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000817946128 633793261 /nfs/dbraw/zinc/79/32/61/633793261.db2.gz RZMKOSFYZXUJIB-NWDGAFQWSA-N 2 0 264.369 2.051 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000817946132 633793444 /nfs/dbraw/zinc/79/34/44/633793444.db2.gz RZMKOSFYZXUJIB-VXGBXAGGSA-N 2 0 264.369 2.051 20 10 CECDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H]2CCC[C@@H]21 ZINC000817957712 633799995 /nfs/dbraw/zinc/79/99/95/633799995.db2.gz OMYBXRIVUXEZSS-IKGGRYGDSA-N 2 0 273.424 2.274 20 10 CECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1O ZINC000817972965 633816275 /nfs/dbraw/zinc/81/62/75/633816275.db2.gz QOSBBBDICBZVED-DTWKUNHWSA-N 2 0 287.201 2.461 20 10 CECDRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)ccc1O ZINC000817977858 633821203 /nfs/dbraw/zinc/82/12/03/633821203.db2.gz QTOTUGNFDGUUPP-UVRHIYEWSA-N 2 0 297.196 2.023 20 10 CECDRP C[NH+](C)CCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411707 633965253 /nfs/dbraw/zinc/96/52/53/633965253.db2.gz KDNKWKGSGYTJPJ-UHFFFAOYSA-N 2 0 287.201 2.196 20 10 CECDRP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955543 635389545 /nfs/dbraw/zinc/38/95/45/635389545.db2.gz UZWVTMZRDWGEEQ-LBPRGKRZSA-N 2 0 270.323 2.035 20 10 CECDRP Cc1cccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1O ZINC000904390530 635599178 /nfs/dbraw/zinc/59/91/78/635599178.db2.gz AQNVXDBHDOONGG-HNNXBMFYSA-N 2 0 290.407 2.030 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000904406754 635614108 /nfs/dbraw/zinc/61/41/08/635614108.db2.gz VPRWPFANIRHMFS-LBPRGKRZSA-N 2 0 265.376 2.062 20 10 CECDRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4c(cc3O)CCC4)C[C@]2(C)C1 ZINC000904435629 635630119 /nfs/dbraw/zinc/63/01/19/635630119.db2.gz CHUDANRMYZWROF-AEFFLSMTSA-N 2 0 286.419 2.264 20 10 CECDRP CN(CC[NH2+]C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000841011712 639617214 /nfs/dbraw/zinc/61/72/14/639617214.db2.gz NSLBDIBOTDYRMP-UHFFFAOYSA-N 2 0 293.455 2.451 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000841033546 639625583 /nfs/dbraw/zinc/62/55/83/639625583.db2.gz UYOFIFLKIOXFNT-WMHVBEDNSA-N 2 0 273.424 2.355 20 10 CECDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841071794 639643479 /nfs/dbraw/zinc/64/34/79/639643479.db2.gz BNVAHEAMWCZNME-ZDUSSCGKSA-N 2 0 252.333 2.009 20 10 CECDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841073155 639643998 /nfs/dbraw/zinc/64/39/98/639643998.db2.gz RCOHOXAJTXBQEF-HNNXBMFYSA-N 2 0 260.381 2.099 20 10 CECDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000843058496 640261884 /nfs/dbraw/zinc/26/18/84/640261884.db2.gz URQCBZFGUSWZJZ-AAEUAGOBSA-N 2 0 265.376 2.061 20 10 CECDRP CCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(O)c1 ZINC000843107503 640283042 /nfs/dbraw/zinc/28/30/42/640283042.db2.gz QOJSWCDOBFGTSK-UHFFFAOYSA-N 2 0 264.369 2.150 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000843113606 640285389 /nfs/dbraw/zinc/28/53/89/640285389.db2.gz YMNRZWZEMCHKPY-ZDUSSCGKSA-N 2 0 279.403 2.453 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843124132 640290588 /nfs/dbraw/zinc/29/05/88/640290588.db2.gz VGIWQYQSFGMFGC-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843124130 640290851 /nfs/dbraw/zinc/29/08/51/640290851.db2.gz VGIWQYQSFGMFGC-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000843122381 640291323 /nfs/dbraw/zinc/29/13/23/640291323.db2.gz BVNBLXMASIMKOM-AWEZNQCLSA-N 2 0 278.396 2.494 20 10 CECDRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc2c1OCC2 ZINC000843341596 640394985 /nfs/dbraw/zinc/39/49/85/640394985.db2.gz VSBSIHJELQFTLA-HRCADAONSA-N 2 0 272.392 2.099 20 10 CECDRP COc1ccc(N(C)CCN(C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000844902927 640860877 /nfs/dbraw/zinc/86/08/77/640860877.db2.gz XXOOIMPJBQBAHM-HNNXBMFYSA-N 2 0 293.455 2.437 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](F)C3)cc2)CC1 ZINC000846121384 641193324 /nfs/dbraw/zinc/19/33/24/641193324.db2.gz YYZCTDUYBZNJOT-INIZCTEOSA-N 2 0 291.414 2.372 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846142286 641199092 /nfs/dbraw/zinc/19/90/92/641199092.db2.gz ZVKIHDFJTONYLT-OLZOCXBDSA-N 2 0 278.396 2.393 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000846147745 641201781 /nfs/dbraw/zinc/20/17/81/641201781.db2.gz VIPDQCYIWSDLIL-CHWSQXEVSA-N 2 0 278.396 2.393 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000070148530 641635071 /nfs/dbraw/zinc/63/50/71/641635071.db2.gz JELFXUZHZQUUNX-AWEZNQCLSA-N 2 0 278.396 2.494 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000849350087 642340725 /nfs/dbraw/zinc/34/07/25/642340725.db2.gz JYLAFEXLORFWMK-ZNMIVQPWSA-N 2 0 289.423 2.133 20 10 CECDRP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)ccc1N(C)C ZINC000923423618 643704304 /nfs/dbraw/zinc/70/43/04/643704304.db2.gz YBCHCOISJFJVRY-CABCVRRESA-N 2 0 261.413 2.276 20 10 CECDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000126797238 650946539 /nfs/dbraw/zinc/94/65/39/650946539.db2.gz XRVWDFNPFVPVKY-UWVGGRQHSA-N 2 0 254.761 2.215 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1C ZINC000857226760 644859902 /nfs/dbraw/zinc/85/99/02/644859902.db2.gz YWDFBBPBNKHWFB-ZBFHGGJFSA-N 2 0 260.381 2.322 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C)ccc1O ZINC000757945814 644861613 /nfs/dbraw/zinc/86/16/13/644861613.db2.gz IEPORENQBOBLCX-UHFFFAOYSA-N 2 0 280.412 2.149 20 10 CECDRP COc1cccc(O)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000768303532 646106645 /nfs/dbraw/zinc/10/66/45/646106645.db2.gz PZHWZBLHHYRMHH-UHFFFAOYSA-N 2 0 278.396 2.174 20 10 CECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768464820 646127790 /nfs/dbraw/zinc/12/77/90/646127790.db2.gz AVMWVOFWJCWSNE-AWEZNQCLSA-N 2 0 292.423 2.483 20 10 CECDRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Cl)ccc1O ZINC000863540602 646751203 /nfs/dbraw/zinc/75/12/03/646751203.db2.gz GUFBEZTUQWIJTN-SNVBAGLBSA-N 2 0 284.787 2.204 20 10 CECDRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000774375415 646839695 /nfs/dbraw/zinc/83/96/95/646839695.db2.gz AHKRINHXICHMGU-QGZVFWFLSA-N 2 0 293.455 2.372 20 10 CECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000775703563 646982761 /nfs/dbraw/zinc/98/27/61/646982761.db2.gz SVJMJFFJWORPLY-UHFFFAOYSA-N 2 0 273.424 2.423 20 10 CECDRP COCCC1([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000873223845 649597908 /nfs/dbraw/zinc/59/79/08/649597908.db2.gz UMQUHSUIBMRUGJ-UHFFFAOYSA-N 2 0 291.439 2.001 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2c1c(F)ccc2O ZINC000873250448 649609554 /nfs/dbraw/zinc/60/95/54/649609554.db2.gz HRGDXMLYXKFHRT-UXCLJVHYSA-N 2 0 264.344 2.407 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130590356 652291791 /nfs/dbraw/zinc/29/17/91/652291791.db2.gz SPCVDHPUDCHZKK-CFVMTHIKSA-N 2 0 260.381 2.260 20 10 CECDRP CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC001205141097 807789956 /nfs/dbraw/zinc/78/99/56/807789956.db2.gz VTRYZXFJILYZSG-DZGCQCFKSA-N 2 0 291.439 2.265 20 10 CECDRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000381742124 810864793 /nfs/dbraw/zinc/86/47/93/810864793.db2.gz PIOZBCPDFONMRL-TZMCWYRMSA-N 2 0 260.381 2.311 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1O ZINC000697925925 814654083 /nfs/dbraw/zinc/65/40/83/814654083.db2.gz FXDSCIPOVUDLJT-SNVBAGLBSA-N 2 0 286.803 2.484 20 10 CECDRP CC[N@H+](Cc1cc(F)ccc1O)C1CCN(C)CC1 ZINC001140055662 816179553 /nfs/dbraw/zinc/17/95/53/816179553.db2.gz OMJUCYQJDTXTCL-UHFFFAOYSA-N 2 0 266.360 2.447 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179630687 368345192 /nfs/dbraw/zinc/34/51/92/368345192.db2.gz LYPXFPAXZXZBBF-OAHLLOKOSA-N 2 0 261.413 2.136 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271817410 373204709 /nfs/dbraw/zinc/20/47/09/373204709.db2.gz MDPWPMBWHKMLEK-UHFFFAOYSA-N 2 0 276.380 2.142 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228671424 394476579 /nfs/dbraw/zinc/47/65/79/394476579.db2.gz IVZQNPBEIDZPOI-NSHDSACASA-N 2 0 298.814 2.486 20 10 CECDRP CC(C)[NH+]1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042879549 519673103 /nfs/dbraw/zinc/67/31/03/519673103.db2.gz NSDLRVYVOMAYJS-UHFFFAOYSA-N 2 0 292.379 2.083 20 10 CECDRP C[NH2+]CCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000234369008 623943980 /nfs/dbraw/zinc/94/39/80/623943980.db2.gz VIKPZVQNVDWXOH-UHFFFAOYSA-N 2 0 287.201 2.196 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902519210 634712347 /nfs/dbraw/zinc/71/23/47/634712347.db2.gz XYWGMOCLUSVOQX-VBQJREDUSA-N 2 0 292.471 2.071 20 10 CECDRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000796526919 629924701 /nfs/dbraw/zinc/92/47/01/629924701.db2.gz SHDBCHKSKZFBRJ-RHSMWYFYSA-N 2 0 273.424 2.327 20 10 CECDRP CCSCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895608218 630272517 /nfs/dbraw/zinc/27/25/17/630272517.db2.gz ZMHRGCFQPYWWJP-UHFFFAOYSA-N 2 0 293.480 2.281 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC(C4CC4)C3)cc2)CC1 ZINC000812775236 632575036 /nfs/dbraw/zinc/57/50/36/632575036.db2.gz JVTBBRIGTXYGQL-UHFFFAOYSA-N 2 0 285.435 2.280 20 10 CECDRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000817939332 633788794 /nfs/dbraw/zinc/78/87/94/633788794.db2.gz CTHXWOBYAPSCLW-ZDUSSCGKSA-N 2 0 261.413 2.403 20 10 CECDRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946164 633793559 /nfs/dbraw/zinc/79/35/59/633793559.db2.gz SRKYJKAKMOZYEQ-ZIAGYGMSSA-N 2 0 261.413 2.403 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2c1c(F)ccc2O ZINC000817982505 633824993 /nfs/dbraw/zinc/82/49/93/633824993.db2.gz UFNNYIZWZVEVQT-NQBHXWOUSA-N 2 0 294.370 2.048 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000817984056 633827458 /nfs/dbraw/zinc/82/74/58/633827458.db2.gz MIENOLUGSGLTKP-LLVKDONJSA-N 2 0 264.369 2.194 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000817984920 633827766 /nfs/dbraw/zinc/82/77/66/633827766.db2.gz CCMDRRRGCICXAS-CQSZACIVSA-N 2 0 258.365 2.279 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000817984919 633828560 /nfs/dbraw/zinc/82/85/60/633828560.db2.gz CCMDRRRGCICXAS-AWEZNQCLSA-N 2 0 258.365 2.279 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC4(CC4)C3)cc2)CC1 ZINC000824533722 635444913 /nfs/dbraw/zinc/44/49/13/635444913.db2.gz KZGLQWYBLLBESD-UHFFFAOYSA-N 2 0 271.408 2.034 20 10 CECDRP CC/C=C/C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824701980 635480799 /nfs/dbraw/zinc/48/07/99/635480799.db2.gz FMVXXJNGHSOYJQ-SNAWJCMRSA-N 2 0 273.424 2.494 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+][C@H]1CCn3ccnc3C1)CC2 ZINC000834773553 637947366 /nfs/dbraw/zinc/94/73/66/637947366.db2.gz GUVVNMXSTVWCBF-STQMWFEESA-N 2 0 269.348 2.181 20 10 CECDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@H](C)C1 ZINC000841035388 639627634 /nfs/dbraw/zinc/62/76/34/639627634.db2.gz NJKNHNHOAULTKW-CZUORRHYSA-N 2 0 261.413 2.131 20 10 CECDRP CCOc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(O)c1 ZINC000841056149 639634824 /nfs/dbraw/zinc/63/48/24/639634824.db2.gz CXPDPGOYMRGWIW-MRXNPFEDSA-N 2 0 278.396 2.270 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841063992 639639966 /nfs/dbraw/zinc/63/99/66/639639966.db2.gz NRNTYMKQLCJRHJ-AYUWKEHRSA-N 2 0 273.424 2.353 20 10 CECDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841073302 639643503 /nfs/dbraw/zinc/64/35/03/639643503.db2.gz RCOHOXAJTXBQEF-OAHLLOKOSA-N 2 0 260.381 2.099 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841099572 639665319 /nfs/dbraw/zinc/66/53/19/639665319.db2.gz MEQGGSQAESGADI-CZUORRHYSA-N 2 0 275.440 2.478 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c1 ZINC000843044982 640249670 /nfs/dbraw/zinc/24/96/70/640249670.db2.gz OPJPWRYAMLMMRF-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP COc1cc(Cl)cc(C[N@H+](C)C2CC[NH2+]CC2)c1O ZINC000843045077 640250097 /nfs/dbraw/zinc/25/00/97/640250097.db2.gz HPLZNCTVOYSOEK-UHFFFAOYSA-N 2 0 284.787 2.238 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000843047839 640252935 /nfs/dbraw/zinc/25/29/35/640252935.db2.gz YKQPPXRWWXIYGR-LLCTXKFZSA-N 2 0 273.424 2.437 20 10 CECDRP CCOc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(O)c1 ZINC000843051701 640255350 /nfs/dbraw/zinc/25/53/50/640255350.db2.gz CERAOXZKUQPFJK-LBPRGKRZSA-N 2 0 278.396 2.350 20 10 CECDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052445 640256265 /nfs/dbraw/zinc/25/62/65/640256265.db2.gz UEPDNEDXDGHJQW-GXTWGEPZSA-N 2 0 279.403 2.451 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843052484 640256652 /nfs/dbraw/zinc/25/66/52/640256652.db2.gz UPLZZGXAVSBEBT-CJNGLKHVSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000843058499 640260958 /nfs/dbraw/zinc/26/09/58/640260958.db2.gz URQCBZFGUSWZJZ-YPMHNXCESA-N 2 0 265.376 2.061 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843113993 640285629 /nfs/dbraw/zinc/28/56/29/640285629.db2.gz FFWARKBJCWQSNK-MRXNPFEDSA-N 2 0 261.413 2.232 20 10 CECDRP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)cc1O ZINC000877527113 650768230 /nfs/dbraw/zinc/76/82/30/650768230.db2.gz MHTCDBCQIWZTOH-UHFFFAOYSA-N 2 0 250.386 2.474 20 10 CECDRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1O ZINC000850500085 642734224 /nfs/dbraw/zinc/73/42/24/642734224.db2.gz COKDJGZNNXUNAC-LSDHHAIUSA-N 2 0 293.455 2.315 20 10 CECDRP Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923414073 643702279 /nfs/dbraw/zinc/70/22/79/643702279.db2.gz ZPBKKDYMNORIRS-ZFWWWQNUSA-N 2 0 261.413 2.088 20 10 CECDRP CN(C)c1ccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000843059155 644791563 /nfs/dbraw/zinc/79/15/63/644791563.db2.gz DXAXAOCFMKFDEN-MRXNPFEDSA-N 2 0 261.413 2.184 20 10 CECDRP CCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648252 646976261 /nfs/dbraw/zinc/97/62/61/646976261.db2.gz RJRUJQOSOMIMKI-UHFFFAOYSA-N 2 0 261.413 2.280 20 10 CECDRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000872252513 649329126 /nfs/dbraw/zinc/32/91/26/649329126.db2.gz RZZBOYMGNUFSAC-HNNXBMFYSA-N 2 0 274.408 2.489 20 10 CECDRP COc1cc(C)cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000872725541 649469734 /nfs/dbraw/zinc/46/97/34/649469734.db2.gz UDNYXLWWAJTPSP-UKRRQHHQSA-N 2 0 290.407 2.235 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC[NH2+]CC1 ZINC000873221104 649595621 /nfs/dbraw/zinc/59/56/21/649595621.db2.gz LBVMYXLJWIKVFZ-GFCCVEGCSA-N 2 0 279.403 2.369 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873221555 649596280 /nfs/dbraw/zinc/59/62/80/649596280.db2.gz WWWBENKRXWOHLY-GFCCVEGCSA-N 2 0 278.396 2.269 20 10 CECDRP Cc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(Cl)c1 ZINC000873228369 649599309 /nfs/dbraw/zinc/59/93/09/649599309.db2.gz DIAHXFWXQJXJMX-XHDPSFHLSA-N 2 0 280.799 2.395 20 10 CECDRP COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117785 807706411 /nfs/dbraw/zinc/70/64/11/807706411.db2.gz VMSQJCQPUKRJSR-AWEZNQCLSA-N 2 0 277.412 2.074 20 10 CECDRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205124521 807722669 /nfs/dbraw/zinc/72/26/69/807722669.db2.gz UAXZVPLILHJENN-LBPRGKRZSA-N 2 0 264.369 2.022 20 10 CECDRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000700787820 809348678 /nfs/dbraw/zinc/34/86/78/809348678.db2.gz NSHYAQPZHATIFH-LBPRGKRZSA-N 2 0 266.360 2.353 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001172112962 815300177 /nfs/dbraw/zinc/30/01/77/815300177.db2.gz BDEDRNRWFONLRP-BTTYYORXSA-N 2 0 276.380 2.203 20 10 CECDRP COCCC[NH+]1CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC001172253120 815360984 /nfs/dbraw/zinc/36/09/84/815360984.db2.gz CNXGMOLGHTUHJL-UHFFFAOYSA-N 2 0 292.423 2.325 20 10 CECDRP Nc1ccc(C[NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246168512 813718081 /nfs/dbraw/zinc/71/80/81/813718081.db2.gz FHXUPFPDCSIBLI-HZPDHXFCSA-N 2 0 259.397 2.281 20 10 CECDRP CC[NH+](CC)CC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001255946203 814026733 /nfs/dbraw/zinc/02/67/33/814026733.db2.gz SCAWNFCTKVVQCW-LBPRGKRZSA-N 2 0 296.411 2.056 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CF)cc2)CC1 ZINC001139411602 816019528 /nfs/dbraw/zinc/01/95/28/816019528.db2.gz UZNUBDIWZGIWHX-QGZVFWFLSA-N 2 0 291.414 2.372 20 10 CECDRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140058729 816180720 /nfs/dbraw/zinc/18/07/20/816180720.db2.gz JRQHFXAFNJJCLE-UHFFFAOYSA-N 2 0 264.344 2.059 20 10 CECDRP Cc1cccc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)c1O ZINC000272625514 373587848 /nfs/dbraw/zinc/58/78/48/373587848.db2.gz MKGITCYIMNWNSH-UKRRQHHQSA-N 2 0 260.381 2.227 20 10 CECDRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2O)C1 ZINC000290565329 328259422 /nfs/dbraw/zinc/25/94/22/328259422.db2.gz SQNQZWXDSZRNDV-UKRRQHHQSA-N 2 0 260.381 2.308 20 10 CECDRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C)cc1O ZINC000280117726 522627738 /nfs/dbraw/zinc/62/77/38/522627738.db2.gz OCLLFHRNMZWVNN-HOCLYGCPSA-N 2 0 292.423 2.198 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277289804 524739646 /nfs/dbraw/zinc/73/96/46/524739646.db2.gz AOEQITXWHDQBDS-CQSZACIVSA-N 2 0 278.396 2.317 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925796987 628841897 /nfs/dbraw/zinc/84/18/97/628841897.db2.gz MPTASUSMJQMRNY-JHJVBQTASA-N 2 0 278.396 2.297 20 10 CECDRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C)cc1O ZINC000794814586 629327918 /nfs/dbraw/zinc/32/79/18/629327918.db2.gz MEKBXEWYWLCNSW-OAHLLOKOSA-N 2 0 280.412 2.320 20 10 CECDRP C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163436876 631575192 /nfs/dbraw/zinc/57/51/92/631575192.db2.gz YVVYBSYCBBGLND-ZFWWWQNUSA-N 2 0 261.413 2.169 20 10 CECDRP CCOc1ccc(CN(C)C2(C[NH3+])CCC2)c(O)c1 ZINC000843125446 631737319 /nfs/dbraw/zinc/73/73/19/631737319.db2.gz WQTLYRJXAPJEOQ-UHFFFAOYSA-N 2 0 264.369 2.104 20 10 CECDRP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033222 631821694 /nfs/dbraw/zinc/82/16/94/631821694.db2.gz PZSYTOZXTLZNMK-SNVBAGLBSA-N 2 0 299.212 2.244 20 10 CECDRP Oc1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc2ccccc21 ZINC000816522373 633407640 /nfs/dbraw/zinc/40/76/40/633407640.db2.gz WCDHJCHOOZGXMI-HUUCEWRRSA-N 2 0 268.360 2.197 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817891452 633752682 /nfs/dbraw/zinc/75/26/82/633752682.db2.gz KLWQLXVBCOAMGD-ZNMIVQPWSA-N 2 0 291.439 2.300 20 10 CECDRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817954683 633798709 /nfs/dbraw/zinc/79/87/09/633798709.db2.gz HAUITVBGSCROBM-UONOGXRCSA-N 2 0 261.413 2.403 20 10 CECDRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817955522 633799689 /nfs/dbraw/zinc/79/96/89/633799689.db2.gz XXENGAUMTSPKMV-WDEREUQCSA-N 2 0 252.333 2.182 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000817970848 633813847 /nfs/dbraw/zinc/81/38/47/633813847.db2.gz GFJAMLSQVWPGJY-SUNKGSAMSA-N 2 0 264.369 2.049 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1O ZINC000817987075 633827935 /nfs/dbraw/zinc/82/79/35/633827935.db2.gz PSMWJLOSEOHKEF-RFQIPJPRSA-N 2 0 260.381 2.431 20 10 CECDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903422620 635123206 /nfs/dbraw/zinc/12/32/06/635123206.db2.gz GRENPDKCHQZZTL-HIFRSBDPSA-N 2 0 259.397 2.025 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088527 637696644 /nfs/dbraw/zinc/69/66/44/637696644.db2.gz YWKVVVPXWFGMFB-SWLSCSKDSA-N 2 0 278.371 2.495 20 10 CECDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089344 637709780 /nfs/dbraw/zinc/70/97/80/637709780.db2.gz LSRRSKGCXFBFHZ-CQSZACIVSA-N 2 0 260.381 2.465 20 10 CECDRP CN(C)c1ccc(/C=C/CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000835055176 638040538 /nfs/dbraw/zinc/04/05/38/638040538.db2.gz WFFIVMFQOVURJY-PSUYNTKASA-N 2 0 285.435 2.259 20 10 CECDRP COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000841028525 639621145 /nfs/dbraw/zinc/62/11/45/639621145.db2.gz ASFFIYTUAGYKFB-DGCLKSJQSA-N 2 0 294.395 2.017 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000841066175 639640457 /nfs/dbraw/zinc/64/04/57/639640457.db2.gz WYMVSNPLONWZEI-PLNGDYQASA-N 2 0 273.424 2.498 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1O ZINC000841080014 639648096 /nfs/dbraw/zinc/64/80/96/639648096.db2.gz MTUUUEUTULQEJO-NSHDSACASA-N 2 0 252.358 2.008 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841078741 639648217 /nfs/dbraw/zinc/64/82/17/639648217.db2.gz JPMROXMIXAZOQP-CYBMUJFWSA-N 2 0 266.772 2.277 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000841084100 639650549 /nfs/dbraw/zinc/65/05/49/639650549.db2.gz GDRVTPDGTSDTMZ-YPMHNXCESA-N 2 0 264.369 2.008 20 10 CECDRP Cc1cccc(O)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000877042036 650544476 /nfs/dbraw/zinc/54/44/76/650544476.db2.gz RXBUACGGMCPPKA-HNNXBMFYSA-N 2 0 292.423 2.027 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000843047706 640252184 /nfs/dbraw/zinc/25/21/84/640252184.db2.gz WYMWSGRAMPNWSX-ONEGZZNKSA-N 2 0 273.424 2.437 20 10 CECDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000843052532 640256377 /nfs/dbraw/zinc/25/63/77/640256377.db2.gz NBZDGSDMIGPOKU-LBPRGKRZSA-N 2 0 279.403 2.451 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000843053621 640256719 /nfs/dbraw/zinc/25/67/19/640256719.db2.gz OXNQUOXCSBFAHT-DOMZBBRYSA-N 2 0 278.396 2.350 20 10 CECDRP COc1cccc(O)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000843056615 640259014 /nfs/dbraw/zinc/25/90/14/640259014.db2.gz SQQYSDDGMNSTKO-CYBMUJFWSA-N 2 0 266.385 2.206 20 10 CECDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058675 640261544 /nfs/dbraw/zinc/26/15/44/640261544.db2.gz VSJXVTDCYSQTPM-YPMHNXCESA-N 2 0 265.376 2.061 20 10 CECDRP COc1ccc(N2CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000849350321 642340951 /nfs/dbraw/zinc/34/09/51/642340951.db2.gz NPABNJXOCIWEJP-LSDHHAIUSA-N 2 0 291.439 2.237 20 10 CECDRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)ccc1N(C)C ZINC000923423622 643703908 /nfs/dbraw/zinc/70/39/08/643703908.db2.gz YBCHCOISJFJVRY-GJZGRUSLSA-N 2 0 261.413 2.276 20 10 CECDRP CCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000923424897 643704192 /nfs/dbraw/zinc/70/41/92/643704192.db2.gz IHJMGQWIZNUBFQ-HNNXBMFYSA-N 2 0 261.413 2.245 20 10 CECDRP Cc1cc(O)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1C ZINC000853247707 643721078 /nfs/dbraw/zinc/72/10/78/643721078.db2.gz YLXZRTSUBSXLTK-CQSZACIVSA-N 2 0 250.386 2.472 20 10 CECDRP C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000854226653 644016469 /nfs/dbraw/zinc/01/64/69/644016469.db2.gz JOOFCZGMFLXSNX-VEAWUBTESA-N 2 0 259.397 2.155 20 10 CECDRP C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)c2c1c(F)ccc2O ZINC000854226027 644016653 /nfs/dbraw/zinc/01/66/53/644016653.db2.gz CSGCLXNSQWUXAX-CEHVMXRASA-N 2 0 276.355 2.421 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877742884 650888039 /nfs/dbraw/zinc/88/80/39/650888039.db2.gz GWAAMDLFVFAYKH-ZFWWWQNUSA-N 2 0 260.381 2.227 20 10 CECDRP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)cc1C ZINC000768444723 646123690 /nfs/dbraw/zinc/12/36/90/646123690.db2.gz BQJSRIWWOBJDFB-ZDUSSCGKSA-N 2 0 278.396 2.093 20 10 CECDRP CC(C)[C@@H](C[NH3+])CN1CCCc2cc(C[NH3+])ccc21 ZINC000873202339 649586827 /nfs/dbraw/zinc/58/68/27/649586827.db2.gz XMTMFJDMNVPDDU-HNNXBMFYSA-N 2 0 261.413 2.129 20 10 CECDRP Cc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873226991 649598286 /nfs/dbraw/zinc/59/82/86/649598286.db2.gz ARJDALFQCSUXBY-RYUDHWBXSA-N 2 0 288.313 2.270 20 10 CECDRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1O ZINC000873293113 649630201 /nfs/dbraw/zinc/63/02/01/649630201.db2.gz XZHPTTMJNWCRHS-KGLIPLIRSA-N 2 0 290.407 2.202 20 10 CECDRP CC[NH+](CC)CC[C@H](CO)NCc1ccc(OC)c(C)c1 ZINC000883161001 652383174 /nfs/dbraw/zinc/38/31/74/652383174.db2.gz HOCSWEYPIPGSAA-MRXNPFEDSA-N 2 0 294.439 2.186 20 10 CECDRP C[C@@H](CF)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117759788 814945066 /nfs/dbraw/zinc/94/50/66/814945066.db2.gz BUJCVRREZROATQ-LBPRGKRZSA-N 2 0 283.366 2.025 20 10 CECDRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140954103 803627780 /nfs/dbraw/zinc/62/77/80/803627780.db2.gz LPRRWIAOVJWDCO-GJZGRUSLSA-N 2 0 260.381 2.084 20 10 CECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3O)C[C@H]2C1 ZINC001140954104 803627871 /nfs/dbraw/zinc/62/78/71/803627871.db2.gz LPRRWIAOVJWDCO-HUUCEWRRSA-N 2 0 260.381 2.084 20 10 CECDRP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1N(C)C ZINC001205101728 807633330 /nfs/dbraw/zinc/63/33/30/807633330.db2.gz JZNXTZCPODIZCR-OAHLLOKOSA-N 2 0 261.413 2.374 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397429071 813617834 /nfs/dbraw/zinc/61/78/34/813617834.db2.gz ZGPBRDAQVYQUNI-SCRDCRAPSA-N 2 0 278.396 2.206 20 10 CECDRP COc1cc(C[NH+]2CCCC2)cc(C[NH+](C)C)c1O ZINC001139253511 815997258 /nfs/dbraw/zinc/99/72/58/815997258.db2.gz WJORSHFURLJKII-UHFFFAOYSA-N 2 0 264.369 2.058 20 10 CECDRP COc1cc(C[N@@H+]2CC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139256097 815997427 /nfs/dbraw/zinc/99/74/27/815997427.db2.gz SWCMGOPVJFQUDM-NSHDSACASA-N 2 0 264.369 2.057 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC001139411119 816020146 /nfs/dbraw/zinc/02/01/46/816020146.db2.gz VXVSAAMWXZAJBE-FUHWJXTLSA-N 2 0 285.435 2.423 20 10 CECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2O)C1 ZINC000180550042 368386461 /nfs/dbraw/zinc/38/64/61/368386461.db2.gz TVGIUINRMFJJTQ-CQSZACIVSA-N 2 0 262.397 2.474 20 10 CECDRP Oc1ccc(F)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371529026 373912803 /nfs/dbraw/zinc/91/28/03/373912803.db2.gz PPKACNFRBXHLQR-VNQPRFMTSA-N 2 0 290.382 2.447 20 10 CECDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183416263 261974581 /nfs/dbraw/zinc/97/45/81/261974581.db2.gz UEWZQBPZJUVEJE-OAHLLOKOSA-N 2 0 291.439 2.070 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290611153 263117905 /nfs/dbraw/zinc/11/79/05/263117905.db2.gz WPKIGHQENSOUCS-CZUORRHYSA-N 2 0 290.407 2.317 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)c1O ZINC000037644035 521365166 /nfs/dbraw/zinc/36/51/66/521365166.db2.gz UYBMXJLRAOEISU-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000841103872 629128787 /nfs/dbraw/zinc/12/87/87/629128787.db2.gz LMWPGFOOTLPAJI-WBVHZDCISA-N 2 0 290.407 2.111 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000841064064 632378584 /nfs/dbraw/zinc/37/85/84/632378584.db2.gz OTHINFJJXNDYEI-GWCFXTLKSA-N 2 0 268.788 2.442 20 10 CECDRP CCN(CC)c1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000817890049 633752688 /nfs/dbraw/zinc/75/26/88/633752688.db2.gz WHKIFQLLQCRDDY-CYBMUJFWSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817901935 633763062 /nfs/dbraw/zinc/76/30/62/633763062.db2.gz ZUUOWWDEFXQYFE-MNOVXSKESA-N 2 0 253.365 2.107 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000817946127 633794051 /nfs/dbraw/zinc/79/40/51/633794051.db2.gz RZMKOSFYZXUJIB-NEPJUHHUSA-N 2 0 264.369 2.051 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000818431384 633920751 /nfs/dbraw/zinc/92/07/51/633920751.db2.gz KJNIQQSUHMYTST-HZPDHXFCSA-N 2 0 261.413 2.421 20 10 CECDRP CCOc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000903974450 635392989 /nfs/dbraw/zinc/39/29/89/635392989.db2.gz NCLHLSQMVSYOGN-CHWSQXEVSA-N 2 0 278.396 2.126 20 10 CECDRP C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1C[NH3+] ZINC000904410442 635616805 /nfs/dbraw/zinc/61/68/05/635616805.db2.gz DLRKRPJVPQUTQV-QWRGUYRKSA-N 2 0 268.788 2.462 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827857250 636443033 /nfs/dbraw/zinc/44/30/33/636443033.db2.gz ZQTAUMAJVBSAOU-INIZCTEOSA-N 2 0 292.423 2.243 20 10 CECDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841084974 637257353 /nfs/dbraw/zinc/25/73/53/637257353.db2.gz RCQLMGGVADRJTK-VHSXEESVSA-N 2 0 254.761 2.263 20 10 CECDRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000044532841 639321854 /nfs/dbraw/zinc/32/18/54/639321854.db2.gz AXUOEEIGMCPPKP-HNNXBMFYSA-N 2 0 262.397 2.435 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000840941073 639594334 /nfs/dbraw/zinc/59/43/34/639594334.db2.gz QQXHXPIWFFUJQB-IYBDPMFKSA-N 2 0 273.424 2.054 20 10 CECDRP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1O ZINC000841030467 639616291 /nfs/dbraw/zinc/61/62/91/639616291.db2.gz SDKPIIZVTIPLLN-NSHDSACASA-N 2 0 287.201 2.228 20 10 CECDRP COc1ccc(O)c(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000841039285 639629541 /nfs/dbraw/zinc/62/95/41/639629541.db2.gz ISYYBDQVBUUFKW-UHFFFAOYSA-N 2 0 264.369 2.152 20 10 CECDRP [NH3+]C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCCCC1 ZINC000841041047 639629890 /nfs/dbraw/zinc/62/98/90/639629890.db2.gz BCENAJOELVPVNV-UHFFFAOYSA-N 2 0 292.379 2.262 20 10 CECDRP CCOCc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OC ZINC000841051968 639633734 /nfs/dbraw/zinc/63/37/34/639633734.db2.gz SRHJJLTULHQEQE-GFCCVEGCSA-N 2 0 266.385 2.059 20 10 CECDRP Cc1cc(O)c(C[NH2+]CC2(C)CC[NH2+]CC2)cc1C ZINC000841057054 639635764 /nfs/dbraw/zinc/63/57/64/639635764.db2.gz LLCFEBVTDTXBAD-UHFFFAOYSA-N 2 0 262.397 2.488 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841061225 639637243 /nfs/dbraw/zinc/63/72/43/639637243.db2.gz HCBSJSHTXICCGT-CABZTGNLSA-N 2 0 284.787 2.284 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841062941 639638283 /nfs/dbraw/zinc/63/82/83/639638283.db2.gz ZNDKBKOEUSIGMF-YPMHNXCESA-N 2 0 264.369 2.021 20 10 CECDRP CCOc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1O ZINC000841080012 639648416 /nfs/dbraw/zinc/64/84/16/639648416.db2.gz MTUUUEUTULQEJO-LLVKDONJSA-N 2 0 252.358 2.008 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000841084773 639650582 /nfs/dbraw/zinc/65/05/82/639650582.db2.gz PJKDHFSQXVKJCJ-JGPFYOFESA-N 2 0 273.424 2.483 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000841087948 639651560 /nfs/dbraw/zinc/65/15/60/639651560.db2.gz UFTHMWKESUZEJA-MLGOLLRUSA-N 2 0 278.396 2.208 20 10 CECDRP C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000841101392 639664192 /nfs/dbraw/zinc/66/41/92/639664192.db2.gz VSBSIARERROASK-TZMCWYRMSA-N 2 0 279.403 2.308 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000843046415 640251092 /nfs/dbraw/zinc/25/10/92/640251092.db2.gz VFZILBKEXKSXLO-PLNGDYQASA-N 2 0 273.424 2.450 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125191 640292242 /nfs/dbraw/zinc/29/22/42/640292242.db2.gz NRLQZEAPUYUNBL-ZIAGYGMSSA-N 2 0 290.407 2.222 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CCCCCC[NH3+])c1 ZINC000843126827 640293681 /nfs/dbraw/zinc/29/36/81/640293681.db2.gz JMEKPWXJKCLWRH-UHFFFAOYSA-N 2 0 266.385 2.400 20 10 CECDRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(OC)c1O ZINC000844904327 640861190 /nfs/dbraw/zinc/86/11/90/640861190.db2.gz IANMGGRAUPXBAF-UHFFFAOYSA-N 2 0 286.375 2.410 20 10 CECDRP COc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1O ZINC000846170246 641211181 /nfs/dbraw/zinc/21/11/81/641211181.db2.gz MVPDPCQLGCXWCC-RYUDHWBXSA-N 2 0 266.385 2.249 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1O ZINC000070169571 641640236 /nfs/dbraw/zinc/64/02/36/641640236.db2.gz ADZOBZDLSFJCRC-ZDUSSCGKSA-N 2 0 278.396 2.352 20 10 CECDRP Cc1ccc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000071409451 641762825 /nfs/dbraw/zinc/76/28/25/641762825.db2.gz ITBUTJWJVXMLJN-YIONKMFJSA-N 2 0 260.381 2.415 20 10 CECDRP C[C@@H](CN)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817970114 642186899 /nfs/dbraw/zinc/18/68/99/642186899.db2.gz LIVYJOMIDLPOCU-YUMQZZPRSA-N 2 0 262.275 2.409 20 10 CECDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ccc2O)C1 ZINC000839183194 644182480 /nfs/dbraw/zinc/18/24/80/644182480.db2.gz UTANGRJFQSMAQC-LBPRGKRZSA-N 2 0 266.360 2.353 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(F)(F)C3)cc2)CC1 ZINC000758593166 644943514 /nfs/dbraw/zinc/94/35/14/644943514.db2.gz JWVWJUBQMYDEGQ-UHFFFAOYSA-N 2 0 295.377 2.326 20 10 CECDRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N(C)C)cc1 ZINC000863540097 646751206 /nfs/dbraw/zinc/75/12/06/646751206.db2.gz AMQYHSBNNDIWTG-MRXNPFEDSA-N 2 0 291.439 2.301 20 10 CECDRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cc(Cl)ccc1O ZINC000863544257 646752667 /nfs/dbraw/zinc/75/26/67/646752667.db2.gz OQBNZTRDCPEIHN-ZDUSSCGKSA-N 2 0 286.803 2.322 20 10 CECDRP [NH3+]CC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000128318483 651409721 /nfs/dbraw/zinc/40/97/21/651409721.db2.gz SFHDXTZZGASDJO-UHFFFAOYSA-N 2 0 254.761 2.216 20 10 CECDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC001118122138 814985664 /nfs/dbraw/zinc/98/56/64/814985664.db2.gz PUSYVMWWCQJUSB-HZSPNIEDSA-N 2 0 290.407 2.217 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205124202 807718848 /nfs/dbraw/zinc/71/88/48/807718848.db2.gz LJFGVBCGOZZSOO-CYBMUJFWSA-N 2 0 264.369 2.104 20 10 CECDRP CN(CCC[NH+]1CCCC1)Cc1c(O)cccc1F ZINC001137837458 809780446 /nfs/dbraw/zinc/78/04/46/809780446.db2.gz HVDJBXOJGCGZDD-UHFFFAOYSA-N 2 0 266.360 2.449 20 10 CECDRP CCc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1O ZINC000709481873 809962147 /nfs/dbraw/zinc/96/21/47/809962147.db2.gz HPHLGSGUNODPSC-UHFFFAOYSA-N 2 0 260.381 2.306 20 10 CECDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001169090162 811382557 /nfs/dbraw/zinc/38/25/57/811382557.db2.gz HYKDXXSLSFBOJH-MUJYYYPQSA-N 2 0 272.392 2.336 20 10 CECDRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1O ZINC000397356397 813614312 /nfs/dbraw/zinc/61/43/12/813614312.db2.gz FQSAVTYNGXIMHO-BZPMIXESSA-N 2 0 278.396 2.206 20 10 CECDRP C[C@H]1CC[C@H](NCc2ccc(Br)cc2O)C[NH2+]1 ZINC001246341642 813792666 /nfs/dbraw/zinc/79/26/66/813792666.db2.gz BLZIIHOGVRATCZ-CABZTGNLSA-N 2 0 299.212 2.385 20 10 CECDRP COc1cc(C[N@@H+]2CC[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255599 815997266 /nfs/dbraw/zinc/99/72/66/815997266.db2.gz PLVVKDMVJMSFCV-GFCCVEGCSA-N 2 0 278.396 2.304 20 10 CECDRP C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404349 816019239 /nfs/dbraw/zinc/01/92/39/816019239.db2.gz BPAMGEWQYGOVGX-GDBMZVCRSA-N 2 0 291.414 2.371 20 10 CECDRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139674119 816078047 /nfs/dbraw/zinc/07/80/47/816078047.db2.gz OHIXYTLCZAFAHH-IRXDYDNUSA-N 2 0 287.451 2.445 20 10 CECDRP COc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)c1 ZINC001206295082 816526964 /nfs/dbraw/zinc/52/69/64/816526964.db2.gz KZQUVUBZZNVXAY-MRXNPFEDSA-N 2 0 278.396 2.352 20 10 CECDRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000273366803 373753787 /nfs/dbraw/zinc/75/37/87/373753787.db2.gz BQNBIZULXPOOGV-LLVKDONJSA-N 2 0 298.814 2.153 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000090720249 623544078 /nfs/dbraw/zinc/54/40/78/623544078.db2.gz FNDIGJYMDPSVHM-IUODEOHRSA-N 2 0 260.381 2.194 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2c1c(F)ccc2O ZINC000902484173 634700875 /nfs/dbraw/zinc/70/08/75/634700875.db2.gz FEPMMTPYZONUNW-DNRKLUKYSA-N 2 0 264.344 2.407 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CF)C3)cc2)CC1 ZINC000895571955 630252769 /nfs/dbraw/zinc/25/27/69/630252769.db2.gz CQGYZFIJYQFGRZ-INIZCTEOSA-N 2 0 291.414 2.230 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000843130005 631772809 /nfs/dbraw/zinc/77/28/09/631772809.db2.gz WNEMXVPWYQUVQB-MEWZEZIVSA-N 2 0 261.413 2.481 20 10 CECDRP CCN(CC)c1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1F ZINC000817903491 633763807 /nfs/dbraw/zinc/76/38/07/633763807.db2.gz PVXQVOQRBPDCAE-LBPRGKRZSA-N 2 0 279.403 2.369 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)c2c1c(F)ccc2O ZINC000817937120 633787442 /nfs/dbraw/zinc/78/74/42/633787442.db2.gz TXHBCXRNJZGMOD-SKDRFNHKSA-N 2 0 264.344 2.421 20 10 CECDRP CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC[NH2+]CC1 ZINC000817965252 633806568 /nfs/dbraw/zinc/80/65/68/633806568.db2.gz RZDPPBZHABRWCW-ZDUSSCGKSA-N 2 0 260.381 2.359 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000817969017 633811494 /nfs/dbraw/zinc/81/14/94/633811494.db2.gz PJNLQUAAIFCMHR-VXGBXAGGSA-N 2 0 264.369 2.194 20 10 CECDRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C)cc1O ZINC000817982469 633824550 /nfs/dbraw/zinc/82/45/50/633824550.db2.gz SSIJGZIHVRKEEZ-ZFWWWQNUSA-N 2 0 278.396 2.120 20 10 CECDRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817982702 633827341 /nfs/dbraw/zinc/82/73/41/633827341.db2.gz VNUDWIDPBFUMDX-OCCSQVGLSA-N 2 0 298.814 2.465 20 10 CECDRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817985450 633828390 /nfs/dbraw/zinc/82/83/90/633828390.db2.gz KDZTXUMEKWIMCS-LLVKDONJSA-N 2 0 264.344 2.492 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818614640 633960693 /nfs/dbraw/zinc/96/06/93/633960693.db2.gz DINQFTMPYBKQLF-ZLKJLUDKSA-N 2 0 264.369 2.321 20 10 CECDRP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(O)c1 ZINC000903977098 635394665 /nfs/dbraw/zinc/39/46/65/635394665.db2.gz IWGRCLCICPPMNR-CHWSQXEVSA-N 2 0 278.396 2.208 20 10 CECDRP Cc1cc(O)c(C[NH2+]CCC[NH+](C)C)cc1Cl ZINC000825050199 635550138 /nfs/dbraw/zinc/55/01/38/635550138.db2.gz OZEHDGFSUFBOOX-UHFFFAOYSA-N 2 0 256.777 2.395 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904405772 635612572 /nfs/dbraw/zinc/61/25/72/635612572.db2.gz PJXSRYFGRXNGFS-MJSXRHKHSA-N 2 0 273.424 2.437 20 10 CECDRP CN(C)c1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000904432887 635626416 /nfs/dbraw/zinc/62/64/16/635626416.db2.gz IOQYFSKQWKWKRC-QGZVFWFLSA-N 2 0 273.424 2.471 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+][C@@H]1CCn3ccnc3C1)CC2 ZINC000834773550 637947276 /nfs/dbraw/zinc/94/72/76/637947276.db2.gz GUVVNMXSTVWCBF-CHWSQXEVSA-N 2 0 269.348 2.181 20 10 CECDRP CCC([NH3+])(CC)C[NH2+]Cc1cccc(OC)c1O ZINC000841030992 639622523 /nfs/dbraw/zinc/62/25/23/639622523.db2.gz NDYAUFVPSDQYMC-UHFFFAOYSA-N 2 0 252.358 2.008 20 10 CECDRP C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000841033274 639625099 /nfs/dbraw/zinc/62/50/99/639625099.db2.gz MIKXXSAMAMJVGQ-WDEREUQCSA-N 2 0 252.333 2.009 20 10 CECDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841035391 639627740 /nfs/dbraw/zinc/62/77/40/639627740.db2.gz NJKNHNHOAULTKW-XJKSGUPXSA-N 2 0 261.413 2.131 20 10 CECDRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000229103337 639676692 /nfs/dbraw/zinc/67/66/92/639676692.db2.gz ZRCIETQYSVLFQT-UHFFFAOYSA-N 2 0 298.814 2.486 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c1 ZINC000843044981 640249307 /nfs/dbraw/zinc/24/93/07/640249307.db2.gz OPJPWRYAMLMMRF-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843057360 640259662 /nfs/dbraw/zinc/25/96/62/640259662.db2.gz JFMDCUYRDWUUIP-YMEQAZQUSA-N 2 0 273.424 2.435 20 10 CECDRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)ccc1O ZINC000844921424 640866514 /nfs/dbraw/zinc/86/65/14/640866514.db2.gz IVSCSRZFELMSLK-JTQLQIEISA-N 2 0 252.333 2.311 20 10 CECDRP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000922140916 642902602 /nfs/dbraw/zinc/90/26/02/642902602.db2.gz UQHYZZDDHBDVEG-ZDUSSCGKSA-N 2 0 262.397 2.299 20 10 CECDRP CCOc1cccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1O ZINC000110643910 643452685 /nfs/dbraw/zinc/45/26/85/643452685.db2.gz FYTDQKFMJGGSRS-GFCCVEGCSA-N 2 0 278.396 2.350 20 10 CECDRP COc1ccc(N(C)CC[N@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923388658 643693654 /nfs/dbraw/zinc/69/36/54/643693654.db2.gz SXDVCCUWVZIKTG-UHFFFAOYSA-N 2 0 291.439 2.205 20 10 CECDRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775991132 647014314 /nfs/dbraw/zinc/01/43/14/647014314.db2.gz KPYXNGZKLTVJSE-GOEBONIOSA-N 2 0 273.424 2.184 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1O ZINC000122251241 648225635 /nfs/dbraw/zinc/22/56/35/648225635.db2.gz SUISXPROUVYUGS-OCCSQVGLSA-N 2 0 278.396 2.350 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1C ZINC000873222403 649597078 /nfs/dbraw/zinc/59/70/78/649597078.db2.gz QRZNMKMBMNXTSF-ZDUSSCGKSA-N 2 0 262.397 2.487 20 10 CECDRP [NH3+]C1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000127320267 651177390 /nfs/dbraw/zinc/17/73/90/651177390.db2.gz AHCCCLAYKBUCEI-UHFFFAOYSA-N 2 0 254.761 2.405 20 10 CECDRP C[NH2+]CC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000128323127 651418142 /nfs/dbraw/zinc/41/81/42/651418142.db2.gz WOTWQRADWSASGB-UHFFFAOYSA-N 2 0 268.788 2.477 20 10 CECDRP [NH3+]CCCOC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000128350283 651422744 /nfs/dbraw/zinc/42/27/44/651422744.db2.gz BKNZVCHTYLOEAQ-UHFFFAOYSA-N 2 0 298.814 2.375 20 10 CECDRP COc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1O ZINC000133338570 652621442 /nfs/dbraw/zinc/62/14/42/652621442.db2.gz MUJPZSWHKQUZNB-ZDUSSCGKSA-N 2 0 266.385 2.206 20 10 CECDRP C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1C[NH3+] ZINC000708825995 803550392 /nfs/dbraw/zinc/55/03/92/803550392.db2.gz RZAOKLLCSRZLRR-VHSXEESVSA-N 2 0 299.212 2.181 20 10 CECDRP Cc1cc(F)cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1O ZINC001238069440 808294540 /nfs/dbraw/zinc/29/45/40/808294540.db2.gz IPKWCACQBRAPFF-UHFFFAOYSA-N 2 0 278.371 2.367 20 10 CECDRP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1C[NH3+] ZINC000708891569 809937604 /nfs/dbraw/zinc/93/76/04/809937604.db2.gz YUOCMBLFWYROMZ-MWLCHTKSSA-N 2 0 254.761 2.072 20 10 CECDRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000389078111 813247340 /nfs/dbraw/zinc/24/73/40/813247340.db2.gz ZWINNDMRZVBIFJ-ZDUSSCGKSA-N 2 0 262.397 2.441 20 10 CECDRP CC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CC1 ZINC001139253519 815997046 /nfs/dbraw/zinc/99/70/46/815997046.db2.gz WWAMQKRPACTSLR-UHFFFAOYSA-N 2 0 278.396 2.447 20 10 CECDRP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1N(C)C ZINC001139673555 816077485 /nfs/dbraw/zinc/07/74/85/816077485.db2.gz SKDVICQKWPPSMD-IYBDPMFKSA-N 2 0 273.424 2.054 20 10 CECDRP Oc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226585177 370347214 /nfs/dbraw/zinc/34/72/14/370347214.db2.gz DNUTZQRRQBOVKY-ZIAGYGMSSA-N 2 0 264.344 2.248 20 10 CECDRP Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c(O)c1 ZINC000294841724 378024033 /nfs/dbraw/zinc/02/40/33/378024033.db2.gz RXPWBLUIUNFDSF-AWEZNQCLSA-N 2 0 292.423 2.116 20 10 CECDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183548591 395259263 /nfs/dbraw/zinc/25/92/63/395259263.db2.gz PHUWVXPGMQQKDJ-UONOGXRCSA-N 2 0 280.412 2.400 20 10 CECDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1O ZINC000374890902 267820911 /nfs/dbraw/zinc/82/09/11/267820911.db2.gz FEXGDYVJEXMTIW-INMHGKMJSA-N 2 0 290.407 2.076 20 10 CECDRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2O)C1 ZINC000290565326 328259349 /nfs/dbraw/zinc/25/93/49/328259349.db2.gz SQNQZWXDSZRNDV-DZGCQCFKSA-N 2 0 260.381 2.308 20 10 CECDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000841103871 629128636 /nfs/dbraw/zinc/12/86/36/629128636.db2.gz LMWPGFOOTLPAJI-RDJZCZTQSA-N 2 0 290.407 2.111 20 10 CECDRP Cc1cc(O)c(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1C ZINC000895297763 630086541 /nfs/dbraw/zinc/08/65/41/630086541.db2.gz OGSIHGDJQJNOPV-CYBMUJFWSA-N 2 0 250.386 2.439 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccccc2O)CCN1c1cc[nH+]cc1 ZINC000895558265 630248719 /nfs/dbraw/zinc/24/87/19/630248719.db2.gz UTKCJIRFPQVCRI-CQSZACIVSA-N 2 0 283.375 2.498 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@H](CN)C2CCCCC2)c1 ZINC000841039650 632203228 /nfs/dbraw/zinc/20/32/28/632203228.db2.gz XZVYOLUHYWGGFF-OAHLLOKOSA-N 2 0 278.396 2.398 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCCF)cc2)CC1 ZINC000812773115 632575568 /nfs/dbraw/zinc/57/55/68/632575568.db2.gz XJUKIPBFWJSKGI-UHFFFAOYSA-N 2 0 279.403 2.278 20 10 CECDRP C[NH+](C)C1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000817416253 633654425 /nfs/dbraw/zinc/65/44/25/633654425.db2.gz WGGDHUIHKAPWPC-UHFFFAOYSA-N 2 0 292.379 2.083 20 10 CECDRP C[C@@H]([NH2+]CCC[NH3+])c1cc(Br)ccc1O ZINC000817938499 633789123 /nfs/dbraw/zinc/78/91/23/633789123.db2.gz LSHJIGZJGXGYHT-MRVPVSSYSA-N 2 0 273.174 2.154 20 10 CECDRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(F)ccc1O ZINC000818615908 633960616 /nfs/dbraw/zinc/96/06/16/633960616.db2.gz RMWRQIROHLFZBK-ZWKOPEQDSA-N 2 0 252.333 2.452 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000903963990 635397973 /nfs/dbraw/zinc/39/79/73/635397973.db2.gz CUPKGLHGTPEZMT-KOLCDFICSA-N 2 0 299.212 2.100 20 10 CECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2O)C1 ZINC000876779668 650429372 /nfs/dbraw/zinc/42/93/72/650429372.db2.gz BHXWTMAAIABPJU-AWEZNQCLSA-N 2 0 262.397 2.474 20 10 CECDRP C[C@@H](CCC[NH3+])[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841081711 639649646 /nfs/dbraw/zinc/64/96/46/639649646.db2.gz XGRJHUXRBKHSDO-DYLGSBMWSA-N 2 0 261.413 2.483 20 10 CECDRP Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000841101724 639656436 /nfs/dbraw/zinc/65/64/36/639656436.db2.gz ZTCAASKJNFIRJK-IAQYHMDHSA-N 2 0 262.397 2.426 20 10 CECDRP Cc1cc(O)c(CN2CC[C@]3(CCC[NH2+]3)C2)cc1C ZINC000841105675 639670964 /nfs/dbraw/zinc/67/09/64/639670964.db2.gz XUFXHXAXFHYEDW-MRXNPFEDSA-N 2 0 260.381 2.337 20 10 CECDRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841748939 639857304 /nfs/dbraw/zinc/85/73/04/639857304.db2.gz CDNXSQDWIGNXNJ-NSHDSACASA-N 2 0 298.814 2.153 20 10 CECDRP CC(=O)c1cc(F)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1O ZINC000842476280 640075149 /nfs/dbraw/zinc/07/51/49/640075149.db2.gz KPNNSZHWNJRKCJ-AWEZNQCLSA-N 2 0 294.370 2.212 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000843053622 640256420 /nfs/dbraw/zinc/25/64/20/640256420.db2.gz OXNQUOXCSBFAHT-IUODEOHRSA-N 2 0 278.396 2.350 20 10 CECDRP COc1cccc(O)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000843056616 640258770 /nfs/dbraw/zinc/25/87/70/640258770.db2.gz SQQYSDDGMNSTKO-ZDUSSCGKSA-N 2 0 266.385 2.206 20 10 CECDRP C[C@H]1C[C@H](CN2CCCc3cc(C[NH3+])ccc32)CC[NH2+]1 ZINC000843058191 640260911 /nfs/dbraw/zinc/26/09/11/640260911.db2.gz OFRIANREGZQVIK-DZGCQCFKSA-N 2 0 273.424 2.286 20 10 CECDRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(O)c1 ZINC000843059726 640262752 /nfs/dbraw/zinc/26/27/52/640262752.db2.gz RBAODYCQKLEMRJ-RCBQFDQVSA-N 2 0 290.407 2.350 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843117284 640287267 /nfs/dbraw/zinc/28/72/67/640287267.db2.gz OEEOBPKOFLWZPO-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843123473 640290792 /nfs/dbraw/zinc/29/07/92/640290792.db2.gz JZSWGZIGMXROMT-KRWDZBQOSA-N 2 0 273.424 2.328 20 10 CECDRP COc1cccc(O)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843125931 640292068 /nfs/dbraw/zinc/29/20/68/640292068.db2.gz CRRVYEZPXMOCQD-CQSZACIVSA-N 2 0 290.407 2.222 20 10 CECDRP [NH3+]CCCCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000843127772 640294786 /nfs/dbraw/zinc/29/47/86/640294786.db2.gz IEPCDHDKVJBNGI-UHFFFAOYSA-N 2 0 291.439 2.132 20 10 CECDRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc2c1OCC2 ZINC000843341594 640395091 /nfs/dbraw/zinc/39/50/91/640395091.db2.gz VSBSIHJELQFTLA-BZUAXINKSA-N 2 0 272.392 2.099 20 10 CECDRP COc1ccc(N(C)CC[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000846225757 641232239 /nfs/dbraw/zinc/23/22/39/641232239.db2.gz UIAFMHOXEFACDB-HNNXBMFYSA-N 2 0 291.439 2.063 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(O)c1 ZINC000846699698 641400845 /nfs/dbraw/zinc/40/08/45/641400845.db2.gz VVZUCDTVXGHNJA-DGCLKSJQSA-N 2 0 264.369 2.103 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848557667 642052626 /nfs/dbraw/zinc/05/26/26/642052626.db2.gz IZCSFWRAZMVJKS-UPJWGTAASA-N 2 0 278.396 2.392 20 10 CECDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000848561855 642054694 /nfs/dbraw/zinc/05/46/94/642054694.db2.gz CWYCLYVEUDJAKV-PHIMTYICSA-N 2 0 268.788 2.475 20 10 CECDRP CCc1cccc(C[NH2+]CCC[N@H+](C)CCOC)c1O ZINC000848892618 642174208 /nfs/dbraw/zinc/17/42/08/642174208.db2.gz CDXLBQPNEQBERA-UHFFFAOYSA-N 2 0 280.412 2.013 20 10 CECDRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923281602 643636773 /nfs/dbraw/zinc/63/67/73/643636773.db2.gz QEBBIOFLTTWMGO-HNNXBMFYSA-N 2 0 261.413 2.232 20 10 CECDRP CN(C)c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1F ZINC000113336318 644356855 /nfs/dbraw/zinc/35/68/55/644356855.db2.gz NKVLLIQRRRINBS-UHFFFAOYSA-N 2 0 279.403 2.323 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000768691113 646154358 /nfs/dbraw/zinc/15/43/58/646154358.db2.gz PMUSMATVCKSKGK-CQSZACIVSA-N 2 0 263.429 2.491 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000771823805 646556393 /nfs/dbraw/zinc/55/63/93/646556393.db2.gz SSWKVGVFQNUSQO-CQSZACIVSA-N 2 0 273.424 2.327 20 10 CECDRP CCN(CC)c1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000863482328 646739374 /nfs/dbraw/zinc/73/93/74/646739374.db2.gz YKKDVXCMYIRZAZ-UHFFFAOYSA-N 2 0 291.439 2.130 20 10 CECDRP Cc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])c(O)c1C ZINC000863544887 646753042 /nfs/dbraw/zinc/75/30/42/646753042.db2.gz DMYKBHZGRSTHDC-ZDUSSCGKSA-N 2 0 266.385 2.025 20 10 CECDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1O ZINC000783504297 647722493 /nfs/dbraw/zinc/72/24/93/647722493.db2.gz WYTKYOKTKQKTJY-HNNXBMFYSA-N 2 0 291.439 2.070 20 10 CECDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000873239199 649605243 /nfs/dbraw/zinc/60/52/43/649605243.db2.gz PKLGUJZPILAVNY-MRVWCRGKSA-N 2 0 260.381 2.487 20 10 CECDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883145190 652378205 /nfs/dbraw/zinc/37/82/05/652378205.db2.gz RGNUOSABPVTUHQ-LLVKDONJSA-N 2 0 284.350 2.492 20 10 CECDRP [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001222532393 803894145 /nfs/dbraw/zinc/89/41/45/803894145.db2.gz LJAMXJWQHOLWQM-UHFFFAOYSA-N 2 0 272.751 2.308 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC001167898218 804592261 /nfs/dbraw/zinc/59/22/61/804592261.db2.gz PTTIZPWJJZUKCL-FVQHAEBGSA-N 2 0 285.435 2.327 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]1C[NH3+] ZINC001205150515 807826639 /nfs/dbraw/zinc/82/66/39/807826639.db2.gz DPFBFHIDNUMIBN-GXSJLCMTSA-N 2 0 288.313 2.438 20 10 CECDRP C[N@H+](Cc1ccccc1O)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155796 811418161 /nfs/dbraw/zinc/41/81/61/811418161.db2.gz VHXQWNPDKMTENG-FICVDOATSA-N 2 0 260.381 2.449 20 10 CECDRP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccccc2O)C1 ZINC001206337333 816773120 /nfs/dbraw/zinc/77/31/20/816773120.db2.gz UBXVEPGSNXOZSL-CQSZACIVSA-N 2 0 252.333 2.045 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206360743 816824692 /nfs/dbraw/zinc/82/46/92/816824692.db2.gz AIGLDYLORCNPLR-INIZCTEOSA-N 2 0 295.402 2.111 20 10 CECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C(C)C)cc2F)CC1 ZINC000034824225 361795924 /nfs/dbraw/zinc/79/59/24/361795924.db2.gz KDPOQSVYMRXAAY-UHFFFAOYSA-N 2 0 279.403 2.466 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295928562 276221707 /nfs/dbraw/zinc/22/17/07/276221707.db2.gz KBDRDXVWLSPIBH-TZMCWYRMSA-N 2 0 260.381 2.311 20 10 CECDRP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc2c(cc1O)CCCC2 ZINC000902407830 634622765 /nfs/dbraw/zinc/62/27/65/634622765.db2.gz VQJZJHGWOHKFOI-LLVKDONJSA-N 2 0 260.381 2.413 20 10 CECDRP Oc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197550 628925707 /nfs/dbraw/zinc/92/57/07/628925707.db2.gz KNNOHNKUBAIGKT-OAHLLOKOSA-N 2 0 260.381 2.356 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841028656 631810392 /nfs/dbraw/zinc/81/03/92/631810392.db2.gz BXEDWBOFQGUJGG-BXUZGUMPSA-N 2 0 264.369 2.008 20 10 CECDRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000841032846 631821640 /nfs/dbraw/zinc/82/16/40/631821640.db2.gz GEPVHLODUSXTPD-DZGCQCFKSA-N 2 0 262.397 2.481 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@@H](CN)C2CCCCC2)c1 ZINC000841039649 632203163 /nfs/dbraw/zinc/20/31/63/632203163.db2.gz XZVYOLUHYWGGFF-HNNXBMFYSA-N 2 0 278.396 2.398 20 10 CECDRP Cc1cc(Cl)cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057592 632360307 /nfs/dbraw/zinc/36/03/07/632360307.db2.gz AKYCVDOINXCSKC-TVQRCGJNSA-N 2 0 268.788 2.442 20 10 CECDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817901933 633762402 /nfs/dbraw/zinc/76/24/02/633762402.db2.gz ZUUOWWDEFXQYFE-GHMZBOCLSA-N 2 0 253.365 2.107 20 10 CECDRP C[NH2+]CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817939656 633788961 /nfs/dbraw/zinc/78/89/61/633788961.db2.gz HTAMBKMENKUJCX-KOLCDFICSA-N 2 0 252.333 2.279 20 10 CECDRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946159 633793807 /nfs/dbraw/zinc/79/38/07/633793807.db2.gz SRKYJKAKMOZYEQ-KBPBESRZSA-N 2 0 261.413 2.403 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000817959725 633801248 /nfs/dbraw/zinc/80/12/48/633801248.db2.gz URKCHXMUPHBMEH-ZWNOBZJWSA-N 2 0 252.358 2.035 20 10 CECDRP COCC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CC[NH2+]CC1 ZINC000817974443 633817550 /nfs/dbraw/zinc/81/75/50/633817550.db2.gz LYOSKEXBUPEAPE-AWEZNQCLSA-N 2 0 292.423 2.367 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000817982511 633826821 /nfs/dbraw/zinc/82/68/21/633826821.db2.gz UFPCKBOHJSHZEM-TUAOUCFPSA-N 2 0 264.369 2.179 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818431239 633921424 /nfs/dbraw/zinc/92/14/24/633921424.db2.gz HJXCTHFEEJXEPQ-ZIAGYGMSSA-N 2 0 264.369 2.150 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000903966840 635399774 /nfs/dbraw/zinc/39/97/74/635399774.db2.gz CWOIICTXJNKNSS-RCELQXLSSA-N 2 0 273.424 2.211 20 10 CECDRP c1cc2c(cc1C[NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000904355026 635586706 /nfs/dbraw/zinc/58/67/06/635586706.db2.gz KAIFPXXYYNCZCJ-OAHLLOKOSA-N 2 0 260.381 2.243 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904356333 635587693 /nfs/dbraw/zinc/58/76/93/635587693.db2.gz VZXUYUPFAIISEI-IUODEOHRSA-N 2 0 260.381 2.099 20 10 CECDRP Cc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827856435 636442995 /nfs/dbraw/zinc/44/29/95/636442995.db2.gz PHFJDFRODIALSM-INIZCTEOSA-N 2 0 292.423 2.243 20 10 CECDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841029058 639621689 /nfs/dbraw/zinc/62/16/89/639621689.db2.gz FCLNWCCFORSUBK-LSDHHAIUSA-N 2 0 260.381 2.229 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1O ZINC000841031808 639623828 /nfs/dbraw/zinc/62/38/28/639623828.db2.gz YLNBMJZIJBYSET-JSGCOSHPSA-N 2 0 278.396 2.398 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1O ZINC000841037068 639628893 /nfs/dbraw/zinc/62/88/93/639628893.db2.gz SDMPKGPVZSGMPZ-LLVKDONJSA-N 2 0 268.788 2.443 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(O)c1 ZINC000841054629 639634286 /nfs/dbraw/zinc/63/42/86/639634286.db2.gz FVRRXICRXYJECQ-QWHCGFSZSA-N 2 0 264.369 2.150 20 10 CECDRP C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC[NH2+]C1 ZINC000841057958 639635192 /nfs/dbraw/zinc/63/51/92/639635192.db2.gz UCPMTYXFDDQOLR-MRXNPFEDSA-N 2 0 260.381 2.101 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841062938 639638325 /nfs/dbraw/zinc/63/83/25/639638325.db2.gz ZNDKBKOEUSIGMF-DGCLKSJQSA-N 2 0 264.369 2.021 20 10 CECDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841064957 639640405 /nfs/dbraw/zinc/64/04/05/639640405.db2.gz XHGZCEKPNHJRGR-CABZTGNLSA-N 2 0 254.761 2.133 20 10 CECDRP CCOc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(O)c1 ZINC000841073790 639645097 /nfs/dbraw/zinc/64/50/97/639645097.db2.gz YNDSEMREAACRRW-AWEZNQCLSA-N 2 0 278.396 2.413 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000841083265 639649263 /nfs/dbraw/zinc/64/92/63/639649263.db2.gz ADYBKTAOQAIBAD-YPMHNXCESA-N 2 0 265.376 2.109 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000841084097 639650402 /nfs/dbraw/zinc/65/04/02/639650402.db2.gz GDRVTPDGTSDTMZ-AAEUAGOBSA-N 2 0 264.369 2.008 20 10 CECDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000841100093 639658723 /nfs/dbraw/zinc/65/87/23/639658723.db2.gz UKZHDDCFTGYOLX-RDJZCZTQSA-N 2 0 290.407 2.111 20 10 CECDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000841103870 639673194 /nfs/dbraw/zinc/67/31/94/639673194.db2.gz LMWPGFOOTLPAJI-NVXWUHKLSA-N 2 0 290.407 2.111 20 10 CECDRP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC000877041943 650544117 /nfs/dbraw/zinc/54/41/17/650544117.db2.gz PLIGVHCAFHTXRT-INIZCTEOSA-N 2 0 292.423 2.027 20 10 CECDRP CCOc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c(O)c1 ZINC000843056103 640258586 /nfs/dbraw/zinc/25/85/86/640258586.db2.gz ZGRRJJPUUGNFEI-UHFFFAOYSA-N 2 0 278.396 2.493 20 10 CECDRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(O)c1 ZINC000843059724 640262700 /nfs/dbraw/zinc/26/27/00/640262700.db2.gz RBAODYCQKLEMRJ-APHBMKBZSA-N 2 0 290.407 2.350 20 10 CECDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(C)cccc1O ZINC000877157828 650601833 /nfs/dbraw/zinc/60/18/33/650601833.db2.gz CZJAJAHSFRRDBU-CQSZACIVSA-N 2 0 280.412 2.147 20 10 CECDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC000844901452 640859968 /nfs/dbraw/zinc/85/99/68/640859968.db2.gz FMAFIBLZPQYUFG-UXLLHSPISA-N 2 0 290.407 2.111 20 10 CECDRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000108098110 642225951 /nfs/dbraw/zinc/22/59/51/642225951.db2.gz RUIHHLKIMKYEFW-HZPDHXFCSA-N 2 0 272.392 2.338 20 10 CECDRP COCC[N@@H+](Cc1ccccc1O)CC1CC[NH+](C)CC1 ZINC000877665002 650840667 /nfs/dbraw/zinc/84/06/67/650840667.db2.gz BTKVIXZUIXTKPN-UHFFFAOYSA-N 2 0 292.423 2.182 20 10 CECDRP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877736933 650878159 /nfs/dbraw/zinc/87/81/59/650878159.db2.gz CAGOOHVXLXSCCA-DZGCQCFKSA-N 2 0 260.381 2.227 20 10 CECDRP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(F)ccc1O ZINC000854222653 644016087 /nfs/dbraw/zinc/01/60/87/644016087.db2.gz JLKXUJAVVAMJQX-JTQLQIEISA-N 2 0 252.333 2.453 20 10 CECDRP CN(C)c1cc(F)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000858185381 645082646 /nfs/dbraw/zinc/08/26/46/645082646.db2.gz CTNPLMLDLZYUSW-BJHJDKERSA-N 2 0 297.393 2.461 20 10 CECDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccccc3O)c2)CC1 ZINC000865708239 647432050 /nfs/dbraw/zinc/43/20/50/647432050.db2.gz LOQLMGRJKNRNBO-UHFFFAOYSA-N 2 0 298.390 2.151 20 10 CECDRP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC001140948489 803621582 /nfs/dbraw/zinc/62/15/82/803621582.db2.gz JYWUZWACKZOQNV-UHFFFAOYSA-N 2 0 283.375 2.418 20 10 CECDRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000381742121 810866048 /nfs/dbraw/zinc/86/60/48/810866048.db2.gz PIOZBCPDFONMRL-GXTWGEPZSA-N 2 0 260.381 2.311 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000388927914 813245864 /nfs/dbraw/zinc/24/58/64/813245864.db2.gz RYEVEZOHZBGLSR-OAHLLOKOSA-N 2 0 261.413 2.230 20 10 CECDRP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001255948306 814032558 /nfs/dbraw/zinc/03/25/58/814032558.db2.gz JGAVHGGWPOYCKM-LBPRGKRZSA-N 2 0 266.385 2.308 20 10 CECDRP CC(C)[N@H+](Cc1c(O)cc(O)cc1O)C1CCN(C)CC1 ZINC001144516225 814099693 /nfs/dbraw/zinc/09/96/93/814099693.db2.gz UKPAKJSVPZZKSS-UHFFFAOYSA-N 2 0 294.395 2.108 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206201231 815740148 /nfs/dbraw/zinc/74/01/48/815740148.db2.gz WLIBFGDWOWVUDX-KBPBESRZSA-N 2 0 282.359 2.052 20 10 CECDRP CC[NH+](CC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253347 815997141 /nfs/dbraw/zinc/99/71/41/815997141.db2.gz RQLSCNYCVHEZQS-UHFFFAOYSA-N 2 0 266.385 2.304 20 10 CECDRP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140954102 816424275 /nfs/dbraw/zinc/42/42/75/816424275.db2.gz LPRRWIAOVJWDCO-GASCZTMLSA-N 2 0 260.381 2.084 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000019958836 361570738 /nfs/dbraw/zinc/57/07/38/361570738.db2.gz FLSQYUPENBGYDE-NSHDSACASA-N 2 0 252.358 2.003 20 10 CECDRP Cc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1O ZINC000271856062 373204337 /nfs/dbraw/zinc/20/43/37/373204337.db2.gz UVFMVAQWBVUJMO-UHFFFAOYSA-N 2 0 292.423 2.026 20 10 CECDRP C[C@@H](Cn1ccnc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296066663 378408667 /nfs/dbraw/zinc/40/86/67/378408667.db2.gz RYLJQQRKLNVUEM-AAEUAGOBSA-N 2 0 257.337 2.254 20 10 CECDRP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000293755514 395251031 /nfs/dbraw/zinc/25/10/31/395251031.db2.gz XFDQALNCKWZELT-QGZVFWFLSA-N 2 0 290.407 2.319 20 10 CECDRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000155688106 261105866 /nfs/dbraw/zinc/10/58/66/261105866.db2.gz LEBVTBTZWHBWSI-HOCLYGCPSA-N 2 0 291.439 2.069 20 10 CECDRP Cc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277826154 525350857 /nfs/dbraw/zinc/35/08/57/525350857.db2.gz LIRYZKZZQSDRAF-OAHLLOKOSA-N 2 0 292.423 2.291 20 10 CECDRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738226180 574854526 /nfs/dbraw/zinc/85/45/26/574854526.db2.gz VQIOMWRMZWBPAK-ZDUSSCGKSA-N 2 0 274.408 2.264 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c1O ZINC000040592626 623718402 /nfs/dbraw/zinc/71/84/02/623718402.db2.gz FQWKBZRWVNTQOB-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925790562 628835353 /nfs/dbraw/zinc/83/53/53/628835353.db2.gz ISWPUUKSPNCHEI-NFAWXSAZSA-N 2 0 261.413 2.259 20 10 CECDRP CN(C)c1ccc(/C=C\CNC[C@@H]2CCCC[NH2+]2)cc1 ZINC000841033265 631821227 /nfs/dbraw/zinc/82/12/27/631821227.db2.gz MGTODXOFZSMLME-KJPDOMRESA-N 2 0 273.424 2.498 20 10 CECDRP Cc1cc(O)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1C ZINC000841057384 632359512 /nfs/dbraw/zinc/35/95/12/632359512.db2.gz MEJJCZXKAHCMED-MRXNPFEDSA-N 2 0 262.397 2.488 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000841061416 632363543 /nfs/dbraw/zinc/36/35/43/632363543.db2.gz IRQSLNRGSIBEKO-AAEUAGOBSA-N 2 0 265.376 2.122 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]C/C=C/Cl)cc2)CC1 ZINC000898434000 632495473 /nfs/dbraw/zinc/49/54/73/632495473.db2.gz REFIRKJOBKXZLL-FARCUNLSSA-N 2 0 279.815 2.281 20 10 CECDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817900633 633761169 /nfs/dbraw/zinc/76/11/69/633761169.db2.gz PCNBIEYBQFFDSV-DOMZBBRYSA-N 2 0 279.403 2.369 20 10 CECDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817901701 633763112 /nfs/dbraw/zinc/76/31/12/633763112.db2.gz XBUSXGJDFGHRBE-OLZOCXBDSA-N 2 0 261.413 2.284 20 10 CECDRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1O ZINC000817970710 633812940 /nfs/dbraw/zinc/81/29/40/633812940.db2.gz CPXVZKNHNZINKO-CKYFFXLPSA-N 2 0 252.333 2.322 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000817977001 633819885 /nfs/dbraw/zinc/81/98/85/633819885.db2.gz YXYNFEIIYAKSID-JSGCOSHPSA-N 2 0 258.365 2.111 20 10 CECDRP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(O)c1 ZINC000817981908 633824238 /nfs/dbraw/zinc/82/42/38/633824238.db2.gz OIUGOSWZPSSULL-ZIAGYGMSSA-N 2 0 278.396 2.038 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000817982510 633825916 /nfs/dbraw/zinc/82/59/16/633825916.db2.gz UFPCKBOHJSHZEM-SRVKXCTJSA-N 2 0 264.369 2.179 20 10 CECDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000904355635 635587771 /nfs/dbraw/zinc/58/77/71/635587771.db2.gz PXCUKVVLEFAQAP-HUUCEWRRSA-N 2 0 260.381 2.371 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000904392592 635598749 /nfs/dbraw/zinc/59/87/49/635598749.db2.gz UQUNWWVPLZIPMD-HNNXBMFYSA-N 2 0 290.407 2.030 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841085704 637393998 /nfs/dbraw/zinc/39/39/98/637393998.db2.gz BCCSQKGMBLNCIT-CJNGLKHVSA-N 2 0 290.407 2.365 20 10 CECDRP COc1cccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1O ZINC000835061000 638044925 /nfs/dbraw/zinc/04/49/25/638044925.db2.gz FGJBZGRRCPSFSG-UHFFFAOYSA-N 2 0 278.396 2.365 20 10 CECDRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000044532843 639321890 /nfs/dbraw/zinc/32/18/90/639321890.db2.gz AXUOEEIGMCPPKP-OAHLLOKOSA-N 2 0 262.397 2.435 20 10 CECDRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000044515723 639322211 /nfs/dbraw/zinc/32/22/11/639322211.db2.gz JOOKFFLQWLVMBG-UHFFFAOYSA-N 2 0 268.788 2.477 20 10 CECDRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876940377 650496998 /nfs/dbraw/zinc/49/69/98/650496998.db2.gz SFBCEJXPTXVOBU-LSDHHAIUSA-N 2 0 260.381 2.417 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000841032356 639624153 /nfs/dbraw/zinc/62/41/53/639624153.db2.gz BMMJMXDAOYUVEZ-OCCSQVGLSA-N 2 0 279.403 2.369 20 10 CECDRP COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1C ZINC000841054848 639634223 /nfs/dbraw/zinc/63/42/23/639634223.db2.gz OKBFLHBGNWMWQD-UHFFFAOYSA-N 2 0 262.397 2.483 20 10 CECDRP CCOCc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000841063154 639638131 /nfs/dbraw/zinc/63/81/31/639638131.db2.gz FDICYUWIMJMJQR-BBRMVZONSA-N 2 0 292.423 2.319 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841064954 639640756 /nfs/dbraw/zinc/64/07/56/639640756.db2.gz XCDQMOGHWFNUKV-SKDRFNHKSA-N 2 0 284.787 2.142 20 10 CECDRP Oc1ccc(F)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841071748 639642456 /nfs/dbraw/zinc/64/24/56/639642456.db2.gz ALEYFPLJYDCIQN-CYBMUJFWSA-N 2 0 252.333 2.153 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000841072016 639643566 /nfs/dbraw/zinc/64/35/66/639643566.db2.gz DRRSJGSVWCPXRZ-AWEZNQCLSA-N 2 0 278.396 2.413 20 10 CECDRP Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1O ZINC000841076892 639647184 /nfs/dbraw/zinc/64/71/84/639647184.db2.gz SDYZNUANYSXUMF-IUCAKERBSA-N 2 0 287.201 2.288 20 10 CECDRP CCOc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(O)c1 ZINC000841078382 639647402 /nfs/dbraw/zinc/64/74/02/639647402.db2.gz CEPNAIQQRWCPCW-LLVKDONJSA-N 2 0 252.358 2.008 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1C ZINC000841079779 639648277 /nfs/dbraw/zinc/64/82/77/639648277.db2.gz NUYSZSIURKQXDE-HNNXBMFYSA-N 2 0 260.381 2.241 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841092982 639654615 /nfs/dbraw/zinc/65/46/15/639654615.db2.gz PJWHXLUJJSMAGF-UHFFFAOYSA-N 2 0 254.761 2.277 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000841100810 639659426 /nfs/dbraw/zinc/65/94/26/639659426.db2.gz KPQKJDHVXKXCBT-GXTWGEPZSA-N 2 0 278.396 2.208 20 10 CECDRP C[NH2+]CC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000063158910 639836772 /nfs/dbraw/zinc/83/67/72/639836772.db2.gz XFGOCHKPQXNIEO-UHFFFAOYSA-N 2 0 261.413 2.184 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c(O)c1 ZINC000843044596 640250217 /nfs/dbraw/zinc/25/02/17/640250217.db2.gz KXFPNVPMRWPIMZ-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048309 640252803 /nfs/dbraw/zinc/25/28/03/640252803.db2.gz IPRHULVVUQSORL-BWPKMQGJSA-N 2 0 259.397 2.046 20 10 CECDRP C[NH2+]CC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000843049428 640253965 /nfs/dbraw/zinc/25/39/65/640253965.db2.gz LNWZVTUNBZEVKC-UHFFFAOYSA-N 2 0 262.397 2.440 20 10 CECDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000843058700 640261238 /nfs/dbraw/zinc/26/12/38/640261238.db2.gz WHAMBXSFODACND-RCELQXLSSA-N 2 0 273.424 2.435 20 10 CECDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058672 640261436 /nfs/dbraw/zinc/26/14/36/640261436.db2.gz VSJXVTDCYSQTPM-AAEUAGOBSA-N 2 0 265.376 2.061 20 10 CECDRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)ccc1O ZINC000844921425 640866314 /nfs/dbraw/zinc/86/63/14/640866314.db2.gz IVSCSRZFELMSLK-SNVBAGLBSA-N 2 0 252.333 2.311 20 10 CECDRP COc1cccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000846148340 641202773 /nfs/dbraw/zinc/20/27/73/641202773.db2.gz ZRPHAEXEQMKJGH-LBPRGKRZSA-N 2 0 278.396 2.393 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1N(C)C ZINC000923356839 643679299 /nfs/dbraw/zinc/67/92/99/643679299.db2.gz VBOYIOGMZJXBEH-MRXNPFEDSA-N 2 0 261.413 2.232 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858137162 645071214 /nfs/dbraw/zinc/07/12/14/645071214.db2.gz HXMJMCUWKAFDPJ-CYBMUJFWSA-N 2 0 278.396 2.363 20 10 CECDRP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1O ZINC000862367503 646418236 /nfs/dbraw/zinc/41/82/36/646418236.db2.gz KXKGNLAZHGTMKT-ZDUSSCGKSA-N 2 0 278.396 2.363 20 10 CECDRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000863544092 646752731 /nfs/dbraw/zinc/75/27/31/646752731.db2.gz KQLINEBIXCICDZ-ZDUSSCGKSA-N 2 0 288.391 2.432 20 10 CECDRP C[C@H]([NH2+]CCOCCC[NH3+])c1cc2c(cc1O)CCCC2 ZINC000863546293 646753557 /nfs/dbraw/zinc/75/35/57/646753557.db2.gz KXGUIKPNUGBPBE-ZDUSSCGKSA-N 2 0 292.423 2.287 20 10 CECDRP CC[C@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1O ZINC000863547040 646754102 /nfs/dbraw/zinc/75/41/02/646754102.db2.gz OFJSDZSVHABRBS-ZDUSSCGKSA-N 2 0 286.803 2.452 20 10 CECDRP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(O)ccc4ccncc43)CC[C@H]21 ZINC000872726682 649470305 /nfs/dbraw/zinc/47/03/05/649470305.db2.gz UIFRBMPCNYGTBR-WMLDXEAASA-N 2 0 297.402 2.466 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873273169 649620217 /nfs/dbraw/zinc/62/02/17/649620217.db2.gz YKSPGQFCVNHLPG-NWDGAFQWSA-N 2 0 278.396 2.440 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130618563 652296276 /nfs/dbraw/zinc/29/62/76/652296276.db2.gz NLZNUUCMCVIGPL-UAGQMJEPSA-N 2 0 273.424 2.312 20 10 CECDRP CCOCc1cc(C[NH2+]CCCC[NH3+])ccc1OC ZINC001118018300 814977018 /nfs/dbraw/zinc/97/70/18/814977018.db2.gz FRINCSXPIINVKC-UHFFFAOYSA-N 2 0 266.385 2.060 20 10 CECDRP CN1CCCc2cc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc21 ZINC001206163352 815348880 /nfs/dbraw/zinc/34/88/80/815348880.db2.gz BUPFADBAAHPETF-CVEARBPZSA-N 2 0 291.414 2.330 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000723890126 811032247 /nfs/dbraw/zinc/03/22/47/811032247.db2.gz BVNGPUXVJRDPBB-GHMZBOCLSA-N 2 0 298.814 2.471 20 10 CECDRP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1O ZINC000226583981 370347170 /nfs/dbraw/zinc/34/71/70/370347170.db2.gz NBFTWKDMRRJNIM-UHFFFAOYSA-N 2 0 254.349 2.351 20 10 CECDRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000217915635 394456294 /nfs/dbraw/zinc/45/62/94/394456294.db2.gz ZRYRIZJAVFJRRV-DZGCQCFKSA-N 2 0 290.407 2.317 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185009021 262037741 /nfs/dbraw/zinc/03/77/41/262037741.db2.gz WWUSOPNHQVWSOJ-GFCCVEGCSA-N 2 0 284.375 2.150 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000292781230 521343323 /nfs/dbraw/zinc/34/33/23/521343323.db2.gz LKSCHSQOEVRPJK-KRWDZBQOSA-N 2 0 290.407 2.319 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000037649324 521366173 /nfs/dbraw/zinc/36/61/73/521366173.db2.gz OCMRKSZEMBIPKD-CYBMUJFWSA-N 2 0 290.407 2.365 20 10 CECDRP Oc1cc2c(cc1C[NH2+]CCC[NH+]1CCCCC1)OCO2 ZINC000042879459 526336021 /nfs/dbraw/zinc/33/60/21/526336021.db2.gz ZHIGUUQBOCVIKW-UHFFFAOYSA-N 2 0 292.379 2.087 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044515556 624459482 /nfs/dbraw/zinc/45/94/82/624459482.db2.gz WCPUSSZWYYQDLO-LBPRGKRZSA-N 2 0 278.396 2.393 20 10 CECDRP Oc1cccc(Cl)c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311210131 628450785 /nfs/dbraw/zinc/45/07/85/628450785.db2.gz KZKNJEBSCHJXAB-ZWNOBZJWSA-N 2 0 266.772 2.229 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1CC[NH3+] ZINC000903977562 635395104 /nfs/dbraw/zinc/39/51/04/635395104.db2.gz UIWZAXPNVHIBQC-TZMCWYRMSA-N 2 0 279.403 2.308 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000163425693 631565280 /nfs/dbraw/zinc/56/52/80/631565280.db2.gz ITNQKEFDCZLQGI-TZMCWYRMSA-N 2 0 278.396 2.208 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000841033735 631832601 /nfs/dbraw/zinc/83/26/01/631832601.db2.gz VEPZQUCIUWJKCM-STQMWFEESA-N 2 0 278.396 2.269 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000841058338 632361166 /nfs/dbraw/zinc/36/11/66/632361166.db2.gz VUAKOTULPLKYLN-INIZCTEOSA-N 2 0 279.403 2.371 20 10 CECDRP CCOCc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000841063156 632372903 /nfs/dbraw/zinc/37/29/03/632372903.db2.gz FDICYUWIMJMJQR-CJNGLKHVSA-N 2 0 292.423 2.319 20 10 CECDRP C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1CCC[NH2+]C1 ZINC000817947502 633793541 /nfs/dbraw/zinc/79/35/41/633793541.db2.gz OTMHCDQAECZQQF-IACUBPJLSA-N 2 0 260.381 2.357 20 10 CECDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817963018 633804748 /nfs/dbraw/zinc/80/47/48/633804748.db2.gz QFUTXYMEFYOXBG-IUCAKERBSA-N 2 0 287.201 2.400 20 10 CECDRP Cc1cc(Cl)cc([C@H](C)[NH2+]CC2C[NH2+]C2)c1O ZINC000817965141 633807022 /nfs/dbraw/zinc/80/70/22/633807022.db2.gz MQSCZFUSEPDDRE-VIFPVBQESA-N 2 0 254.761 2.224 20 10 CECDRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1O ZINC000817968454 633811366 /nfs/dbraw/zinc/81/13/66/633811366.db2.gz JNYDPBIILHZMTD-PWSUYJOCSA-N 2 0 252.333 2.324 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1O ZINC000817987076 633828267 /nfs/dbraw/zinc/82/82/67/633828267.db2.gz PSMWJLOSEOHKEF-XDQVBPFNSA-N 2 0 260.381 2.431 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959802 635369832 /nfs/dbraw/zinc/36/98/32/635369832.db2.gz OTLFABARUXBAEI-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955249 635389219 /nfs/dbraw/zinc/38/92/19/635389219.db2.gz NSZWQVMELUHSSV-SNVBAGLBSA-N 2 0 290.741 2.380 20 10 CECDRP Cc1cc(O)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903975204 635393986 /nfs/dbraw/zinc/39/39/86/635393986.db2.gz ZQSKJOODCFHDDU-ZIAGYGMSSA-N 2 0 262.397 2.344 20 10 CECDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC[NH2+]CC1 ZINC000904385513 635608057 /nfs/dbraw/zinc/60/80/57/635608057.db2.gz ZUAPCBQFLRGWHU-ZDUSSCGKSA-N 2 0 274.408 2.489 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088526 637696491 /nfs/dbraw/zinc/69/64/91/637696491.db2.gz YWKVVVPXWFGMFB-IUODEOHRSA-N 2 0 278.371 2.495 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044534963 639321765 /nfs/dbraw/zinc/32/17/65/639321765.db2.gz RIDCNRAHBOMUQX-QWHCGFSZSA-N 2 0 278.396 2.393 20 10 CECDRP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876940794 650497228 /nfs/dbraw/zinc/49/72/28/650497228.db2.gz XTQMKNTZOYPKSY-KGLIPLIRSA-N 2 0 260.381 2.417 20 10 CECDRP CCOc1cccc(C[NH2+]CC([NH3+])(CC)CC)c1O ZINC000841031417 639622462 /nfs/dbraw/zinc/62/24/62/639622462.db2.gz SYHLEGZMWCADPI-UHFFFAOYSA-N 2 0 266.385 2.398 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000841032398 639623465 /nfs/dbraw/zinc/62/34/65/639623465.db2.gz BSNODWGIPIUBBH-UONOGXRCSA-N 2 0 262.397 2.487 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1O ZINC000841031807 639624025 /nfs/dbraw/zinc/62/40/25/639624025.db2.gz YLNBMJZIJBYSET-GXTWGEPZSA-N 2 0 278.396 2.398 20 10 CECDRP Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000841038231 639628861 /nfs/dbraw/zinc/62/88/61/639628861.db2.gz HXCMDTFWQAYKKN-BBWFWOEESA-N 2 0 273.424 2.322 20 10 CECDRP Oc1ccc(F)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841071749 639642120 /nfs/dbraw/zinc/64/21/20/639642120.db2.gz ALEYFPLJYDCIQN-ZDUSSCGKSA-N 2 0 252.333 2.153 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(O)c1 ZINC000841073663 639643355 /nfs/dbraw/zinc/64/33/55/639643355.db2.gz VUQWATIXZKAQAE-HNNXBMFYSA-N 2 0 278.396 2.269 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000841084098 639650841 /nfs/dbraw/zinc/65/08/41/639650841.db2.gz GDRVTPDGTSDTMZ-DGCLKSJQSA-N 2 0 264.369 2.008 20 10 CECDRP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(O)c1 ZINC000841087669 639652372 /nfs/dbraw/zinc/65/23/72/639652372.db2.gz PQKNMSDVEPMVEB-MLGOLLRUSA-N 2 0 278.396 2.208 20 10 CECDRP C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000841101388 639668251 /nfs/dbraw/zinc/66/82/51/639668251.db2.gz VSBSIARERROASK-GXTWGEPZSA-N 2 0 279.403 2.308 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843057845 640259943 /nfs/dbraw/zinc/25/99/43/640259943.db2.gz MMGDHFYZDQVZOU-KBPBESRZSA-N 2 0 261.413 2.230 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125018 640291265 /nfs/dbraw/zinc/29/12/65/640291265.db2.gz LGTUWIRICLHYBS-UONOGXRCSA-N 2 0 290.407 2.222 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843125915 640292233 /nfs/dbraw/zinc/29/22/33/640292233.db2.gz CLJWJPXDSSWJEJ-NVXWUHKLSA-N 2 0 273.424 2.245 20 10 CECDRP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)c1O ZINC000843345158 640397567 /nfs/dbraw/zinc/39/75/67/640397567.db2.gz WKXGMDOIAVHGFR-UHFFFAOYSA-N 2 0 296.798 2.419 20 10 CECDRP Cc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(O)c1 ZINC000877536236 650774118 /nfs/dbraw/zinc/77/41/18/650774118.db2.gz MGTJJCLGFIHMCY-UHFFFAOYSA-N 2 0 293.455 2.016 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923493310 643737553 /nfs/dbraw/zinc/73/75/53/643737553.db2.gz RYMBSMZIDFZZHG-GDBMZVCRSA-N 2 0 275.440 2.478 20 10 CECDRP CCc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877739429 650881426 /nfs/dbraw/zinc/88/14/26/650881426.db2.gz FUCZOVXXBGYEJP-ZBFHGGJFSA-N 2 0 274.408 2.481 20 10 CECDRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1O ZINC000863546282 646753939 /nfs/dbraw/zinc/75/39/39/646753939.db2.gz KTZWPJRQXNKLQH-SNVBAGLBSA-N 2 0 272.776 2.062 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC3(C)C)cc2)CC1 ZINC000775700629 646982500 /nfs/dbraw/zinc/98/25/00/646982500.db2.gz LIIJQRSXEIAZBA-UHFFFAOYSA-N 2 0 273.424 2.423 20 10 CECDRP c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001118180542 814990856 /nfs/dbraw/zinc/99/08/56/814990856.db2.gz KEDWNINYEMMZGN-SJLPKXTDSA-N 2 0 285.435 2.471 20 10 CECDRP [NH3+][C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001205110323 807672522 /nfs/dbraw/zinc/67/25/22/807672522.db2.gz SERHOYPVGSGJKQ-JTQLQIEISA-N 2 0 254.761 2.359 20 10 CECDRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000389143288 813247810 /nfs/dbraw/zinc/24/78/10/813247810.db2.gz SXGUCWDEFGMIIX-CQSZACIVSA-N 2 0 260.381 2.311 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000037644588 361917934 /nfs/dbraw/zinc/91/79/34/361917934.db2.gz ODXMMIDLHJNNSD-HNNXBMFYSA-N 2 0 262.397 2.435 20 10 CECDRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1C ZINC000271851386 373204169 /nfs/dbraw/zinc/20/41/69/373204169.db2.gz TVEVOEYMTDEZAN-UHFFFAOYSA-N 2 0 260.381 2.355 20 10 CECDRP COc1ccc(O)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227520944 394473279 /nfs/dbraw/zinc/47/32/79/394473279.db2.gz ZVMNEDGTLFHDJT-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228671435 394476251 /nfs/dbraw/zinc/47/62/51/394476251.db2.gz IVZQNPBEIDZPOI-LLVKDONJSA-N 2 0 298.814 2.486 20 10 CECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183548575 395259083 /nfs/dbraw/zinc/25/90/83/395259083.db2.gz PHUWVXPGMQQKDJ-KBPBESRZSA-N 2 0 280.412 2.400 20 10 CECDRP CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1O ZINC000252563686 334382652 /nfs/dbraw/zinc/38/26/52/334382652.db2.gz XLXYGFSLQLLGIG-LZWOXQAQSA-N 2 0 290.407 2.296 20 10 CECDRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C)cc1O ZINC000280251887 522572952 /nfs/dbraw/zinc/57/29/52/522572952.db2.gz WRZAARAPKMJSPD-HNNXBMFYSA-N 2 0 292.423 2.198 20 10 CECDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000090720995 623544225 /nfs/dbraw/zinc/54/42/25/623544225.db2.gz PCOSUZSMJNLATG-DZGCQCFKSA-N 2 0 261.413 2.325 20 10 CECDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000925696354 628530726 /nfs/dbraw/zinc/53/07/26/628530726.db2.gz ZYPRJPIPYPKOIP-GJZGRUSLSA-N 2 0 261.413 2.307 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894190132 629197327 /nfs/dbraw/zinc/19/73/27/629197327.db2.gz JSBFTBRDTITEQY-ZDUSSCGKSA-N 2 0 278.396 2.141 20 10 CECDRP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)cc(OC)c1O ZINC000894777072 629633375 /nfs/dbraw/zinc/63/33/75/629633375.db2.gz LRLUMBRYPBDZLZ-UHFFFAOYSA-N 2 0 280.412 2.483 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841064117 632378435 /nfs/dbraw/zinc/37/84/35/632378435.db2.gz YJFWMNFKZKOOIX-RCELQXLSSA-N 2 0 273.424 2.496 20 10 CECDRP C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C[NH+](C)C ZINC000813785629 632733257 /nfs/dbraw/zinc/73/32/57/632733257.db2.gz FLJPFYBTZCHMQP-VIFPVBQESA-N 2 0 274.767 2.472 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817891450 633753559 /nfs/dbraw/zinc/75/35/59/633753559.db2.gz KLWQLXVBCOAMGD-RRFJBIMHSA-N 2 0 291.439 2.300 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817901939 633762370 /nfs/dbraw/zinc/76/23/70/633762370.db2.gz ZUUOWWDEFXQYFE-WDEREUQCSA-N 2 0 253.365 2.107 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])ccc21 ZINC000817901870 633763017 /nfs/dbraw/zinc/76/30/17/633763017.db2.gz YWHFYHJHDXSUFA-HZPDHXFCSA-N 2 0 273.424 2.286 20 10 CECDRP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817934684 633786873 /nfs/dbraw/zinc/78/68/73/633786873.db2.gz MYZZEFWILOVWBD-KBPBESRZSA-N 2 0 275.440 2.190 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000817952597 633797280 /nfs/dbraw/zinc/79/72/80/633797280.db2.gz GDPDUNVCVLNTMZ-LBPRGKRZSA-N 2 0 266.385 2.440 20 10 CECDRP C[C@@H]([NH2+]CCc1ccc(N)cc1)C1CC[NH+](C)CC1 ZINC000817956122 633799891 /nfs/dbraw/zinc/79/98/91/633799891.db2.gz RCORIPIZQDKBGK-CYBMUJFWSA-N 2 0 261.413 2.131 20 10 CECDRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817978840 633821195 /nfs/dbraw/zinc/82/11/95/633821195.db2.gz FPKDJJPKDNVBRJ-YWVKMMECSA-N 2 0 252.333 2.407 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000817985571 633828503 /nfs/dbraw/zinc/82/85/03/633828503.db2.gz FPCIBZVLIUYVMA-BYNSBNAKSA-N 2 0 272.392 2.357 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC000818238863 633892823 /nfs/dbraw/zinc/89/28/23/633892823.db2.gz PTTIZPWJJZUKCL-BJWYYQGGSA-N 2 0 285.435 2.327 20 10 CECDRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1O)CC[NH2+]CC2 ZINC000818431372 633921233 /nfs/dbraw/zinc/92/12/33/633921233.db2.gz KALVTDDDZMJWTD-GFCCVEGCSA-N 2 0 278.371 2.495 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903958014 635368419 /nfs/dbraw/zinc/36/84/19/635368419.db2.gz VPISYTBGHGJAMZ-AWEZNQCLSA-N 2 0 297.393 2.395 20 10 CECDRP CCOc1cccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903973347 635391510 /nfs/dbraw/zinc/39/15/10/635391510.db2.gz ADCBWWIEAHYTQG-CHWSQXEVSA-N 2 0 278.396 2.126 20 10 CECDRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840929614 639589201 /nfs/dbraw/zinc/58/92/01/639589201.db2.gz SSWZNCKSRXLELV-UHFFFAOYSA-N 2 0 293.455 2.119 20 10 CECDRP Cc1cc(Br)cc(C[NH2+]C2CC[NH2+]CC2)c1O ZINC000841026879 639620357 /nfs/dbraw/zinc/62/03/57/639620357.db2.gz UNJZUDNJCNILNN-UHFFFAOYSA-N 2 0 299.212 2.305 20 10 CECDRP COc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1O ZINC000841032777 639625444 /nfs/dbraw/zinc/62/54/44/639625444.db2.gz XRTPNYTXXGAOJH-UHFFFAOYSA-N 2 0 286.375 2.192 20 10 CECDRP Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000841049187 639631774 /nfs/dbraw/zinc/63/17/74/639631774.db2.gz CJCZDTLUHIUZOX-VIFPVBQESA-N 2 0 287.201 2.290 20 10 CECDRP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC000841061853 639637720 /nfs/dbraw/zinc/63/77/20/639637720.db2.gz OARFNGNAQRTRJH-JOYOIKCWSA-N 2 0 254.761 2.276 20 10 CECDRP COc1cc(O)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000841072422 639643439 /nfs/dbraw/zinc/64/34/39/639643439.db2.gz JYCDKQIKFXQFPX-ZDUSSCGKSA-N 2 0 294.395 2.031 20 10 CECDRP COc1cccc(O)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841071810 639643686 /nfs/dbraw/zinc/64/36/86/639643686.db2.gz BWXYCQQSAUUWGZ-GFCCVEGCSA-N 2 0 264.369 2.023 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000841078200 639647146 /nfs/dbraw/zinc/64/71/46/639647146.db2.gz GEJJQBXXEDNOIK-CWIOURORSA-N 2 0 285.435 2.498 20 10 CECDRP Cc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1O ZINC000841076893 639647456 /nfs/dbraw/zinc/64/74/56/639647456.db2.gz SDYZNUANYSXUMF-RKDXNWHRSA-N 2 0 287.201 2.288 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841081164 639649858 /nfs/dbraw/zinc/64/98/58/639649858.db2.gz XDXDTXKSJNYKEI-ZDUSSCGKSA-N 2 0 266.772 2.277 20 10 CECDRP Cc1cc(N(C)C)ccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841104928 639672789 /nfs/dbraw/zinc/67/27/89/639672789.db2.gz AWCMIWTVQPBMGK-QGZVFWFLSA-N 2 0 273.424 2.389 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]C2CCC([NH3+])CC2)c1O ZINC000229051621 639674506 /nfs/dbraw/zinc/67/45/06/639674506.db2.gz VBSYLYZZWCEODZ-UHFFFAOYSA-N 2 0 284.787 2.414 20 10 CECDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000232646459 639942755 /nfs/dbraw/zinc/94/27/55/639942755.db2.gz YVQXQLQVQUIUNX-LBPRGKRZSA-N 2 0 266.360 2.351 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045443 640251121 /nfs/dbraw/zinc/25/11/21/640251121.db2.gz QQGVDPCZHGIWMU-DZGCQCFKSA-N 2 0 290.407 2.365 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000843047838 640252415 /nfs/dbraw/zinc/25/24/15/640252415.db2.gz YKQPPXRWWXIYGR-IMMZDGJCSA-N 2 0 273.424 2.437 20 10 CECDRP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000843048231 640252716 /nfs/dbraw/zinc/25/27/16/640252716.db2.gz CQAIBTYFTDGGGK-SNVBAGLBSA-N 2 0 254.761 2.135 20 10 CECDRP CN(C)c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1F ZINC000843047674 640252839 /nfs/dbraw/zinc/25/28/39/640252839.db2.gz VAUVDPCDSANAFE-UHFFFAOYSA-N 2 0 265.376 2.062 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843051477 640254339 /nfs/dbraw/zinc/25/43/39/640254339.db2.gz JEGYIHUOXRWQDR-QWHCGFSZSA-N 2 0 278.396 2.350 20 10 CECDRP Cc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1O ZINC000843056536 640258401 /nfs/dbraw/zinc/25/84/01/640258401.db2.gz PMMHXZXYXLZOSO-UHFFFAOYSA-N 2 0 278.396 2.030 20 10 CECDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000843123511 640290340 /nfs/dbraw/zinc/29/03/40/640290340.db2.gz LCPRLXVBDZRNOU-CYBMUJFWSA-N 2 0 294.395 2.113 20 10 CECDRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000846147748 641201928 /nfs/dbraw/zinc/20/19/28/641201928.db2.gz VIPDQCYIWSDLIL-STQMWFEESA-N 2 0 278.396 2.393 20 10 CECDRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000846698207 641400997 /nfs/dbraw/zinc/40/09/97/641400997.db2.gz CHBNLGIMFDWPGY-DGCLKSJQSA-N 2 0 265.376 2.203 20 10 CECDRP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1N(C)C ZINC000923331445 643661381 /nfs/dbraw/zinc/66/13/81/643661381.db2.gz MBXWYTNUCWKCGS-DZGCQCFKSA-N 2 0 261.413 2.230 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000757943698 644861717 /nfs/dbraw/zinc/86/17/17/644861717.db2.gz SYJZRYARHOOUKS-UHFFFAOYSA-N 2 0 294.439 2.457 20 10 CECDRP c1cc(N2CCCCC2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000770394825 646387279 /nfs/dbraw/zinc/38/72/79/646387279.db2.gz NKMCEEORHNQQLP-IRXDYDNUSA-N 2 0 285.435 2.328 20 10 CECDRP Cc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])c(O)c1C ZINC000863544886 646752613 /nfs/dbraw/zinc/75/26/13/646752613.db2.gz DMYKBHZGRSTHDC-CYBMUJFWSA-N 2 0 266.385 2.025 20 10 CECDRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000774375414 646839939 /nfs/dbraw/zinc/83/99/39/646839939.db2.gz AHKRINHXICHMGU-KRWDZBQOSA-N 2 0 293.455 2.372 20 10 CECDRP C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775691863 646981544 /nfs/dbraw/zinc/98/15/44/646981544.db2.gz HDFTULZJKDKSNY-OAHLLOKOSA-N 2 0 273.424 2.423 20 10 CECDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883145191 652378083 /nfs/dbraw/zinc/37/80/83/652378083.db2.gz RGNUOSABPVTUHQ-NSHDSACASA-N 2 0 284.350 2.492 20 10 CECDRP Oc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353679 806674165 /nfs/dbraw/zinc/67/41/65/806674165.db2.gz QCTSECKNPSUAIY-UHFFFAOYSA-N 2 0 260.381 2.356 20 10 CECDRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000700814001 809357895 /nfs/dbraw/zinc/35/78/95/809357895.db2.gz SPHBZVPBDNOUPT-OAHLLOKOSA-N 2 0 274.408 2.443 20 10 CECDRP C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1C[NH3+] ZINC000708888915 809937671 /nfs/dbraw/zinc/93/76/71/809937671.db2.gz IUUWGGFTWLGVHU-NXEZZACHSA-N 2 0 254.761 2.072 20 10 CECDRP C[N@H+](CCCCCC[NH3+])Cc1cc(F)ccc1O ZINC000710750494 809991579 /nfs/dbraw/zinc/99/15/79/809991579.db2.gz LWKODACAVMVAMZ-UHFFFAOYSA-N 2 0 254.349 2.482 20 10 CECDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000381742123 810864424 /nfs/dbraw/zinc/86/44/24/810864424.db2.gz PIOZBCPDFONMRL-OCCSQVGLSA-N 2 0 260.381 2.311 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]1(C)C[NH3+] ZINC000388315907 813235757 /nfs/dbraw/zinc/23/57/57/813235757.db2.gz KYGYYAULJLCAAC-CZUORRHYSA-N 2 0 261.413 2.169 20 10 CECDRP Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389118721 813248225 /nfs/dbraw/zinc/24/82/25/813248225.db2.gz MUGZSIQNZZICBI-TXEJJXNPSA-N 2 0 280.799 2.477 20 10 CECDRP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCN4C)C[C@@H]2C1 ZINC001138359375 815776360 /nfs/dbraw/zinc/77/63/60/815776360.db2.gz SOHLAAAUEURVFH-HDICACEKSA-N 2 0 299.462 2.453 20 10 CECDRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1O ZINC000282205258 375428373 /nfs/dbraw/zinc/42/83/73/375428373.db2.gz HBRHQMVVYFCYBP-AWEZNQCLSA-N 2 0 291.439 2.069 20 10 CECDRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1O ZINC000155739842 261106774 /nfs/dbraw/zinc/10/67/74/261106774.db2.gz JECCOCMWKMKBRY-HOCLYGCPSA-N 2 0 291.439 2.069 20 10 CECDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1O ZINC000186566999 262100059 /nfs/dbraw/zinc/10/00/59/262100059.db2.gz ANKDEIFTQFDTMM-HUUCEWRRSA-N 2 0 291.439 2.069 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000245846752 334221466 /nfs/dbraw/zinc/22/14/66/334221466.db2.gz CGXRPGNODYLISG-CZUORRHYSA-N 2 0 290.407 2.317 20 10 CECDRP CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccccc1O ZINC000252563683 334382728 /nfs/dbraw/zinc/38/27/28/334382728.db2.gz XLXYGFSLQLLGIG-DZKIICNBSA-N 2 0 290.407 2.296 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292183460 522184734 /nfs/dbraw/zinc/18/47/34/522184734.db2.gz QSURATSTPZPEII-KRWDZBQOSA-N 2 0 273.424 2.280 20 10 CECDRP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2c1OCC2 ZINC000037649482 526427940 /nfs/dbraw/zinc/42/79/40/526427940.db2.gz FUNXFYLJHBBFAL-AWEZNQCLSA-N 2 0 272.392 2.195 20 10 CECDRP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC000902472493 634664277 /nfs/dbraw/zinc/66/42/77/634664277.db2.gz BAZURWOLPHESJN-XABYNWHXSA-N 2 0 259.397 2.296 20 10 CECDRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2c1c(F)ccc2O ZINC000902484172 634700635 /nfs/dbraw/zinc/70/06/35/634700635.db2.gz FEPMMTPYZONUNW-BFLSOPEQSA-N 2 0 264.344 2.407 20 10 CECDRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C)cc1O ZINC000794814585 629327251 /nfs/dbraw/zinc/32/72/51/629327251.db2.gz MEKBXEWYWLCNSW-HNNXBMFYSA-N 2 0 280.412 2.320 20 10 CECDRP C[N@H+](CCCF)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895898061 630393073 /nfs/dbraw/zinc/39/30/73/630393073.db2.gz JCACYJOPCOCWGL-UHFFFAOYSA-N 2 0 279.403 2.230 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000163425562 631565455 /nfs/dbraw/zinc/56/54/55/631565455.db2.gz ITNQKEFDCZLQGI-GXTWGEPZSA-N 2 0 278.396 2.208 20 10 CECDRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841036547 631979556 /nfs/dbraw/zinc/97/95/56/631979556.db2.gz UYMPZKYMHXAEMN-UHFFFAOYSA-N 2 0 261.413 2.274 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000841058824 632361546 /nfs/dbraw/zinc/36/15/46/632361546.db2.gz VUCYTCKQFDYZRH-ZDUSSCGKSA-N 2 0 264.369 2.023 20 10 CECDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)ccc1O ZINC000873252039 632416046 /nfs/dbraw/zinc/41/60/46/632416046.db2.gz OXCPEWQXFFJOAW-ATZCPNFKSA-N 2 0 254.761 2.434 20 10 CECDRP [NH3+]CC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000817901992 633762413 /nfs/dbraw/zinc/76/24/13/633762413.db2.gz GHBFSLXZIXMQMB-UHFFFAOYSA-N 2 0 260.381 2.229 20 10 CECDRP C[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817942238 633789969 /nfs/dbraw/zinc/78/99/69/633789969.db2.gz ZNIKTJJQLMUKNZ-VIFPVBQESA-N 2 0 287.201 2.415 20 10 CECDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc2ccccc2c1O ZINC000817944631 633792152 /nfs/dbraw/zinc/79/21/52/633792152.db2.gz INZCCQJCAPGDGB-CQSZACIVSA-N 2 0 299.418 2.101 20 10 CECDRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(F)ccc1O ZINC000817969634 633811301 /nfs/dbraw/zinc/81/13/01/633811301.db2.gz FPDCXBWGTHHLSK-MVWJERBFSA-N 2 0 252.333 2.452 20 10 CECDRP COCC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CC[NH2+]CC1 ZINC000817974444 633819097 /nfs/dbraw/zinc/81/90/97/633819097.db2.gz LYOSKEXBUPEAPE-CQSZACIVSA-N 2 0 292.423 2.367 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)ccc1O ZINC000817982236 633824953 /nfs/dbraw/zinc/82/49/53/633824953.db2.gz PRJCKKCOFDHBSZ-JBLDHEPKSA-N 2 0 252.333 2.309 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000904411250 635619314 /nfs/dbraw/zinc/61/93/14/635619314.db2.gz KHKHNXBBPRGXFQ-UKRRQHHQSA-N 2 0 261.413 2.169 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420544 635631765 /nfs/dbraw/zinc/63/17/65/635631765.db2.gz SEMQXNXYUKESRM-OAZXXZECSA-N 2 0 285.435 2.307 20 10 CECDRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000841082370 637105186 /nfs/dbraw/zinc/10/51/86/637105186.db2.gz IPTGVCSXUSPDLM-HAQNSBGRSA-N 2 0 266.360 2.386 20 10 CECDRP Cc1cccc(O)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000876596725 650352576 /nfs/dbraw/zinc/35/25/76/650352576.db2.gz JXXYFAGEBSVUOB-AWEZNQCLSA-N 2 0 262.397 2.474 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000841029086 639620938 /nfs/dbraw/zinc/62/09/38/639620938.db2.gz FUYCULKQGLITGC-JSGCOSHPSA-N 2 0 265.376 2.109 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000841054382 639634871 /nfs/dbraw/zinc/63/48/71/639634871.db2.gz DLDLUIMZFFGNBG-OLZOCXBDSA-N 2 0 264.369 2.150 20 10 CECDRP CC[NH2+][C@H](C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000841066336 639641524 /nfs/dbraw/zinc/64/15/24/639641524.db2.gz SFMFZRNVRUPTHC-CQSZACIVSA-N 2 0 291.439 2.252 20 10 CECDRP COc1cc(O)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000841072420 639643887 /nfs/dbraw/zinc/64/38/87/639643887.db2.gz JYCDKQIKFXQFPX-CYBMUJFWSA-N 2 0 294.395 2.031 20 10 CECDRP COc1cccc(O)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000841080526 639649286 /nfs/dbraw/zinc/64/92/86/639649286.db2.gz SBCRUHQBQDBLON-LLVKDONJSA-N 2 0 252.358 2.008 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841087122 639651548 /nfs/dbraw/zinc/65/15/48/639651548.db2.gz NBADVLLGPVCQSA-HIFRSBDPSA-N 2 0 260.381 2.356 20 10 CECDRP CCOc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(O)c1 ZINC000841091586 639654825 /nfs/dbraw/zinc/65/48/25/639654825.db2.gz AYWAWWSSMSJWQF-UHFFFAOYSA-N 2 0 264.369 2.023 20 10 CECDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1O ZINC000841751794 639858650 /nfs/dbraw/zinc/85/86/50/639858650.db2.gz KBENSEQVASQMPX-LLVKDONJSA-N 2 0 286.803 2.274 20 10 CECDRP C[NH2+]C[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843052091 640254642 /nfs/dbraw/zinc/25/46/42/640254642.db2.gz FZMTYAKJEBDMOK-YIEVGGLXSA-N 2 0 273.424 2.307 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c(O)c1 ZINC000843053874 640255985 /nfs/dbraw/zinc/25/59/85/640255985.db2.gz VRRZMOWPNWPWHX-IUODEOHRSA-N 2 0 278.396 2.350 20 10 CECDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000843058497 640261184 /nfs/dbraw/zinc/26/11/84/640261184.db2.gz URQCBZFGUSWZJZ-DGCLKSJQSA-N 2 0 265.376 2.061 20 10 CECDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000843129936 640296072 /nfs/dbraw/zinc/29/60/72/640296072.db2.gz UXUMSKDFABPWLG-RKDXNWHRSA-N 2 0 287.201 2.370 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000844902259 640859870 /nfs/dbraw/zinc/85/98/70/640859870.db2.gz NWDFDHLMWBEDNX-UHFFFAOYSA-N 2 0 264.369 2.010 20 10 CECDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2O)C1 ZINC000844909971 640863398 /nfs/dbraw/zinc/86/33/98/640863398.db2.gz FWWXHOBGLXYQRJ-HLLBOEOZSA-N 2 0 290.407 2.253 20 10 CECDRP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccccc1O ZINC000845997421 641147150 /nfs/dbraw/zinc/14/71/50/641147150.db2.gz ZUGSUSZKVBQBEZ-UHFFFAOYSA-N 2 0 250.386 2.460 20 10 CECDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183418392 641733242 /nfs/dbraw/zinc/73/32/42/641733242.db2.gz AWOMZALDZQTHDF-HUUCEWRRSA-N 2 0 291.439 2.069 20 10 CECDRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921689544 642533718 /nfs/dbraw/zinc/53/37/18/642533718.db2.gz STGOFVCPEAQIRQ-UHFFFAOYSA-N 2 0 274.408 2.443 20 10 CECDRP Cc1ccc(O)c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000850353742 642678800 /nfs/dbraw/zinc/67/88/00/642678800.db2.gz LKXOKDAJTCPCOA-HNNXBMFYSA-N 2 0 293.455 2.062 20 10 CECDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922224272 642966941 /nfs/dbraw/zinc/96/69/41/642966941.db2.gz KWDNMHCCVUGBOP-FZNQNYSPSA-N 2 0 274.408 2.441 20 10 CECDRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923414072 643702074 /nfs/dbraw/zinc/70/20/74/643702074.db2.gz ZPBKKDYMNORIRS-UKRRQHHQSA-N 2 0 261.413 2.088 20 10 CECDRP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877736934 650878269 /nfs/dbraw/zinc/87/82/69/650878269.db2.gz CAGOOHVXLXSCCA-HIFRSBDPSA-N 2 0 260.381 2.227 20 10 CECDRP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000112017206 644015548 /nfs/dbraw/zinc/01/55/48/644015548.db2.gz KPODXWJHSJXVKY-ZIAGYGMSSA-N 2 0 276.380 2.117 20 10 CECDRP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000877742685 650887667 /nfs/dbraw/zinc/88/76/67/650887667.db2.gz QOTRPRPMKJLIRY-HIFRSBDPSA-N 2 0 260.381 2.227 20 10 CECDRP Cn1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000771844837 646558598 /nfs/dbraw/zinc/55/85/98/646558598.db2.gz WVCLKLOIJQQUJG-UHFFFAOYSA-N 2 0 298.434 2.067 20 10 CECDRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C)cc1O ZINC000863540166 646750902 /nfs/dbraw/zinc/75/09/02/646750902.db2.gz BORPHSFRTYQGTE-AWEZNQCLSA-N 2 0 278.396 2.249 20 10 CECDRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725575 649470030 /nfs/dbraw/zinc/47/00/30/649470030.db2.gz UOQUZFBPQWCJPC-RDJZCZTQSA-N 2 0 286.419 2.407 20 10 CECDRP COc1cccc(O)c1CN1CCCCC[C@@H]([NH3+])C1 ZINC000873216013 649593448 /nfs/dbraw/zinc/59/34/48/649593448.db2.gz NKPIEAYIXAYSMO-GFCCVEGCSA-N 2 0 264.369 2.104 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000873221278 649595390 /nfs/dbraw/zinc/59/53/90/649595390.db2.gz IQRPRMQXOJSOJV-GFCCVEGCSA-N 2 0 260.381 2.099 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873270192 649619654 /nfs/dbraw/zinc/61/96/54/649619654.db2.gz YKSPGQFCVNHLPG-VXGBXAGGSA-N 2 0 278.396 2.440 20 10 CECDRP C[NH+]1CCN(c2ccc(C3=CCC[NH2+]CC3)cc2)CC1 ZINC001238945364 808459806 /nfs/dbraw/zinc/45/98/06/808459806.db2.gz QPRANBRXHOJFCI-UHFFFAOYSA-N 2 0 271.408 2.205 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000702580952 809568205 /nfs/dbraw/zinc/56/82/05/809568205.db2.gz RPJNDDXBCJIAQU-IYBDPMFKSA-N 2 0 260.381 2.132 20 10 CECDRP COc1cc(C[N@@H+]2CCC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253140 815996749 /nfs/dbraw/zinc/99/67/49/815996749.db2.gz NDTNHXXAVYIFTO-GFCCVEGCSA-N 2 0 278.396 2.447 20 10 CECDRP COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290626972 344684531 /nfs/dbraw/zinc/68/45/31/344684531.db2.gz XOWGWACDBOMLPG-WFASDCNBSA-N 2 0 278.396 2.173 20 10 CECDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000083551954 363779996 /nfs/dbraw/zinc/77/99/96/363779996.db2.gz FFWANYUIQZTHRI-LSDHHAIUSA-N 2 0 260.381 2.417 20 10 CECDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183416245 395256541 /nfs/dbraw/zinc/25/65/41/395256541.db2.gz UEWZQBPZJUVEJE-HNNXBMFYSA-N 2 0 291.439 2.070 20 10 CECDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000368734745 524911476 /nfs/dbraw/zinc/91/14/76/524911476.db2.gz ZYOOVWCUZOWFKV-JKIFEVAISA-N 2 0 287.451 2.497 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)ccc21 ZINC000925530890 628130667 /nfs/dbraw/zinc/13/06/67/628130667.db2.gz HGPIYSWINGJQCY-SJORKVTESA-N 2 0 285.435 2.429 20 10 CECDRP Oc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197549 628925750 /nfs/dbraw/zinc/92/57/50/628925750.db2.gz KNNOHNKUBAIGKT-HNNXBMFYSA-N 2 0 260.381 2.356 20 10 CECDRP COc1cc(C)cc(C[NH2+]CCCC[NH+](C)C)c1O ZINC000894208151 629218386 /nfs/dbraw/zinc/21/83/86/629218386.db2.gz DOVVMMUVIGVJQL-UHFFFAOYSA-N 2 0 266.385 2.141 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000843129235 631771186 /nfs/dbraw/zinc/77/11/86/631771186.db2.gz OEEQVDNNUHVJCN-WDEREUQCSA-N 2 0 252.358 2.006 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036378 631928033 /nfs/dbraw/zinc/92/80/33/631928033.db2.gz MEEIKCKDJGPKEU-JTQLQIEISA-N 2 0 254.761 2.135 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817891449 633753504 /nfs/dbraw/zinc/75/35/04/633753504.db2.gz KLWQLXVBCOAMGD-KKUMJFAQSA-N 2 0 291.439 2.300 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000817903120 633764217 /nfs/dbraw/zinc/76/42/17/633764217.db2.gz IEQYHOHPEDOJBT-DLBZAZTESA-N 2 0 289.423 2.133 20 10 CECDRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C)cc1O ZINC000817936587 633787746 /nfs/dbraw/zinc/78/77/46/633787746.db2.gz POLVQGPRRZVUTL-INIZCTEOSA-N 2 0 291.439 2.037 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000817941414 633789520 /nfs/dbraw/zinc/78/95/20/633789520.db2.gz QDCMXHNVYJPBRS-LLVKDONJSA-N 2 0 264.369 2.051 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])c2c1c(F)ccc2O ZINC000817960278 633803354 /nfs/dbraw/zinc/80/33/54/633803354.db2.gz LNJFZNVVJKFKTE-SCZZXKLOSA-N 2 0 252.333 2.407 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000817964786 633806748 /nfs/dbraw/zinc/80/67/48/633806748.db2.gz IOWPVLHGTBVKTE-GFCCVEGCSA-N 2 0 278.396 2.441 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1O ZINC000818431122 633920911 /nfs/dbraw/zinc/92/09/11/633920911.db2.gz GFZDTFNZJSVJNC-VXGBXAGGSA-N 2 0 284.787 2.414 20 10 CECDRP COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000818616589 633960569 /nfs/dbraw/zinc/96/05/69/633960569.db2.gz YNCQGKNJBATKKH-RRFJBIMHSA-N 2 0 291.439 2.237 20 10 CECDRP Cc1cc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903955473 635388783 /nfs/dbraw/zinc/38/87/83/635388783.db2.gz SLGPKRPDPBBNHB-ZDUSSCGKSA-N 2 0 284.350 2.343 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC[NH2+]1 ZINC000904356311 635587795 /nfs/dbraw/zinc/58/77/95/635587795.db2.gz VPVSDZWSUMAVKI-IUODEOHRSA-N 2 0 260.381 2.242 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCn3ccnc3C1)CC2 ZINC000834773551 637946807 /nfs/dbraw/zinc/94/68/07/637946807.db2.gz GUVVNMXSTVWCBF-OLZOCXBDSA-N 2 0 269.348 2.181 20 10 CECDRP Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(O)c1 ZINC000876690389 650401770 /nfs/dbraw/zinc/40/17/70/650401770.db2.gz KBFFTWLMPSBGIA-UHFFFAOYSA-N 2 0 262.397 2.474 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]C1 ZINC000841032871 639625329 /nfs/dbraw/zinc/62/53/29/639625329.db2.gz GPABYYXFIZNBHE-IUODEOHRSA-N 2 0 260.381 2.099 20 10 CECDRP COc1ccc(O)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000841071808 639643392 /nfs/dbraw/zinc/64/33/92/639643392.db2.gz BVENNUFETBLSMQ-CYBMUJFWSA-N 2 0 264.369 2.023 20 10 CECDRP Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1O ZINC000841076890 639647304 /nfs/dbraw/zinc/64/73/04/639647304.db2.gz SDYZNUANYSXUMF-BDAKNGLRSA-N 2 0 287.201 2.288 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1O ZINC000841084552 639650791 /nfs/dbraw/zinc/65/07/91/639650791.db2.gz KQASXBZLPFYHSK-YPMHNXCESA-N 2 0 264.369 2.008 20 10 CECDRP CCOc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1O ZINC000841093865 639655773 /nfs/dbraw/zinc/65/57/73/639655773.db2.gz VGRYVMGAFHECOY-UHFFFAOYSA-N 2 0 264.369 2.023 20 10 CECDRP C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C[NH3+] ZINC000841101391 639668986 /nfs/dbraw/zinc/66/89/86/639668986.db2.gz VSBSIARERROASK-OCCSQVGLSA-N 2 0 279.403 2.308 20 10 CECDRP Cc1cccc(O)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000877085751 650565161 /nfs/dbraw/zinc/56/51/61/650565161.db2.gz RAJURDADZKJJEZ-UHFFFAOYSA-N 2 0 292.423 2.026 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(O)c1 ZINC000843051491 640255333 /nfs/dbraw/zinc/25/53/33/640255333.db2.gz JKEOGGIBAKQEGZ-CHWSQXEVSA-N 2 0 278.396 2.350 20 10 CECDRP C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843052796 640255695 /nfs/dbraw/zinc/25/56/95/640255695.db2.gz WJIHVJJPTNKREU-ROHVMALMSA-N 2 0 273.424 2.435 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843057848 640259891 /nfs/dbraw/zinc/25/98/91/640259891.db2.gz MMGDHFYZDQVZOU-ZIAGYGMSSA-N 2 0 261.413 2.230 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000843114940 640285178 /nfs/dbraw/zinc/28/51/78/640285178.db2.gz LRKVVJNXSOHJTF-BDUNBXCCSA-N 2 0 273.424 2.437 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000843113549 640285669 /nfs/dbraw/zinc/28/56/69/640285669.db2.gz WTILHECBWYNEDG-CYBMUJFWSA-N 2 0 278.396 2.352 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000843120885 640289621 /nfs/dbraw/zinc/28/96/21/640289621.db2.gz XGPUQCKGKVIECD-MRXNPFEDSA-N 2 0 260.381 2.194 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000843124393 640290218 /nfs/dbraw/zinc/29/02/18/640290218.db2.gz AARAFWSTSIPDIU-PLNGDYQASA-N 2 0 259.397 2.187 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000843126040 640293438 /nfs/dbraw/zinc/29/34/38/640293438.db2.gz FEZDFWKHXGCKMT-ZFWWWQNUSA-N 2 0 260.381 2.193 20 10 CECDRP CN(C)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1F ZINC000843127859 640294237 /nfs/dbraw/zinc/29/42/37/640294237.db2.gz UCNOGTCXGYSFKE-UHFFFAOYSA-N 2 0 291.414 2.467 20 10 CECDRP Cc1ccc(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000843129728 640296564 /nfs/dbraw/zinc/29/65/64/640296564.db2.gz ZCEPMPVZORFNEA-UHFFFAOYSA-N 2 0 256.349 2.449 20 10 CECDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2O)C1 ZINC000844909969 640863176 /nfs/dbraw/zinc/86/31/76/640863176.db2.gz FWWXHOBGLXYQRJ-BFYDXBDKSA-N 2 0 290.407 2.253 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000844919908 640866215 /nfs/dbraw/zinc/86/62/15/640866215.db2.gz IGDZNPKSUATERP-NSHDSACASA-N 2 0 264.369 2.180 20 10 CECDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000070171805 641641579 /nfs/dbraw/zinc/64/15/79/641641579.db2.gz KMYLCFWXEKEZOZ-DZGCQCFKSA-N 2 0 261.413 2.312 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000849350085 642340362 /nfs/dbraw/zinc/34/03/62/642340362.db2.gz JYLAFEXLORFWMK-KKUMJFAQSA-N 2 0 289.423 2.133 20 10 CECDRP c1cc(N2CCCCC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770394823 646386771 /nfs/dbraw/zinc/38/67/71/646386771.db2.gz NKMCEEORHNQQLP-CALCHBBNSA-N 2 0 285.435 2.328 20 10 CECDRP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)cc1C ZINC000793763650 648794868 /nfs/dbraw/zinc/79/48/68/648794868.db2.gz DYWDUURGCHGKEM-KRWDZBQOSA-N 2 0 290.407 2.237 20 10 CECDRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000723670769 802826660 /nfs/dbraw/zinc/82/66/60/802826660.db2.gz NZNFADBFBJYCEM-JTQLQIEISA-N 2 0 254.761 2.216 20 10 CECDRP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001118122293 814986282 /nfs/dbraw/zinc/98/62/82/814986282.db2.gz STWSSBJNESLAFU-DKQGBHPVSA-N 2 0 258.365 2.056 20 10 CECDRP Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205124322 807720831 /nfs/dbraw/zinc/72/08/31/807720831.db2.gz OHEOGNGUIFUAQO-CYBMUJFWSA-N 2 0 252.333 2.153 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000709872037 809973939 /nfs/dbraw/zinc/97/39/39/809973939.db2.gz XIPOOHZROVRHCV-QGZVFWFLSA-N 2 0 273.424 2.328 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC001118241675 810131315 /nfs/dbraw/zinc/13/13/15/810131315.db2.gz KBEZQXQIVTVVFD-YOEHRIQHSA-N 2 0 273.424 2.456 20 10 CECDRP CCC1([NH3+])CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000714752513 814913989 /nfs/dbraw/zinc/91/39/89/814913989.db2.gz VQWWZAIZIJCFGK-UHFFFAOYSA-N 2 0 264.369 2.104 20 10 CECDRP CCOc1cccc(C[NH+]2CCC([NH3+])(CC)CC2)c1O ZINC000714763427 814915620 /nfs/dbraw/zinc/91/56/20/814915620.db2.gz CMYHJOZJZZUZOO-UHFFFAOYSA-N 2 0 278.396 2.494 20 10 CECDRP CC[NH+]1C[C@H]2C[NH+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140184751 816206106 /nfs/dbraw/zinc/20/61/06/816206106.db2.gz GXHYJSRMKNSKDW-GJZGRUSLSA-N 2 0 274.408 2.393 20 10 CECDRP COc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)c1 ZINC001206295075 816526880 /nfs/dbraw/zinc/52/68/80/816526880.db2.gz KZQUVUBZZNVXAY-INIZCTEOSA-N 2 0 278.396 2.352 20 10 CECDRP CN(C)c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1F ZINC000271789625 373201365 /nfs/dbraw/zinc/20/13/65/373201365.db2.gz GHDNCVLAFPCOOQ-UHFFFAOYSA-N 2 0 277.387 2.243 20 10 CECDRP Cc1cccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1O ZINC000272625512 373587291 /nfs/dbraw/zinc/58/72/91/373587291.db2.gz MKGITCYIMNWNSH-HIFRSBDPSA-N 2 0 260.381 2.227 20 10 CECDRP Oc1ccc(F)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371529024 373911549 /nfs/dbraw/zinc/91/15/49/373911549.db2.gz PPKACNFRBXHLQR-FVQBIDKESA-N 2 0 290.382 2.447 20 10 CECDRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccccc2O)CC1 ZINC000375510568 374661366 /nfs/dbraw/zinc/66/13/66/374661366.db2.gz YMLPNHJEEYBWCB-UHFFFAOYSA-N 2 0 260.381 2.452 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000180392698 261857556 /nfs/dbraw/zinc/85/75/56/261857556.db2.gz QLMHOYJUGCZKML-AWEZNQCLSA-N 2 0 290.407 2.319 20 10 CECDRP C[NH+]1CCC(CC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226607487 263259006 /nfs/dbraw/zinc/25/90/06/263259006.db2.gz GAALCXMRYOCSRU-UHFFFAOYSA-N 2 0 266.360 2.353 20 10 CECDRP CN1CCc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000250396342 333305026 /nfs/dbraw/zinc/30/50/26/333305026.db2.gz QYXGIRHKZFNVIR-SJORKVTESA-N 2 0 285.435 2.395 20 10 CECDRP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(O)c1 ZINC000293248553 524328974 /nfs/dbraw/zinc/32/89/74/524328974.db2.gz BMPJZVWGLFAQPU-HUUCEWRRSA-N 2 0 292.423 2.116 20 10 CECDRP Cc1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000290166112 524374517 /nfs/dbraw/zinc/37/45/17/524374517.db2.gz MKFYBORWTYKNQJ-UHFFFAOYSA-N 2 0 293.455 2.016 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051693669 625269971 /nfs/dbraw/zinc/26/99/71/625269971.db2.gz HAVGGDGJWVJCDZ-VOMCLLRMSA-N 2 0 264.369 2.321 20 10 CECDRP [NH3+]CCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000236165516 625902023 /nfs/dbraw/zinc/90/20/23/625902023.db2.gz WQMIYLQQOVOTKA-UHFFFAOYSA-N 2 0 252.333 2.092 20 10 CECDRP Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC000903977553 635395330 /nfs/dbraw/zinc/39/53/30/635395330.db2.gz SXJDMTRCYBOLJQ-ZIAGYGMSSA-N 2 0 262.397 2.426 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000228673973 631213980 /nfs/dbraw/zinc/21/39/80/631213980.db2.gz DKOLIIHWPZTXMZ-NSHDSACASA-N 2 0 298.814 2.486 20 10 CECDRP C[C@@H](F)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000815148612 632972750 /nfs/dbraw/zinc/97/27/50/632972750.db2.gz BDJLBIDVNGOEJK-CQSZACIVSA-N 2 0 279.403 2.276 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817865527 633745502 /nfs/dbraw/zinc/74/55/02/633745502.db2.gz KMKKXJIQLBJZGM-UHFFFAOYSA-N 2 0 273.424 2.389 20 10 CECDRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817946004 633792687 /nfs/dbraw/zinc/79/26/87/633792687.db2.gz PNWUHPNYMLVSKK-WDEREUQCSA-N 2 0 252.333 2.182 20 10 CECDRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817953862 633796872 /nfs/dbraw/zinc/79/68/72/633796872.db2.gz VKVUAVCSXLWIKM-ATZCPNFKSA-N 2 0 252.333 2.407 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2c1c(F)ccc2O ZINC000817964675 633807285 /nfs/dbraw/zinc/80/72/85/633807285.db2.gz DBTBCYLXXNJQFR-FXAINCCUSA-N 2 0 264.344 2.407 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163389660 635165835 /nfs/dbraw/zinc/16/58/35/635165835.db2.gz SCFISVYYETWUPH-JQWIXIFHSA-N 2 0 298.814 2.471 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903958016 635367832 /nfs/dbraw/zinc/36/78/32/635367832.db2.gz VPISYTBGHGJAMZ-CQSZACIVSA-N 2 0 297.393 2.395 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]C1 ZINC000904353025 635585435 /nfs/dbraw/zinc/58/54/35/635585435.db2.gz GKVSTLKBTVXNAT-CZUORRHYSA-N 2 0 274.408 2.489 20 10 CECDRP [NH3+]CC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000904376449 635602045 /nfs/dbraw/zinc/60/20/45/635602045.db2.gz SKJNJRWPKRGFSF-UHFFFAOYSA-N 2 0 260.381 2.230 20 10 CECDRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904378966 635603110 /nfs/dbraw/zinc/60/31/10/635603110.db2.gz OFPXGBKXLZFVLK-OAHLLOKOSA-N 2 0 262.397 2.475 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000904406753 635613897 /nfs/dbraw/zinc/61/38/97/635613897.db2.gz VPRWPFANIRHMFS-GFCCVEGCSA-N 2 0 265.376 2.062 20 10 CECDRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000904406393 635614051 /nfs/dbraw/zinc/61/40/51/635614051.db2.gz SBKMIGWYMOXCKX-VIFPVBQESA-N 2 0 272.751 2.355 20 10 CECDRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000906508061 636758860 /nfs/dbraw/zinc/75/88/60/636758860.db2.gz JRUFVMZYVMSJQB-SHTZXODSSA-N 2 0 259.397 2.256 20 10 CECDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834620966 637891995 /nfs/dbraw/zinc/89/19/95/637891995.db2.gz ZHVSPVVNXNTYNG-CABCVRRESA-N 2 0 292.423 2.326 20 10 CECDRP COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1O ZINC000841030125 639623042 /nfs/dbraw/zinc/62/30/42/639623042.db2.gz KJXIMGXNJCDEJD-WCQYABFASA-N 2 0 264.369 2.008 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1O ZINC000841037071 639628853 /nfs/dbraw/zinc/62/88/53/639628853.db2.gz SDMPKGPVZSGMPZ-NSHDSACASA-N 2 0 268.788 2.443 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841062937 639637700 /nfs/dbraw/zinc/63/77/00/639637700.db2.gz ZNDKBKOEUSIGMF-AAEUAGOBSA-N 2 0 264.369 2.021 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000841062529 639638289 /nfs/dbraw/zinc/63/82/89/639638289.db2.gz MQVXTKATEMGYLI-HIFRSBDPSA-N 2 0 261.413 2.291 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841062515 639638317 /nfs/dbraw/zinc/63/83/17/639638317.db2.gz MQVXTKATEMGYLI-DZGCQCFKSA-N 2 0 261.413 2.291 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841064956 639641237 /nfs/dbraw/zinc/64/12/37/639641237.db2.gz XHGZCEKPNHJRGR-BXKDBHETSA-N 2 0 254.761 2.133 20 10 CECDRP C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C[NH3+] ZINC000841101390 639657954 /nfs/dbraw/zinc/65/79/54/639657954.db2.gz VSBSIARERROASK-JSGCOSHPSA-N 2 0 279.403 2.308 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843124317 640290720 /nfs/dbraw/zinc/29/07/20/640290720.db2.gz YCTQFEPUUIGDEU-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP Oc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843127293 640294806 /nfs/dbraw/zinc/29/48/06/640294806.db2.gz PNNVOKUQGOGKBG-CQSZACIVSA-N 2 0 260.381 2.214 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000849350083 642341050 /nfs/dbraw/zinc/34/10/50/642341050.db2.gz JYLAFEXLORFWMK-KFWWJZLASA-N 2 0 289.423 2.133 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877742879 650887958 /nfs/dbraw/zinc/88/79/58/650887958.db2.gz GWAAMDLFVFAYKH-HIFRSBDPSA-N 2 0 260.381 2.227 20 10 CECDRP COc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1O ZINC000839181499 644181039 /nfs/dbraw/zinc/18/10/39/644181039.db2.gz IZPAECPWRSEDKV-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP COc1cc(C)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000754742254 644423000 /nfs/dbraw/zinc/42/30/00/644423000.db2.gz UVMNKSSOFXGHNK-CYBMUJFWSA-N 2 0 278.396 2.093 20 10 CECDRP CN(C)c1cc(F)c(C[NH2+]CC2=CC[N@H+](C)CC2)cc1F ZINC000858155621 645077604 /nfs/dbraw/zinc/07/76/04/645077604.db2.gz LIHRWDKYYSRYKJ-UHFFFAOYSA-N 2 0 295.377 2.382 20 10 CECDRP C/C=C/C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000858291407 645108239 /nfs/dbraw/zinc/10/82/39/645108239.db2.gz XYARDNBAPCXFPP-ONEGZZNKSA-N 2 0 259.397 2.104 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000771823316 646555996 /nfs/dbraw/zinc/55/59/96/646555996.db2.gz LFOWPAFTCSOCGX-UHFFFAOYSA-N 2 0 259.397 2.034 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccco3)cc2)CC1 ZINC000771824197 646556180 /nfs/dbraw/zinc/55/61/80/646556180.db2.gz UMYIUXNMXVKGPI-UHFFFAOYSA-N 2 0 299.418 2.364 20 10 CECDRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000863544583 646752781 /nfs/dbraw/zinc/75/27/81/646752781.db2.gz YBEXQHJYKDCVSZ-ZDUSSCGKSA-N 2 0 292.423 2.158 20 10 CECDRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000863544582 646753131 /nfs/dbraw/zinc/75/31/31/646753131.db2.gz YBEXQHJYKDCVSZ-CYBMUJFWSA-N 2 0 292.423 2.158 20 10 CECDRP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1O ZINC000863546281 646754097 /nfs/dbraw/zinc/75/40/97/646754097.db2.gz KTZWPJRQXNKLQH-JTQLQIEISA-N 2 0 272.776 2.062 20 10 CECDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000873222254 649596244 /nfs/dbraw/zinc/59/62/44/649596244.db2.gz IQRPRMQXOJSOJV-LBPRGKRZSA-N 2 0 260.381 2.099 20 10 CECDRP COCCC1([NH2+]Cc2ccc(OC)c(C)c2)CC[NH2+]CC1 ZINC000873225245 649598806 /nfs/dbraw/zinc/59/88/06/649598806.db2.gz WFMUFJHZSVAEKT-UHFFFAOYSA-N 2 0 292.423 2.252 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000873228957 649600515 /nfs/dbraw/zinc/60/05/15/649600515.db2.gz KXYGTEARYVXMTP-GOEBONIOSA-N 2 0 260.381 2.050 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2c1c(F)ccc2O ZINC000873255741 649611825 /nfs/dbraw/zinc/61/18/25/649611825.db2.gz HRGDXMLYXKFHRT-QFOLPQNPSA-N 2 0 264.344 2.407 20 10 CECDRP CCN1CCC([N@H+](C)Cc2cccc(OC)c2O)CC1 ZINC000131572542 652437545 /nfs/dbraw/zinc/43/75/45/652437545.db2.gz BKEVSABMAPXZHY-UHFFFAOYSA-N 2 0 278.396 2.317 20 10 CECDRP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1N(C)C ZINC001205101727 807633648 /nfs/dbraw/zinc/63/36/48/807633648.db2.gz JZNXTZCPODIZCR-HNNXBMFYSA-N 2 0 261.413 2.374 20 10 CECDRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205124520 807722079 /nfs/dbraw/zinc/72/20/79/807722079.db2.gz UAXZVPLILHJENN-GFCCVEGCSA-N 2 0 264.369 2.022 20 10 CECDRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000700813998 809356467 /nfs/dbraw/zinc/35/64/67/809356467.db2.gz SPHBZVPBDNOUPT-HNNXBMFYSA-N 2 0 274.408 2.443 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000702581057 809567232 /nfs/dbraw/zinc/56/72/32/809567232.db2.gz VMLHMVBDINKZLW-CALCHBBNSA-N 2 0 273.424 2.184 20 10 CECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1O ZINC000923503698 810105869 /nfs/dbraw/zinc/10/58/69/810105869.db2.gz LDNFUURRVMDTAZ-CMPLNLGQSA-N 2 0 294.370 2.151 20 10 CECDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000381928106 811114229 /nfs/dbraw/zinc/11/42/29/811114229.db2.gz WFTSTMKFPCCEJP-WFASDCNBSA-N 2 0 264.344 2.092 20 10 CECDRP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC001169111355 811404482 /nfs/dbraw/zinc/40/44/82/811404482.db2.gz OVWCMGBWMAGQGO-QKDCVEJESA-N 2 0 260.381 2.415 20 10 CECDRP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140623199 816306687 /nfs/dbraw/zinc/30/66/87/816306687.db2.gz KMESMNKLCOTSNI-HOTGVXAUSA-N 2 0 274.408 2.474 20 10 CECDRP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140624338 816307752 /nfs/dbraw/zinc/30/77/52/816307752.db2.gz RJLPUZRKRLMOKZ-GASCZTMLSA-N 2 0 260.381 2.084 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1O ZINC001206292777 816519326 /nfs/dbraw/zinc/51/93/26/816519326.db2.gz DMRKDFMXUTVMLT-MRXNPFEDSA-N 2 0 278.396 2.352 20 10 CECDRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000155688226 261105999 /nfs/dbraw/zinc/10/59/99/261105999.db2.gz LEBVTBTZWHBWSI-GOEBONIOSA-N 2 0 291.439 2.069 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185008490 262037488 /nfs/dbraw/zinc/03/74/88/262037488.db2.gz MXMHEESFVCROCF-AWEZNQCLSA-N 2 0 280.412 2.320 20 10 CECDRP C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cc(F)ccc1O ZINC000185142731 262044080 /nfs/dbraw/zinc/04/40/80/262044080.db2.gz HOVKWAVECDYEBU-ZYHUDNBSSA-N 2 0 252.333 2.276 20 10 CECDRP Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000226584536 333265553 /nfs/dbraw/zinc/26/55/53/333265553.db2.gz XKPKCSLBUWOYIG-NSHDSACASA-N 2 0 264.344 2.105 20 10 CECDRP C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C[NH+](C)C ZINC000310777875 627280489 /nfs/dbraw/zinc/28/04/89/627280489.db2.gz DZGUYMCKWAZKBY-MNOVXSKESA-N 2 0 254.349 2.380 20 10 CECDRP CCn1cc[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840886303 627345723 /nfs/dbraw/zinc/34/57/23/627345723.db2.gz BBSIVEMRDDOWBP-UHFFFAOYSA-N 2 0 299.422 2.267 20 10 CECDRP CN(C)c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257721793 628613984 /nfs/dbraw/zinc/61/39/84/628613984.db2.gz VRDRNBNXKXDOGN-MRXNPFEDSA-N 2 0 259.397 2.081 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894190131 629197105 /nfs/dbraw/zinc/19/71/05/629197105.db2.gz JSBFTBRDTITEQY-CYBMUJFWSA-N 2 0 278.396 2.141 20 10 CECDRP Oc1ccc(F)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843126817 631748183 /nfs/dbraw/zinc/74/81/83/631748183.db2.gz NFDPJEVILQBSOC-UHFFFAOYSA-N 2 0 264.344 2.107 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000843129234 631771482 /nfs/dbraw/zinc/77/14/82/631771482.db2.gz OEEQVDNNUHVJCN-QWRGUYRKSA-N 2 0 252.358 2.006 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841037516 632034852 /nfs/dbraw/zinc/03/48/52/632034852.db2.gz UYURHSKGFQEORP-CQSZACIVSA-N 2 0 261.413 2.150 20 10 CECDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902325 633763939 /nfs/dbraw/zinc/76/39/39/633763939.db2.gz NSXZFWKSCKEYAM-SWLSCSKDSA-N 2 0 260.381 2.099 20 10 CECDRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000817939330 633788846 /nfs/dbraw/zinc/78/88/46/633788846.db2.gz CTHXWOBYAPSCLW-CYBMUJFWSA-N 2 0 261.413 2.403 20 10 CECDRP CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC[NH2+]CC1 ZINC000817965251 633806910 /nfs/dbraw/zinc/80/69/10/633806910.db2.gz RZDPPBZHABRWCW-CYBMUJFWSA-N 2 0 260.381 2.359 20 10 CECDRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000817972403 633815810 /nfs/dbraw/zinc/81/58/10/633815810.db2.gz WVJRJMVXTJUGLR-WWGRRREGSA-N 2 0 261.413 2.401 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000817987591 633828738 /nfs/dbraw/zinc/82/87/38/633828738.db2.gz UNMIOBBGBFSKIH-REWJHTLYSA-N 2 0 290.407 2.440 20 10 CECDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904356334 635587575 /nfs/dbraw/zinc/58/75/75/635587575.db2.gz VZXUYUPFAIISEI-SWLSCSKDSA-N 2 0 260.381 2.099 20 10 CECDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000904406392 635613448 /nfs/dbraw/zinc/61/34/48/635613448.db2.gz SBKMIGWYMOXCKX-SECBINFHSA-N 2 0 272.751 2.355 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087471 637566363 /nfs/dbraw/zinc/56/63/63/637566363.db2.gz OECNJXWKJWMIEP-HIFRSBDPSA-N 2 0 290.407 2.365 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044534965 639322195 /nfs/dbraw/zinc/32/21/95/639322195.db2.gz RIDCNRAHBOMUQX-CHWSQXEVSA-N 2 0 278.396 2.393 20 10 CECDRP CCC([NH3+])(CC)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841030355 639622870 /nfs/dbraw/zinc/62/28/70/639622870.db2.gz FQEKIZPIQMBZFF-UHFFFAOYSA-N 2 0 291.439 2.130 20 10 CECDRP CCOCc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000841033012 639625420 /nfs/dbraw/zinc/62/54/20/639625420.db2.gz MBRYQJIMUVGVLO-OAHLLOKOSA-N 2 0 292.423 2.321 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1O ZINC000841058658 639636214 /nfs/dbraw/zinc/63/62/14/639636214.db2.gz UXHUFAKONRKDOE-ZDUSSCGKSA-N 2 0 264.369 2.023 20 10 CECDRP CC1([NH2+]Cc2cc(Br)ccc2O)CC[NH2+]CC1 ZINC000841064770 639640039 /nfs/dbraw/zinc/64/00/39/639640039.db2.gz JJATVIOXRLIYCL-UHFFFAOYSA-N 2 0 299.212 2.386 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1F ZINC000841072352 639643839 /nfs/dbraw/zinc/64/38/39/639643839.db2.gz IYQOCKWUPLEKEZ-HNNXBMFYSA-N 2 0 279.403 2.369 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000841083262 639649189 /nfs/dbraw/zinc/64/91/89/639649189.db2.gz ADYBKTAOQAIBAD-AAEUAGOBSA-N 2 0 265.376 2.109 20 10 CECDRP Oc1ccc(Br)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841093871 639655830 /nfs/dbraw/zinc/65/58/30/639655830.db2.gz VLAPQRWQNIAGGS-UHFFFAOYSA-N 2 0 299.212 2.386 20 10 CECDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052448 640254212 /nfs/dbraw/zinc/25/42/12/640254212.db2.gz UEPDNEDXDGHJQW-TZMCWYRMSA-N 2 0 279.403 2.451 20 10 CECDRP CCN(CC)c1ccc(CN2CCC[C@H]2C[NH3+])cc1 ZINC000843054288 640257768 /nfs/dbraw/zinc/25/77/68/640257768.db2.gz JCOIJXRXKOQPKK-INIZCTEOSA-N 2 0 261.413 2.456 20 10 CECDRP CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(O)c1 ZINC000843056691 640258636 /nfs/dbraw/zinc/25/86/36/640258636.db2.gz WOILQGGMQNYQJP-UHFFFAOYSA-N 2 0 266.385 2.208 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000843113605 640285639 /nfs/dbraw/zinc/28/56/39/640285639.db2.gz YMNRZWZEMCHKPY-CYBMUJFWSA-N 2 0 279.403 2.453 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843124846 640290685 /nfs/dbraw/zinc/29/06/85/640290685.db2.gz JCJJIAVCWCKWFX-ZIAGYGMSSA-N 2 0 290.407 2.222 20 10 CECDRP COc1cccc([C@H](C)[NH2+]CCCC[NH+](C)C)c1O ZINC000846141726 641198921 /nfs/dbraw/zinc/19/89/21/641198921.db2.gz NAEGLFBEUPKLNF-LBPRGKRZSA-N 2 0 266.385 2.393 20 10 CECDRP COc1cccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1O ZINC000846142346 641199225 /nfs/dbraw/zinc/19/92/25/641199225.db2.gz RROJXYKURJRRJR-NEPJUHHUSA-N 2 0 266.385 2.392 20 10 CECDRP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000846147747 641202137 /nfs/dbraw/zinc/20/21/37/641202137.db2.gz VIPDQCYIWSDLIL-QWHCGFSZSA-N 2 0 278.396 2.393 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1N(C)C ZINC000923358690 643677401 /nfs/dbraw/zinc/67/74/01/643677401.db2.gz KNZWGMMFQFLJTA-JKSUJKDBSA-N 2 0 273.424 2.245 20 10 CECDRP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)ccc1N(C)C ZINC000923423628 643703936 /nfs/dbraw/zinc/70/39/36/643703936.db2.gz YBCHCOISJFJVRY-LSDHHAIUSA-N 2 0 261.413 2.276 20 10 CECDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ccc2O)C1 ZINC000839183148 644182499 /nfs/dbraw/zinc/18/24/99/644182499.db2.gz UTANGRJFQSMAQC-GFCCVEGCSA-N 2 0 266.360 2.353 20 10 CECDRP CCN(CC)c1ccc(C[N@H+](C)CCOCC[NH3+])cc1F ZINC000863651289 646777016 /nfs/dbraw/zinc/77/70/16/646777016.db2.gz IQKQCOVQZAJCFP-UHFFFAOYSA-N 2 0 297.418 2.079 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000863650769 646777174 /nfs/dbraw/zinc/77/71/74/646777174.db2.gz CPBOTIWWZGELIH-HDICACEKSA-N 2 0 287.451 2.492 20 10 CECDRP CN(C)c1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228360 649599080 /nfs/dbraw/zinc/59/90/80/649599080.db2.gz DCLDXVDNYXWEOI-HOTGVXAUSA-N 2 0 259.397 2.127 20 10 CECDRP CCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000020190172 649735817 /nfs/dbraw/zinc/73/58/17/649735817.db2.gz DKWWBKAUEHCPKT-UHFFFAOYSA-N 2 0 278.396 2.365 20 10 CECDRP COc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1O ZINC000132799475 652555635 /nfs/dbraw/zinc/55/56/35/652555635.db2.gz SSFXBIOQBQYTTE-UHFFFAOYSA-N 2 0 278.396 2.174 20 10 CECDRP C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1[NH3+] ZINC000300093540 802392786 /nfs/dbraw/zinc/39/27/86/802392786.db2.gz WGRFWTOEVHHUFK-IAQYHMDHSA-N 2 0 256.349 2.324 20 10 CECDRP CCc1cccc(C[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000691516446 811990939 /nfs/dbraw/zinc/99/09/39/811990939.db2.gz XVAKJJCOOORHBQ-LBPRGKRZSA-N 2 0 259.353 2.329 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397429066 813617927 /nfs/dbraw/zinc/61/79/27/813617927.db2.gz ZGPBRDAQVYQUNI-BZPMIXESSA-N 2 0 278.396 2.206 20 10 CECDRP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000290311749 283224598 /nfs/dbraw/zinc/22/45/98/283224598.db2.gz CDZMXRWHNIIRHL-UHFFFAOYSA-N 2 0 294.395 2.285 20 10 CECDRP CC(C)[NH+]1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226583613 370347537 /nfs/dbraw/zinc/34/75/37/370347537.db2.gz PAQWYQYNXZLKKS-UHFFFAOYSA-N 2 0 266.360 2.494 20 10 CECDRP CC[N@H+](CCC[NH+](C)C)Cc1cccc(C)c1O ZINC000230744774 370466435 /nfs/dbraw/zinc/46/64/35/370466435.db2.gz OCMGBAGWEOBZQP-UHFFFAOYSA-N 2 0 250.386 2.474 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000037644587 521717247 /nfs/dbraw/zinc/71/72/47/521717247.db2.gz ODXMMIDLHJNNSD-OAHLLOKOSA-N 2 0 262.397 2.435 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290641804 525938401 /nfs/dbraw/zinc/93/84/01/525938401.db2.gz YMXYPIUKZUZQMM-HIFRSBDPSA-N 2 0 290.407 2.317 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000841061417 632363363 /nfs/dbraw/zinc/36/33/63/632363363.db2.gz IRQSLNRGSIBEKO-DGCLKSJQSA-N 2 0 265.376 2.122 20 10 CECDRP CCOc1cccc(C[NH2+]C2(C)CC[NH2+]CC2)c1O ZINC000841064390 632379998 /nfs/dbraw/zinc/37/99/98/632379998.db2.gz FTQLHVJKSMOMBM-UHFFFAOYSA-N 2 0 264.369 2.023 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887685 633751502 /nfs/dbraw/zinc/75/15/02/633751502.db2.gz CDBBDTVYTMWYMY-UONOGXRCSA-N 2 0 293.480 2.455 20 10 CECDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902324 633764168 /nfs/dbraw/zinc/76/41/68/633764168.db2.gz NSXZFWKSCKEYAM-IUODEOHRSA-N 2 0 260.381 2.099 20 10 CECDRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817941131 633789879 /nfs/dbraw/zinc/78/98/79/633789879.db2.gz MSFXMFCROWYLGG-SNVBAGLBSA-N 2 0 252.333 2.182 20 10 CECDRP C[C@@H](NCC[NH2+]C1CC1)c1cc(Cl)ccc1O ZINC000817954555 633798999 /nfs/dbraw/zinc/79/89/99/633798999.db2.gz YQGRBIPXGUKOKJ-SECBINFHSA-N 2 0 254.761 2.448 20 10 CECDRP Nc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000817956213 633799944 /nfs/dbraw/zinc/79/99/44/633799944.db2.gz TZCPJOUWFIERLR-HOTGVXAUSA-N 2 0 259.397 2.028 20 10 CECDRP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817963441 633804931 /nfs/dbraw/zinc/80/49/31/633804931.db2.gz UXOKONIUMDJKLR-WCABBAIRSA-N 2 0 252.333 2.264 20 10 CECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]CC2C[NH2+]C2)c1O ZINC000817964755 633806261 /nfs/dbraw/zinc/80/62/61/633806261.db2.gz HAIQURYTSZJDCR-SECBINFHSA-N 2 0 299.212 2.333 20 10 CECDRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1O ZINC000817968455 633811900 /nfs/dbraw/zinc/81/19/00/633811900.db2.gz JNYDPBIILHZMTD-ZYHUDNBSSA-N 2 0 252.333 2.324 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000817970846 633814197 /nfs/dbraw/zinc/81/41/97/633814197.db2.gz GFJAMLSQVWPGJY-COPLHBTASA-N 2 0 264.369 2.049 20 10 CECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1O ZINC000817972968 633815888 /nfs/dbraw/zinc/81/58/88/633815888.db2.gz QOSBBBDICBZVED-RKDXNWHRSA-N 2 0 287.201 2.461 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1O ZINC000817975741 633818543 /nfs/dbraw/zinc/81/85/43/633818543.db2.gz AMNCNNYFAWEEAW-IINYFYTJSA-N 2 0 264.344 2.324 20 10 CECDRP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000817977120 633820012 /nfs/dbraw/zinc/82/00/12/633820012.db2.gz BRRXUFYVPBUSTP-HWNAMQAFSA-N 2 0 266.772 2.222 20 10 CECDRP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(O)c1 ZINC000817981907 633825205 /nfs/dbraw/zinc/82/52/05/633825205.db2.gz OIUGOSWZPSSULL-UONOGXRCSA-N 2 0 278.396 2.038 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000817985575 633828702 /nfs/dbraw/zinc/82/87/02/633828702.db2.gz FPCIBZVLIUYVMA-KBUPBQIOSA-N 2 0 272.392 2.357 20 10 CECDRP COc1ccc(N2CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000818616588 633960930 /nfs/dbraw/zinc/96/09/30/633960930.db2.gz YNCQGKNJBATKKH-RBSFLKMASA-N 2 0 291.439 2.237 20 10 CECDRP CCC[NH+]1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042879552 635508538 /nfs/dbraw/zinc/50/85/38/635508538.db2.gz BLKGQXZLWFTSOG-UHFFFAOYSA-N 2 0 292.379 2.085 20 10 CECDRP C[N@H+](CCC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000841002901 639613999 /nfs/dbraw/zinc/61/39/99/639613999.db2.gz HUZOLBCDYFGQPF-UHFFFAOYSA-N 2 0 261.413 2.458 20 10 CECDRP c1cc(N2CCCC2)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026884 639620389 /nfs/dbraw/zinc/62/03/89/639620389.db2.gz USXNDRLRNORMTN-UHFFFAOYSA-N 2 0 259.397 2.128 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000841030952 639622664 /nfs/dbraw/zinc/62/26/64/639622664.db2.gz PYTWKAJEYPIBEK-UKRRQHHQSA-N 2 0 279.403 2.499 20 10 CECDRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000841031977 639624030 /nfs/dbraw/zinc/62/40/30/639624030.db2.gz FIMJPERKLBCZPP-UHFFFAOYSA-N 2 0 282.387 2.413 20 10 CECDRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841047664 639631937 /nfs/dbraw/zinc/63/19/37/639631937.db2.gz AVCMIVBBEVBVDP-JTQLQIEISA-N 2 0 289.345 2.456 20 10 CECDRP CC1(C[NH2+]Cc2cc(F)ccc2O)CC[NH2+]CC1 ZINC000841056146 639634086 /nfs/dbraw/zinc/63/40/86/639634086.db2.gz CWUILGYREPZQKL-UHFFFAOYSA-N 2 0 252.333 2.011 20 10 CECDRP CN(C)c1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000841072093 639643714 /nfs/dbraw/zinc/64/37/14/639643714.db2.gz GEZXCQKFGFOSDF-OAHLLOKOSA-N 2 0 261.413 2.374 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1O ZINC000841072048 639643798 /nfs/dbraw/zinc/64/37/98/639643798.db2.gz FEBKMYSSWVUXBR-AWEZNQCLSA-N 2 0 278.396 2.269 20 10 CECDRP CCOc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(O)c1 ZINC000841081093 639649828 /nfs/dbraw/zinc/64/98/28/639649828.db2.gz UBSLJXAVZLAUIZ-GFCCVEGCSA-N 2 0 266.385 2.398 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(O)c1 ZINC000841084467 639650817 /nfs/dbraw/zinc/65/08/17/639650817.db2.gz JXFYBLWTAHDUGH-YPMHNXCESA-N 2 0 264.369 2.008 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841087121 639651826 /nfs/dbraw/zinc/65/18/26/639651826.db2.gz NBADVLLGPVCQSA-DZGCQCFKSA-N 2 0 260.381 2.356 20 10 CECDRP Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000841101722 639662646 /nfs/dbraw/zinc/66/26/46/639662646.db2.gz ZTCAASKJNFIRJK-ABAIWWIYSA-N 2 0 262.397 2.426 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000313395032 640207419 /nfs/dbraw/zinc/20/74/19/640207419.db2.gz SOJYKKGPVQKIER-DOMZBBRYSA-N 2 0 272.392 2.453 20 10 CECDRP C[NH2+]CC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000843050052 640253770 /nfs/dbraw/zinc/25/37/70/640253770.db2.gz YSTHPDCWJALRIV-UHFFFAOYSA-N 2 0 279.403 2.323 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000153745618 640630660 /nfs/dbraw/zinc/63/06/60/640630660.db2.gz BLVWCJJEVIJIKB-OAHLLOKOSA-N 2 0 293.455 2.372 20 10 CECDRP CN(C)c1ccc(/C=C/CNC2CC([NH+](C)C)C2)cc1 ZINC000848557124 642052632 /nfs/dbraw/zinc/05/26/32/642052632.db2.gz HOKYJFZYSRLEDY-AATRIKPKSA-N 2 0 273.424 2.448 20 10 CECDRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(F)ccc1O ZINC000854222654 644016237 /nfs/dbraw/zinc/01/62/37/644016237.db2.gz JLKXUJAVVAMJQX-SNVBAGLBSA-N 2 0 252.333 2.453 20 10 CECDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000126796786 650946340 /nfs/dbraw/zinc/94/63/40/650946340.db2.gz XRVWDFNPFVPVKY-VHSXEESVSA-N 2 0 254.761 2.215 20 10 CECDRP COc1cccc(O)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872251172 649329133 /nfs/dbraw/zinc/32/91/33/649329133.db2.gz HDPHWYXCYNCAFK-GFCCVEGCSA-N 2 0 278.396 2.269 20 10 CECDRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000129863160 652186350 /nfs/dbraw/zinc/18/63/50/652186350.db2.gz QMKQEDFTZGPORY-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP Oc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130180649 652225531 /nfs/dbraw/zinc/22/55/31/652225531.db2.gz JPFACPGYVSIYPX-UHFFFAOYSA-N 2 0 260.381 2.356 20 10 CECDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000723674929 802922698 /nfs/dbraw/zinc/92/26/98/802922698.db2.gz LGCKQZPHCNRCAR-SNVBAGLBSA-N 2 0 254.761 2.216 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169107697 811401281 /nfs/dbraw/zinc/40/12/81/811401281.db2.gz KHSZYFDMMOCEMC-XGBSXSJOSA-N 2 0 273.424 2.467 20 10 CECDRP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206174516 815504516 /nfs/dbraw/zinc/50/45/16/815504516.db2.gz NNPZXZFIBZWECQ-UONOGXRCSA-N 2 0 266.360 2.270 20 10 CECDRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001255946202 814026290 /nfs/dbraw/zinc/02/62/90/814026290.db2.gz SCAWNFCTKVVQCW-GFCCVEGCSA-N 2 0 296.411 2.056 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001140623207 816306899 /nfs/dbraw/zinc/30/68/99/816306899.db2.gz KXHMELZJGIAHLB-UHFFFAOYSA-N 2 0 260.381 2.228 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CCC[NH+](C)C)c1O ZINC000076274275 363533035 /nfs/dbraw/zinc/53/30/35/363533035.db2.gz GMRWYLKIPYDRMZ-UHFFFAOYSA-N 2 0 272.776 2.096 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000156093796 366827588 /nfs/dbraw/zinc/82/75/88/366827588.db2.gz CGXRPGNODYLISG-BBRMVZONSA-N 2 0 290.407 2.317 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295928554 378358421 /nfs/dbraw/zinc/35/84/21/378358421.db2.gz KBDRDXVWLSPIBH-GXTWGEPZSA-N 2 0 260.381 2.311 20 10 CECDRP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)c1 ZINC000194538529 395440287 /nfs/dbraw/zinc/44/02/87/395440287.db2.gz LZTUYEQCJBCXRX-GASCZTMLSA-N 2 0 290.407 2.174 20 10 CECDRP CN1CCc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000157433645 523996615 /nfs/dbraw/zinc/99/66/15/523996615.db2.gz QYXGIRHKZFNVIR-IAGOWNOFSA-N 2 0 285.435 2.395 20 10 CECDRP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000071408004 525350342 /nfs/dbraw/zinc/35/03/42/525350342.db2.gz JZFQEROGUYNVEQ-ZDUSSCGKSA-N 2 0 260.381 2.275 20 10 CECDRP COc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1O ZINC000060942118 526020573 /nfs/dbraw/zinc/02/05/73/526020573.db2.gz XJDZKRIYKDCNHI-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1C[NH3+] ZINC000163492840 627354137 /nfs/dbraw/zinc/35/41/37/627354137.db2.gz GQFSAHIEOFEREF-MNOVXSKESA-N 2 0 268.788 2.462 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)ccc21 ZINC000925530889 628130705 /nfs/dbraw/zinc/13/07/05/628130705.db2.gz HGPIYSWINGJQCY-IRXDYDNUSA-N 2 0 285.435 2.429 20 10 CECDRP Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000178892814 629236037 /nfs/dbraw/zinc/23/60/37/629236037.db2.gz LGQDJMKGMSOHIC-CQSZACIVSA-N 2 0 262.397 2.393 20 10 CECDRP CSC1(C[NH2+]Cc2ccccc2O)CC[NH+](C)CC1 ZINC000810170517 632190765 /nfs/dbraw/zinc/19/07/65/632190765.db2.gz MDWNHQGUSUAONT-UHFFFAOYSA-N 2 0 280.437 2.309 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000841058588 632361322 /nfs/dbraw/zinc/36/13/22/632361322.db2.gz TYVVRHWYNYRDSA-ZDUSSCGKSA-N 2 0 265.376 2.123 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000814178079 632800353 /nfs/dbraw/zinc/80/03/53/632800353.db2.gz BDIADBRDGCSSPR-KRWDZBQOSA-N 2 0 290.407 2.319 20 10 CECDRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817954681 633798504 /nfs/dbraw/zinc/79/85/04/633798504.db2.gz HAUITVBGSCROBM-KBPBESRZSA-N 2 0 261.413 2.403 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])c2c1c(F)ccc2O ZINC000817960277 633803098 /nfs/dbraw/zinc/80/30/98/633803098.db2.gz LNJFZNVVJKFKTE-PSASIEDQSA-N 2 0 252.333 2.407 20 10 CECDRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(O)c1 ZINC000817976492 633820215 /nfs/dbraw/zinc/82/02/15/633820215.db2.gz MAVAAACEGPQWON-IUODEOHRSA-N 2 0 260.381 2.493 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000817978162 633821165 /nfs/dbraw/zinc/82/11/65/633821165.db2.gz XQNRFJPOLPAGBR-WDEREUQCSA-N 2 0 252.358 2.179 20 10 CECDRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817982701 633826691 /nfs/dbraw/zinc/82/66/91/633826691.db2.gz VNUDWIDPBFUMDX-JSGCOSHPSA-N 2 0 298.814 2.465 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1c(O)cccc1Cl ZINC000903974204 635392919 /nfs/dbraw/zinc/39/29/19/635392919.db2.gz LVDADGZFPMXGBR-GHMZBOCLSA-N 2 0 268.788 2.381 20 10 CECDRP C[C@]1(CN2CCCc3cc(C[NH3+])ccc32)CCC[NH2+]C1 ZINC000904300969 635553634 /nfs/dbraw/zinc/55/36/34/635553634.db2.gz COZLCQFIJZZOOQ-KRWDZBQOSA-N 2 0 273.424 2.288 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088528 637698033 /nfs/dbraw/zinc/69/80/33/637698033.db2.gz YWKVVVPXWFGMFB-WFASDCNBSA-N 2 0 278.371 2.495 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000840915580 639584675 /nfs/dbraw/zinc/58/46/75/639584675.db2.gz RETFAQDWXMBZCV-HNNXBMFYSA-N 2 0 275.440 2.445 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000841029085 639621281 /nfs/dbraw/zinc/62/12/81/639621281.db2.gz FUYCULKQGLITGC-GXTWGEPZSA-N 2 0 265.376 2.109 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1O ZINC000841033162 639625455 /nfs/dbraw/zinc/62/54/55/639625455.db2.gz NWUVVSNSRPTJHU-SNVBAGLBSA-N 2 0 284.787 2.143 20 10 CECDRP CN(C)c1ccc(/C=C/CNCC2([NH3+])CCC2)cc1 ZINC000841049480 639632663 /nfs/dbraw/zinc/63/26/63/639632663.db2.gz SCLOCNBAHZACOI-HWKANZROSA-N 2 0 259.397 2.237 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000841056293 639634124 /nfs/dbraw/zinc/63/41/24/639634124.db2.gz DEXCLERHKLXAPA-UHFFFAOYSA-N 2 0 278.396 2.270 20 10 CECDRP c1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000841073713 639645037 /nfs/dbraw/zinc/64/50/37/639645037.db2.gz WHWQFZYITYBBIF-OAHLLOKOSA-N 2 0 260.381 2.243 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000841083275 639649553 /nfs/dbraw/zinc/64/95/53/639649553.db2.gz AKSYMQHCLAWDBS-HIFRSBDPSA-N 2 0 261.413 2.278 20 10 CECDRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843045381 640251603 /nfs/dbraw/zinc/25/16/03/640251603.db2.gz WANUIZNSJWVGAT-CQSZACIVSA-N 2 0 262.397 2.440 20 10 CECDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048521 640252440 /nfs/dbraw/zinc/25/24/40/640252440.db2.gz FDSFQFMWAZUSNG-OAHLLOKOSA-N 2 0 261.413 2.313 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000843053623 640255714 /nfs/dbraw/zinc/25/57/14/640255714.db2.gz OXNQUOXCSBFAHT-SWLSCSKDSA-N 2 0 278.396 2.350 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1O ZINC000843059207 640261318 /nfs/dbraw/zinc/26/13/18/640261318.db2.gz GEADEVANBDSKQG-QEJZJMRPSA-N 2 0 260.381 2.260 20 10 CECDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000843058498 640261411 /nfs/dbraw/zinc/26/14/11/640261411.db2.gz URQCBZFGUSWZJZ-WCQYABFASA-N 2 0 265.376 2.061 20 10 CECDRP CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000848563780 642056139 /nfs/dbraw/zinc/05/61/39/642056139.db2.gz XKGVLQFJWVLBOZ-XBXGTLAGSA-N 2 0 278.396 2.221 20 10 CECDRP Cc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c1 ZINC000877642689 650831199 /nfs/dbraw/zinc/83/11/99/650831199.db2.gz QXVVBHKBKAVWRI-INIZCTEOSA-N 2 0 292.423 2.243 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000854222655 644015161 /nfs/dbraw/zinc/01/51/61/644015161.db2.gz JLPAVCHXYNWXOH-LLVKDONJSA-N 2 0 264.369 2.323 20 10 CECDRP C[C@H](NCC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1O ZINC000854225950 644016722 /nfs/dbraw/zinc/01/67/22/644016722.db2.gz CAJZZGVFMYAQGU-IPWFMCSPSA-N 2 0 266.772 2.448 20 10 CECDRP CC(C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775638276 646975300 /nfs/dbraw/zinc/97/53/00/646975300.db2.gz HDLVMSFJDMTPOA-UHFFFAOYSA-N 2 0 261.413 2.279 20 10 CECDRP CC[NH2+]CC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000129887240 652189936 /nfs/dbraw/zinc/18/99/36/652189936.db2.gz SZCIDRHUSCOQBB-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP CCc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000691522020 812000478 /nfs/dbraw/zinc/00/04/78/812000478.db2.gz JQDXSVMAJGYXTI-UHFFFAOYSA-N 2 0 262.397 2.386 20 10 CECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CC=CC3)cc2)CC1 ZINC001140300788 816227226 /nfs/dbraw/zinc/22/72/26/816227226.db2.gz UFTATLLUMAVFMA-UHFFFAOYSA-N 2 0 271.408 2.200 20 10 CECDRP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141163087 816492990 /nfs/dbraw/zinc/49/29/90/816492990.db2.gz ONTCXQOKGPKSOT-UHFFFAOYSA-N 2 0 299.374 2.123 20 10 CECDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883685 377331255 /nfs/dbraw/zinc/33/12/55/377331255.db2.gz YADHWHFQKAXLAA-HNNXBMFYSA-N 2 0 264.344 2.059 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000049553250 394549430 /nfs/dbraw/zinc/54/94/30/394549430.db2.gz GGRPWUHBVLYWTI-NEPJUHHUSA-N 2 0 266.385 2.392 20 10 CECDRP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000093597857 394667250 /nfs/dbraw/zinc/66/72/50/394667250.db2.gz IQBAQUIOIIGRLG-CQSZACIVSA-N 2 0 290.407 2.319 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185008852 262038187 /nfs/dbraw/zinc/03/81/87/262038187.db2.gz XKJGCELCPGDFKY-CQSZACIVSA-N 2 0 280.412 2.320 20 10 CECDRP C[C@H]([NH2+]C[C@H]1CCCN1C)c1cc(F)ccc1O ZINC000185142713 262043450 /nfs/dbraw/zinc/04/34/50/262043450.db2.gz HOVKWAVECDYEBU-CMPLNLGQSA-N 2 0 252.333 2.276 20 10 CECDRP COc1ccc(O)c(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000224539943 333222383 /nfs/dbraw/zinc/22/23/83/333222383.db2.gz XYNNFWOHVLDNBZ-UHFFFAOYSA-N 2 0 266.385 2.221 20 10 CECDRP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292739418 524408761 /nfs/dbraw/zinc/40/87/61/524408761.db2.gz HDKIHFZTGGKGNZ-MRXNPFEDSA-N 2 0 260.381 2.228 20 10 CECDRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000738227717 574855226 /nfs/dbraw/zinc/85/52/26/574855226.db2.gz OMPATSILXQTHCA-ZDUSSCGKSA-N 2 0 285.391 2.324 20 10 CECDRP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC000902472492 634664624 /nfs/dbraw/zinc/66/46/24/634664624.db2.gz BAZURWOLPHESJN-RUAUBTSSSA-N 2 0 259.397 2.296 20 10 CECDRP COc1ccc(N2CCC([NH2+]CC3([NH3+])CCC3)CC2)cc1 ZINC000841049857 632353274 /nfs/dbraw/zinc/35/32/74/632353274.db2.gz WUMZCRXYUNLTMQ-UHFFFAOYSA-N 2 0 289.423 2.135 20 10 CECDRP Cc1cc(Cl)cc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057593 632360517 /nfs/dbraw/zinc/36/05/17/632360517.db2.gz AKYCVDOINXCSKC-ZANVPECISA-N 2 0 268.788 2.442 20 10 CECDRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1O ZINC000817937522 633787423 /nfs/dbraw/zinc/78/74/23/633787423.db2.gz XGPXPUZRCIESMW-SECBINFHSA-N 2 0 254.761 2.448 20 10 CECDRP C[C@H]([NH2+]CCC[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817938931 633788531 /nfs/dbraw/zinc/78/85/31/633788531.db2.gz VVLJCDQSHUANAE-LBPRGKRZSA-N 2 0 297.830 2.176 20 10 CECDRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817953920 633798935 /nfs/dbraw/zinc/79/89/35/633798935.db2.gz WIYPSMJBWYWPSZ-QWHCGFSZSA-N 2 0 295.402 2.050 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000817966869 633810300 /nfs/dbraw/zinc/81/03/00/633810300.db2.gz XFKMNWZYEBMCJH-MLGOLLRUSA-N 2 0 278.396 2.441 20 10 CECDRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000817971955 633815084 /nfs/dbraw/zinc/81/50/84/633815084.db2.gz RYTYBINHEHKXRS-NRUUGDAUSA-N 2 0 252.333 2.180 20 10 CECDRP CN(C)c1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000903939145 635348337 /nfs/dbraw/zinc/34/83/37/635348337.db2.gz RNPNSUWQCIXIGY-UHFFFAOYSA-N 2 0 253.365 2.109 20 10 CECDRP CCC1([NH3+])CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000903946022 635377360 /nfs/dbraw/zinc/37/73/60/635377360.db2.gz DWQFSHDSZOGAPO-UHFFFAOYSA-N 2 0 294.395 2.113 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904405774 635612265 /nfs/dbraw/zinc/61/22/65/635612265.db2.gz PJXSRYFGRXNGFS-QGZUEGPWSA-N 2 0 273.424 2.437 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407733 635615376 /nfs/dbraw/zinc/61/53/76/635615376.db2.gz ZXLVJDRNOOYBED-CQSZACIVSA-N 2 0 261.413 2.232 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+][C@H]1CCn3ccnc3C1)CC2 ZINC000834773552 637947065 /nfs/dbraw/zinc/94/70/65/637947065.db2.gz GUVVNMXSTVWCBF-QWHCGFSZSA-N 2 0 269.348 2.181 20 10 CECDRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1C ZINC000044516749 639322053 /nfs/dbraw/zinc/32/20/53/639322053.db2.gz AXJADIQLKUGMRT-UHFFFAOYSA-N 2 0 262.397 2.435 20 10 CECDRP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876940796 650497027 /nfs/dbraw/zinc/49/70/27/650497027.db2.gz XTQMKNTZOYPKSY-ZIAGYGMSSA-N 2 0 260.381 2.417 20 10 CECDRP Cc1cc(O)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000841033159 639625293 /nfs/dbraw/zinc/62/52/93/639625293.db2.gz NSHGDJJKIVOZHS-NSHDSACASA-N 2 0 268.788 2.443 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841062681 639638263 /nfs/dbraw/zinc/63/82/63/639638263.db2.gz CKEIOHSLYAAIEM-GXFFZTMASA-N 2 0 268.788 2.442 20 10 CECDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841064958 639641354 /nfs/dbraw/zinc/64/13/54/639641354.db2.gz XHGZCEKPNHJRGR-JOYOIKCWSA-N 2 0 254.761 2.133 20 10 CECDRP C[C@H](CCC[NH3+])[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841081712 639649854 /nfs/dbraw/zinc/64/98/54/639649854.db2.gz XGRJHUXRBKHSDO-HZRUHFOJSA-N 2 0 261.413 2.483 20 10 CECDRP COc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1O ZINC000843127086 640293285 /nfs/dbraw/zinc/29/32/85/640293285.db2.gz OJCAFKFURUUSNK-CQSZACIVSA-N 2 0 290.407 2.222 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000843129935 640296301 /nfs/dbraw/zinc/29/63/01/640296301.db2.gz UXUMSKDFABPWLG-IUCAKERBSA-N 2 0 287.201 2.370 20 10 CECDRP COc1ccc(O)c(C[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000845995836 641146988 /nfs/dbraw/zinc/14/69/88/641146988.db2.gz HKUZMNPPMWECFS-UHFFFAOYSA-N 2 0 280.412 2.468 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1O ZINC000846170248 641211687 /nfs/dbraw/zinc/21/16/87/641211687.db2.gz MVPDPCQLGCXWCC-VXGBXAGGSA-N 2 0 266.385 2.249 20 10 CECDRP Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(O)c1 ZINC000877623359 650818579 /nfs/dbraw/zinc/81/85/79/650818579.db2.gz NGCNAMDADYRGOV-HNNXBMFYSA-N 2 0 293.455 2.062 20 10 CECDRP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1N(C)C ZINC000923331449 643660792 /nfs/dbraw/zinc/66/07/92/643660792.db2.gz MBXWYTNUCWKCGS-UKRRQHHQSA-N 2 0 261.413 2.230 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1N(C)C ZINC000923356837 643679537 /nfs/dbraw/zinc/67/95/37/643679537.db2.gz VBOYIOGMZJXBEH-INIZCTEOSA-N 2 0 261.413 2.232 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C ZINC000857226757 644859152 /nfs/dbraw/zinc/85/91/52/644859152.db2.gz YWDFBBPBNKHWFB-GDBMZVCRSA-N 2 0 260.381 2.322 20 10 CECDRP COc1cccc(O)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000769327579 646246179 /nfs/dbraw/zinc/24/61/79/646246179.db2.gz CMMHMNSUHWIQMO-UHFFFAOYSA-N 2 0 278.396 2.174 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873261748 649615160 /nfs/dbraw/zinc/61/51/60/649615160.db2.gz RFFOTKQNZQHJRF-ATGSNQNLSA-N 2 0 272.392 2.500 20 10 CECDRP c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001118180541 814990971 /nfs/dbraw/zinc/99/09/71/814990971.db2.gz KEDWNINYEMMZGN-FUHWJXTLSA-N 2 0 285.435 2.471 20 10 CECDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000083551953 363780195 /nfs/dbraw/zinc/78/01/95/363780195.db2.gz FFWANYUIQZTHRI-HUUCEWRRSA-N 2 0 260.381 2.417 20 10 CECDRP C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCC[NH+](C)C1 ZINC000179938717 368360419 /nfs/dbraw/zinc/36/04/19/368360419.db2.gz QBDLKILEQXGTSS-LBPRGKRZSA-N 2 0 266.360 2.305 20 10 CECDRP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000191181524 369687998 /nfs/dbraw/zinc/68/79/98/369687998.db2.gz GTTGTFSAYUBDTA-SECBINFHSA-N 2 0 258.312 2.273 20 10 CECDRP COc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1O ZINC000227328865 370366463 /nfs/dbraw/zinc/36/64/63/370366463.db2.gz BVBBOKNPGMHUPE-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371526824 373911828 /nfs/dbraw/zinc/91/18/28/373911828.db2.gz FXFOSJVIYPCMQN-IJEWVQPXSA-N 2 0 290.382 2.447 20 10 CECDRP CN1CCc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc21 ZINC000322843087 376833485 /nfs/dbraw/zinc/83/34/85/376833485.db2.gz LDRYPKZCPFLXRT-ALOPSCKCSA-N 2 0 285.435 2.394 20 10 CECDRP Oc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179578541 395197041 /nfs/dbraw/zinc/19/70/41/395197041.db2.gz RJSOYCUJRLRVGB-CQSZACIVSA-N 2 0 260.381 2.310 20 10 CECDRP CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000038051771 174063346 /nfs/dbraw/zinc/06/33/46/174063346.db2.gz ATICQWCCPMAHBG-UHFFFAOYSA-N 2 0 260.381 2.195 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185008470 262038166 /nfs/dbraw/zinc/03/81/66/262038166.db2.gz MXMHEESFVCROCF-CQSZACIVSA-N 2 0 280.412 2.320 20 10 CECDRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423086767 330168920 /nfs/dbraw/zinc/16/89/20/330168920.db2.gz NZSLPZGLBNTMTE-LBPRGKRZSA-N 2 0 257.381 2.184 20 10 CECDRP Oc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226585184 333265570 /nfs/dbraw/zinc/26/55/70/333265570.db2.gz DNUTZQRRQBOVKY-UONOGXRCSA-N 2 0 264.344 2.248 20 10 CECDRP CCCN(c1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](CCOC)C1 ZINC000278357591 521697027 /nfs/dbraw/zinc/69/70/27/521697027.db2.gz JIBFBXHVGBINPP-KRWDZBQOSA-N 2 0 291.439 2.082 20 10 CECDRP CN1CCc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000157433804 523997461 /nfs/dbraw/zinc/99/74/61/523997461.db2.gz QYXGIRHKZFNVIR-DLBZAZTESA-N 2 0 285.435 2.395 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000840933102 628750403 /nfs/dbraw/zinc/75/04/03/628750403.db2.gz AIUWFIFCQZKUJU-HNNXBMFYSA-N 2 0 275.440 2.492 20 10 CECDRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000925798316 628844897 /nfs/dbraw/zinc/84/48/97/628844897.db2.gz QOLGCCABIUNGHV-IJLUTSLNSA-N 2 0 266.360 2.428 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868659 628853781 /nfs/dbraw/zinc/85/37/81/628853781.db2.gz SMFTVGVRZVSDKK-NVXWUHKLSA-N 2 0 273.424 2.469 20 10 CECDRP COc1cc(C)cc(C[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000894242326 629248706 /nfs/dbraw/zinc/24/87/06/629248706.db2.gz WGIGURBDDXVMOG-UHFFFAOYSA-N 2 0 278.396 2.141 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000843130004 631772499 /nfs/dbraw/zinc/77/24/99/631772499.db2.gz WNEMXVPWYQUVQB-LAWSMPECSA-N 2 0 261.413 2.481 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841064115 632378315 /nfs/dbraw/zinc/37/83/15/632378315.db2.gz YJFWMNFKZKOOIX-ATQQARJTSA-N 2 0 273.424 2.496 20 10 CECDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817898576 633759499 /nfs/dbraw/zinc/75/94/99/633759499.db2.gz JEBHWHKQQJBGOI-MRXNPFEDSA-N 2 0 291.439 2.130 20 10 CECDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817953923 633798693 /nfs/dbraw/zinc/79/86/93/633798693.db2.gz WIYPSMJBWYWPSZ-STQMWFEESA-N 2 0 295.402 2.050 20 10 CECDRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc2ccccc2c1O ZINC000817964704 633805984 /nfs/dbraw/zinc/80/59/84/633805984.db2.gz FMOVNMNJHRFUDN-LLVKDONJSA-N 2 0 256.349 2.415 20 10 CECDRP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817964602 633807267 /nfs/dbraw/zinc/80/72/67/633807267.db2.gz CXYNRHJLEJOMJR-NSHDSACASA-N 2 0 260.381 2.141 20 10 CECDRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Cl)ccc1O ZINC000817965652 633808252 /nfs/dbraw/zinc/80/82/52/633808252.db2.gz SSSSFBXIAVCFFB-GFCCVEGCSA-N 2 0 254.761 2.306 20 10 CECDRP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N(C)C)cc1 ZINC000817976891 633820068 /nfs/dbraw/zinc/82/00/68/633820068.db2.gz WMWIPSBYASZLFU-QXSJWSMHSA-N 2 0 259.397 2.011 20 10 CECDRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C)cc1O ZINC000817982466 633824909 /nfs/dbraw/zinc/82/49/09/633824909.db2.gz SSIJGZIHVRKEEZ-DZGCQCFKSA-N 2 0 278.396 2.120 20 10 CECDRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817985451 633828010 /nfs/dbraw/zinc/82/80/10/633828010.db2.gz KDZTXUMEKWIMCS-NSHDSACASA-N 2 0 264.344 2.492 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000818431618 633920709 /nfs/dbraw/zinc/92/07/09/633920709.db2.gz QEMZNAGYVOCSSG-CYBMUJFWSA-N 2 0 290.407 2.365 20 10 CECDRP CCOCc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1OC ZINC000841078931 635401249 /nfs/dbraw/zinc/40/12/49/635401249.db2.gz DNPDYPXXXHGZDK-CYBMUJFWSA-N 2 0 280.412 2.449 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000904411580 635619256 /nfs/dbraw/zinc/61/92/56/635619256.db2.gz NTAQGLFGESHSMC-KBPBESRZSA-N 2 0 262.397 2.426 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000841030951 639622913 /nfs/dbraw/zinc/62/29/13/639622913.db2.gz PYTWKAJEYPIBEK-HIFRSBDPSA-N 2 0 279.403 2.499 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000841033545 639625373 /nfs/dbraw/zinc/62/53/73/639625373.db2.gz UYOFIFLKIOXFNT-OICCZTGUSA-N 2 0 273.424 2.355 20 10 CECDRP Cc1cc(O)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841037593 639629038 /nfs/dbraw/zinc/62/90/38/639629038.db2.gz WBMBNMQFEIZMPZ-NSHDSACASA-N 2 0 268.788 2.443 20 10 CECDRP Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000841049185 639632723 /nfs/dbraw/zinc/63/27/23/639632723.db2.gz CJCZDTLUHIUZOX-SECBINFHSA-N 2 0 287.201 2.290 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(O)c1 ZINC000841061425 639636751 /nfs/dbraw/zinc/63/67/51/639636751.db2.gz IVJGSIFVHFZJSH-WCQYABFASA-N 2 0 264.369 2.021 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1C ZINC000841072100 639643827 /nfs/dbraw/zinc/64/38/27/639643827.db2.gz GKDCLAINZNFDNR-OAHLLOKOSA-N 2 0 262.397 2.487 20 10 CECDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841078283 639646970 /nfs/dbraw/zinc/64/69/70/639646970.db2.gz DYIQSJZDGCNMND-OAHLLOKOSA-N 2 0 291.439 2.130 20 10 CECDRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000841081242 639649566 /nfs/dbraw/zinc/64/95/66/639649566.db2.gz ZFGFTNSXWDVVHJ-HDJSIYSDSA-N 2 0 274.408 2.476 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1O ZINC000841084550 639650286 /nfs/dbraw/zinc/65/02/86/639650286.db2.gz KQASXBZLPFYHSK-DGCLKSJQSA-N 2 0 264.369 2.008 20 10 CECDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000841100092 639668857 /nfs/dbraw/zinc/66/88/57/639668857.db2.gz UKZHDDCFTGYOLX-NVXWUHKLSA-N 2 0 290.407 2.111 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000229104940 639676773 /nfs/dbraw/zinc/67/67/73/639676773.db2.gz HYQBRHYMTUHHRU-NXEZZACHSA-N 2 0 284.787 2.223 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843052486 640255789 /nfs/dbraw/zinc/25/57/89/640255789.db2.gz UPLZZGXAVSBEBT-CZUORRHYSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000843129933 640296523 /nfs/dbraw/zinc/29/65/23/640296523.db2.gz UXUMSKDFABPWLG-BDAKNGLRSA-N 2 0 287.201 2.370 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000153745472 640630770 /nfs/dbraw/zinc/63/07/70/640630770.db2.gz BLVWCJJEVIJIKB-HNNXBMFYSA-N 2 0 293.455 2.372 20 10 CECDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC000844901456 640860019 /nfs/dbraw/zinc/86/00/19/640860019.db2.gz FMAFIBLZPQYUFG-ZMSDIMECSA-N 2 0 290.407 2.111 20 10 CECDRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000844904079 640861574 /nfs/dbraw/zinc/86/15/74/640861574.db2.gz AJTUMRPHCCSFGA-UHFFFAOYSA-N 2 0 286.375 2.410 20 10 CECDRP COc1cccc([C@H](C)[NH2+]CCC[NH+](C)C)c1O ZINC000846136494 641198036 /nfs/dbraw/zinc/19/80/36/641198036.db2.gz IZKCWCGPCKMVCM-NSHDSACASA-N 2 0 252.358 2.003 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000846148339 641202962 /nfs/dbraw/zinc/20/29/62/641202962.db2.gz ZRPHAEXEQMKJGH-GFCCVEGCSA-N 2 0 278.396 2.393 20 10 CECDRP [NH3+]C[C@@H]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000877428006 650716520 /nfs/dbraw/zinc/71/65/20/650716520.db2.gz REEZAXAFAUVKRK-CYSIVNQBSA-N 2 0 299.418 2.021 20 10 CECDRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000848562938 642054974 /nfs/dbraw/zinc/05/49/74/642054974.db2.gz NBNHKCFFMUMLDW-GASCZTMLSA-N 2 0 262.397 2.433 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000849350317 642340691 /nfs/dbraw/zinc/34/06/91/642340691.db2.gz NPABNJXOCIWEJP-GJZGRUSLSA-N 2 0 291.439 2.237 20 10 CECDRP CCO[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)CN(C)C ZINC000922757501 643247594 /nfs/dbraw/zinc/24/75/94/643247594.db2.gz HELJTKVCLZUACN-OAHLLOKOSA-N 2 0 280.412 2.065 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000853247611 643721171 /nfs/dbraw/zinc/72/11/71/643721171.db2.gz VDOWUCJUFOVLMI-CQSZACIVSA-N 2 0 266.385 2.254 20 10 CECDRP Cc1cc(Br)cc(CN2CCC([NH3+])CC2)c1O ZINC000843047751 644749757 /nfs/dbraw/zinc/74/97/57/644749757.db2.gz ZQYHXYACBYVCIN-UHFFFAOYSA-N 2 0 299.212 2.386 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC000769405494 646261541 /nfs/dbraw/zinc/26/15/41/646261541.db2.gz WSAKXZASOAQDBK-ZDUSSCGKSA-N 2 0 278.396 2.174 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@H+]3CC=CCC3)cc2)CC1 ZINC000779159365 647292858 /nfs/dbraw/zinc/29/28/58/647292858.db2.gz GPZQIQAQNPXVJK-UHFFFAOYSA-N 2 0 271.408 2.200 20 10 CECDRP CCC[NH+]1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000020189709 649735680 /nfs/dbraw/zinc/73/56/80/649735680.db2.gz FWUHMAXCYWZPHL-UHFFFAOYSA-N 2 0 278.396 2.365 20 10 CECDRP COc1cc(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000708852614 809936667 /nfs/dbraw/zinc/93/66/67/809936667.db2.gz KNDCCIPKNWSAJY-MWLCHTKSSA-N 2 0 284.787 2.081 20 10 CECDRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1C ZINC001204087450 815355278 /nfs/dbraw/zinc/35/52/78/815355278.db2.gz BPGIYGHBKNOTFK-ARFHVFGLSA-N 2 0 274.408 2.433 20 10 CECDRP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206174517 815504230 /nfs/dbraw/zinc/50/42/30/815504230.db2.gz NNPZXZFIBZWECQ-ZIAGYGMSSA-N 2 0 266.360 2.270 20 10 CECDRP C[NH+](C)CCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000390403336 813263830 /nfs/dbraw/zinc/26/38/30/813263830.db2.gz IOPKTBMBOIEMJT-UHFFFAOYSA-N 2 0 262.397 2.443 20 10 CECDRP Cc1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2ccccc2n1C ZINC001138258102 815755697 /nfs/dbraw/zinc/75/56/97/815755697.db2.gz LPDHPPAUADTBKK-GASCZTMLSA-N 2 0 283.419 2.480 20 10 CECDRP C[N@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001140466150 816262684 /nfs/dbraw/zinc/26/26/84/816262684.db2.gz YXDLTOKSUKRXPL-TXEJJXNPSA-N 2 0 266.772 2.039 20 10 CECDRP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)c(C)c1O ZINC001140750199 816343185 /nfs/dbraw/zinc/34/31/85/816343185.db2.gz XJSIBZHJKGFHOT-UHFFFAOYSA-N 2 0 266.385 2.180 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000273472223 373759526 /nfs/dbraw/zinc/75/95/26/373759526.db2.gz JZGBHMLBYYKNSL-GFCCVEGCSA-N 2 0 276.380 2.313 20 10 CECDRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1O ZINC000155740067 261106588 /nfs/dbraw/zinc/10/65/88/261106588.db2.gz JECCOCMWKMKBRY-ZBFHGGJFSA-N 2 0 291.439 2.069 20 10 CECDRP C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cc(F)ccc1O ZINC000185142675 262043607 /nfs/dbraw/zinc/04/36/07/262043607.db2.gz HOVKWAVECDYEBU-JQWIXIFHSA-N 2 0 252.333 2.276 20 10 CECDRP CC[NH+]1CCC(C[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000044517499 624461430 /nfs/dbraw/zinc/46/14/30/624461430.db2.gz CROZXBMGNRWXPU-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000843130091 631774298 /nfs/dbraw/zinc/77/42/98/631774298.db2.gz WQZBNPNPYYFOEL-IUCAKERBSA-N 2 0 287.201 2.370 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000841058499 632361421 /nfs/dbraw/zinc/36/14/21/632361421.db2.gz SANLXSAWVBVTAH-LSDHHAIUSA-N 2 0 261.413 2.421 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000841058334 632361532 /nfs/dbraw/zinc/36/15/32/632361532.db2.gz VTWGBWQZFKMPAP-INIZCTEOSA-N 2 0 261.413 2.232 20 10 CECDRP C[C@H]1C[C@@H](NCc2c(O)cccc2Cl)CC[NH2+]1 ZINC000841061606 632363636 /nfs/dbraw/zinc/36/36/36/632363636.db2.gz LNLHBYBOGBKJGO-UWVGGRQHSA-N 2 0 254.761 2.276 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000841064066 632378194 /nfs/dbraw/zinc/37/81/94/632378194.db2.gz OTHINFJJXNDYEI-MFKMUULPSA-N 2 0 268.788 2.442 20 10 CECDRP Cc1cc(C)c([C@H](C)[NH2+]CCOCC[NH+](C)C)c(O)c1 ZINC000815619711 633040151 /nfs/dbraw/zinc/04/01/51/633040151.db2.gz WALKUCXZCWCQSX-AWEZNQCLSA-N 2 0 280.412 2.238 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000817896866 633757848 /nfs/dbraw/zinc/75/78/48/633757848.db2.gz XLYXHLMFHRJDPQ-UHFFFAOYSA-N 2 0 261.413 2.360 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000817903502 633763953 /nfs/dbraw/zinc/76/39/53/633763953.db2.gz QBESFDDPOUIGSD-KBPBESRZSA-N 2 0 291.439 2.379 20 10 CECDRP Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000817956214 633799813 /nfs/dbraw/zinc/79/98/13/633799813.db2.gz TZCPJOUWFIERLR-HZPDHXFCSA-N 2 0 259.397 2.028 20 10 CECDRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1O ZINC000817964552 633805842 /nfs/dbraw/zinc/80/58/42/633805842.db2.gz CITPKBRQSITGHB-MRVPVSSYSA-N 2 0 285.185 2.025 20 10 CECDRP Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(O)c1 ZINC000817976493 633819697 /nfs/dbraw/zinc/81/96/97/633819697.db2.gz MAVAAACEGPQWON-SWLSCSKDSA-N 2 0 260.381 2.493 20 10 CECDRP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(O)c1C ZINC000817982241 633824942 /nfs/dbraw/zinc/82/49/42/633824942.db2.gz PSXQDRBTLFCHLM-UONOGXRCSA-N 2 0 278.396 2.038 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163389568 635165504 /nfs/dbraw/zinc/16/55/04/635165504.db2.gz SCFISVYYETWUPH-PWSUYJOCSA-N 2 0 298.814 2.471 20 10 CECDRP CCOc1ccc(O)c(C[NH+]2CCC([NH3+])(CC)CC2)c1 ZINC000903947514 635378749 /nfs/dbraw/zinc/37/87/49/635378749.db2.gz ZDCHBADIQMBEIX-UHFFFAOYSA-N 2 0 278.396 2.494 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCC[NH2+]C1 ZINC000904353024 635585764 /nfs/dbraw/zinc/58/57/64/635585764.db2.gz GKVSTLKBTVXNAT-CJNGLKHVSA-N 2 0 274.408 2.489 20 10 CECDRP CC(C)C[C@H]([NH3+])CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000841011241 639617188 /nfs/dbraw/zinc/61/71/88/639617188.db2.gz FTLKXORETCYPBM-HNNXBMFYSA-N 2 0 293.455 2.437 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000841033543 639624824 /nfs/dbraw/zinc/62/48/24/639624824.db2.gz UYOFIFLKIOXFNT-IMMZDGJCSA-N 2 0 273.424 2.355 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1O ZINC000841033086 639625655 /nfs/dbraw/zinc/62/56/55/639625655.db2.gz KGJIVTATVGTQFD-STQMWFEESA-N 2 0 278.396 2.269 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(O)c1 ZINC000841084465 639650315 /nfs/dbraw/zinc/65/03/15/639650315.db2.gz JXFYBLWTAHDUGH-DGCLKSJQSA-N 2 0 264.369 2.008 20 10 CECDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000841084522 639650779 /nfs/dbraw/zinc/65/07/79/639650779.db2.gz KFPXFGAKUOIWCZ-CABZTGNLSA-N 2 0 299.212 2.372 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(O)c1 ZINC000843051492 640255007 /nfs/dbraw/zinc/25/50/07/640255007.db2.gz JKEOGGIBAKQEGZ-OLZOCXBDSA-N 2 0 278.396 2.350 20 10 CECDRP C[C@H]([NH3+])[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843057358 640259609 /nfs/dbraw/zinc/25/96/09/640259609.db2.gz JFMDCUYRDWUUIP-QNKPMFPBSA-N 2 0 273.424 2.435 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000843060222 640262332 /nfs/dbraw/zinc/26/23/32/640262332.db2.gz YEJMOBGIXJVJQV-VBNZEHGJSA-N 2 0 290.407 2.350 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843115036 640286509 /nfs/dbraw/zinc/28/65/09/640286509.db2.gz FYUBIBCCUKIVCT-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120216 640289545 /nfs/dbraw/zinc/28/95/45/640289545.db2.gz ZQCVRPDMAGOXQN-UHFFFAOYSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1O ZINC000843126575 640293137 /nfs/dbraw/zinc/29/31/37/640293137.db2.gz KPUFJBJZWRYYMO-UHFFFAOYSA-N 2 0 260.381 2.276 20 10 CECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1O ZINC000843377580 640410109 /nfs/dbraw/zinc/41/01/09/640410109.db2.gz DIMUPFDRAYDSKN-GFCCVEGCSA-N 2 0 294.370 2.295 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844903962 640860956 /nfs/dbraw/zinc/86/09/56/640860956.db2.gz SYTXCLLLSRBZJA-UHFFFAOYSA-N 2 0 261.413 2.280 20 10 CECDRP COc1ccc(N(C)CC[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000846225759 641233026 /nfs/dbraw/zinc/23/30/26/641233026.db2.gz UIAFMHOXEFACDB-OAHLLOKOSA-N 2 0 291.439 2.063 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148695 641637156 /nfs/dbraw/zinc/63/71/56/641637156.db2.gz HMQXFSNGQPIELB-MRXNPFEDSA-N 2 0 261.413 2.456 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccnc3)cc2)CC1 ZINC000107797377 642103261 /nfs/dbraw/zinc/10/32/61/642103261.db2.gz GEWDOYRNOYGXJH-UHFFFAOYSA-N 2 0 296.418 2.123 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccoc3)cc2)CC1 ZINC000850376684 642689971 /nfs/dbraw/zinc/68/99/71/642689971.db2.gz KBBKQTXPGPAQAV-UHFFFAOYSA-N 2 0 299.418 2.364 20 10 CECDRP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1N(C)C ZINC000923331451 643662160 /nfs/dbraw/zinc/66/21/60/643662160.db2.gz MBXWYTNUCWKCGS-ZFWWWQNUSA-N 2 0 261.413 2.230 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccccc1O ZINC000757673770 644834096 /nfs/dbraw/zinc/83/40/96/644834096.db2.gz JGOLKUQBSCDHAZ-AWEZNQCLSA-N 2 0 280.412 2.401 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C ZINC000857226759 644859722 /nfs/dbraw/zinc/85/97/22/644859722.db2.gz YWDFBBPBNKHWFB-HOCLYGCPSA-N 2 0 260.381 2.322 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1C ZINC000857226758 644859940 /nfs/dbraw/zinc/85/99/40/644859940.db2.gz YWDFBBPBNKHWFB-GOEBONIOSA-N 2 0 260.381 2.322 20 10 CECDRP Cc1cnccc1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000863641428 646775195 /nfs/dbraw/zinc/77/51/95/646775195.db2.gz BRPGGGNSUHPVJL-QGZVFWFLSA-N 2 0 284.407 2.246 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001172110343 815300189 /nfs/dbraw/zinc/30/01/89/815300189.db2.gz MNNHRBIXQKJDGV-BTTYYORXSA-N 2 0 276.380 2.203 20 10 CECDRP COc1ccc(O)c(C[N@H+](C)CCCCCC[NH3+])c1 ZINC000710835659 809995570 /nfs/dbraw/zinc/99/55/70/809995570.db2.gz YISJISGSRMUSHK-UHFFFAOYSA-N 2 0 266.385 2.352 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169107696 811401969 /nfs/dbraw/zinc/40/19/69/811401969.db2.gz KHSZYFDMMOCEMC-ACHSLPGTSA-N 2 0 273.424 2.467 20 10 CECDRP COc1cc(C[N@@H+]2CCC3(CC3)C2)cc(C[NH+](C)C)c1O ZINC001139254004 812369283 /nfs/dbraw/zinc/36/92/83/812369283.db2.gz BJEPLMULGMOCED-UHFFFAOYSA-N 2 0 290.407 2.448 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206360744 816825537 /nfs/dbraw/zinc/82/55/37/816825537.db2.gz AIGLDYLORCNPLR-MRXNPFEDSA-N 2 0 295.402 2.111 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000273472224 373760381 /nfs/dbraw/zinc/76/03/81/373760381.db2.gz JZGBHMLBYYKNSL-LBPRGKRZSA-N 2 0 276.380 2.313 20 10 CECDRP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000295042082 378035948 /nfs/dbraw/zinc/03/59/48/378035948.db2.gz OVWCMGBWMAGQGO-GOOCMWNKSA-N 2 0 260.381 2.415 20 10 CECDRP Oc1ccc(F)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000226583296 263196876 /nfs/dbraw/zinc/19/68/76/263196876.db2.gz GWBPRZFLKBWHHK-UHFFFAOYSA-N 2 0 266.360 2.497 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292802294 521147272 /nfs/dbraw/zinc/14/72/72/521147272.db2.gz NSKDGNRXRTZUKA-KRWDZBQOSA-N 2 0 290.407 2.319 20 10 CECDRP C[NH+](C)CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000083552273 524052711 /nfs/dbraw/zinc/05/27/11/524052711.db2.gz LQLVICWIMNPEQP-UHFFFAOYSA-N 2 0 256.777 2.477 20 10 CECDRP COc1ccc(O)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278721403 524749097 /nfs/dbraw/zinc/74/90/97/524749097.db2.gz PRRUSEXRCBSMNZ-UHFFFAOYSA-N 2 0 290.407 2.365 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663281 524769864 /nfs/dbraw/zinc/76/98/64/524769864.db2.gz LENRUUYLIRCGBG-LBPRGKRZSA-N 2 0 266.385 2.393 20 10 CECDRP COc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040622413 623746302 /nfs/dbraw/zinc/74/63/02/623746302.db2.gz YKPFHXRGYITYGA-ZDUSSCGKSA-N 2 0 278.396 2.221 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902519208 634712095 /nfs/dbraw/zinc/71/20/95/634712095.db2.gz XYWGMOCLUSVOQX-GRDNDAEWSA-N 2 0 292.471 2.071 20 10 CECDRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(F)ccc1O ZINC000310777879 631185223 /nfs/dbraw/zinc/18/52/23/631185223.db2.gz DZGUYMCKWAZKBY-WDEREUQCSA-N 2 0 254.349 2.380 20 10 CECDRP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(O)c1 ZINC000897619966 631831816 /nfs/dbraw/zinc/83/18/16/631831816.db2.gz AOOYZCOQACSJSY-ZBFHGGJFSA-N 2 0 260.381 2.084 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620320 631832006 /nfs/dbraw/zinc/83/20/06/631832006.db2.gz MTWMPBBAJFELER-FUHWJXTLSA-N 2 0 287.451 2.445 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000841034390 631841898 /nfs/dbraw/zinc/84/18/98/631841898.db2.gz ABQBYPLWWIRYDD-QGZUEGPWSA-N 2 0 273.424 2.355 20 10 CECDRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817898575 633759070 /nfs/dbraw/zinc/75/90/70/633759070.db2.gz JEBHWHKQQJBGOI-INIZCTEOSA-N 2 0 291.439 2.130 20 10 CECDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902326 633763714 /nfs/dbraw/zinc/76/37/14/633763714.db2.gz NSXZFWKSCKEYAM-WFASDCNBSA-N 2 0 260.381 2.099 20 10 CECDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000817958471 633801928 /nfs/dbraw/zinc/80/19/28/633801928.db2.gz WHMWMAGYRYSTJE-KSSFIOAISA-N 2 0 283.419 2.359 20 10 CECDRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817977257 633819745 /nfs/dbraw/zinc/81/97/45/633819745.db2.gz FSKZVCVYUOPYIY-HJGDQZAQSA-N 2 0 252.333 2.405 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2c1c(F)ccc2O ZINC000817982504 633824421 /nfs/dbraw/zinc/82/44/21/633824421.db2.gz UFNNYIZWZVEVQT-MDZLAQPJSA-N 2 0 294.370 2.048 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC34CC4)cc2)CC1 ZINC000818230186 633890475 /nfs/dbraw/zinc/89/04/75/633890475.db2.gz OAILWZZSEBDNBE-INIZCTEOSA-N 2 0 271.408 2.081 20 10 CECDRP Nc1ccc(CC[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903917907 635366195 /nfs/dbraw/zinc/36/61/95/635366195.db2.gz ONNHOFDUMFFQHJ-UHFFFAOYSA-N 2 0 281.403 2.247 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000903960094 635369002 /nfs/dbraw/zinc/36/90/02/635369002.db2.gz WWFHJNQWXZLENW-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP C[C@@]1(CN2CCCc3cc(C[NH3+])ccc32)CCC[NH2+]C1 ZINC000904300970 635553515 /nfs/dbraw/zinc/55/35/15/635553515.db2.gz COZLCQFIJZZOOQ-QGZVFWFLSA-N 2 0 273.424 2.288 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904405771 635612435 /nfs/dbraw/zinc/61/24/35/635612435.db2.gz PJXSRYFGRXNGFS-CWDCEQMOSA-N 2 0 273.424 2.437 20 10 CECDRP C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000904410440 635616699 /nfs/dbraw/zinc/61/66/99/635616699.db2.gz DLRKRPJVPQUTQV-GHMZBOCLSA-N 2 0 268.788 2.462 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410563 635616955 /nfs/dbraw/zinc/61/69/55/635616955.db2.gz OQWIUXGPQADDIN-CABCVRRESA-N 2 0 275.440 2.478 20 10 CECDRP COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(O)cc1C ZINC000904437731 635625217 /nfs/dbraw/zinc/62/52/17/635625217.db2.gz TWTAGPZSEYGHOG-WMLDXEAASA-N 2 0 290.407 2.093 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1O ZINC000841033161 639625219 /nfs/dbraw/zinc/62/52/19/639625219.db2.gz NWUVVSNSRPTJHU-JTQLQIEISA-N 2 0 284.787 2.143 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000841058587 639635579 /nfs/dbraw/zinc/63/55/79/639635579.db2.gz TYVVRHWYNYRDSA-CYBMUJFWSA-N 2 0 265.376 2.123 20 10 CECDRP Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057345 639635608 /nfs/dbraw/zinc/63/56/08/639635608.db2.gz IZPXJSABJMYSBG-GFCCVEGCSA-N 2 0 299.212 2.386 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC000841061852 639638294 /nfs/dbraw/zinc/63/82/94/639638294.db2.gz OARFNGNAQRTRJH-CABZTGNLSA-N 2 0 254.761 2.276 20 10 CECDRP COc1ccc(O)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000841071809 639643777 /nfs/dbraw/zinc/64/37/77/639643777.db2.gz BVENNUFETBLSMQ-ZDUSSCGKSA-N 2 0 264.369 2.023 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000841079780 639648207 /nfs/dbraw/zinc/64/82/07/639648207.db2.gz NUYSZSIURKQXDE-OAHLLOKOSA-N 2 0 260.381 2.241 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000841079904 639648530 /nfs/dbraw/zinc/64/85/30/639648530.db2.gz OGELXAUJRVBKFO-GFCCVEGCSA-N 2 0 266.385 2.398 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000841084776 639650443 /nfs/dbraw/zinc/65/04/43/639650443.db2.gz PJKDHFSQXVKJCJ-OBMMGQTPSA-N 2 0 273.424 2.483 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000841090870 639653340 /nfs/dbraw/zinc/65/33/40/639653340.db2.gz OXOSVGOFOGZSKO-RHSMWYFYSA-N 2 0 275.440 2.478 20 10 CECDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000843058699 640261220 /nfs/dbraw/zinc/26/12/20/640261220.db2.gz WHAMBXSFODACND-PJFORWJISA-N 2 0 273.424 2.435 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000843059940 640262817 /nfs/dbraw/zinc/26/28/17/640262817.db2.gz VQTPVOWWXPWHGM-LZWOXQAQSA-N 2 0 291.414 2.451 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000843120196 640289414 /nfs/dbraw/zinc/28/94/14/640289414.db2.gz SAYXJWJSVZGUTF-UHFFFAOYSA-N 2 0 291.414 2.467 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C)cc1O ZINC000877333391 650678754 /nfs/dbraw/zinc/67/87/54/650678754.db2.gz UJGCNRRPYFPWIM-UHFFFAOYSA-N 2 0 280.412 2.149 20 10 CECDRP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000108098113 642226090 /nfs/dbraw/zinc/22/60/90/642226090.db2.gz RUIHHLKIMKYEFW-JKSUJKDBSA-N 2 0 272.392 2.338 20 10 CECDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923291891 643641808 /nfs/dbraw/zinc/64/18/08/643641808.db2.gz TXTLZKRIYZBSER-HNNXBMFYSA-N 2 0 261.413 2.102 20 10 CECDRP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1C ZINC000853247048 643721302 /nfs/dbraw/zinc/72/13/02/643721302.db2.gz AMDUKBAQVJQVEX-CQSZACIVSA-N 2 0 250.386 2.467 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC(C(F)F)C3)cc2)CC1 ZINC000839141035 644172040 /nfs/dbraw/zinc/17/20/40/644172040.db2.gz LOXZPRFUEZFKKV-UHFFFAOYSA-N 2 0 295.377 2.135 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000768691112 646154805 /nfs/dbraw/zinc/15/48/05/646154805.db2.gz PMUSMATVCKSKGK-AWEZNQCLSA-N 2 0 263.429 2.491 20 10 CECDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(O)ccc4ccncc43)CC[C@H]21 ZINC000872726681 649470131 /nfs/dbraw/zinc/47/01/31/649470131.db2.gz UIFRBMPCNYGTBR-RHSMWYFYSA-N 2 0 297.402 2.466 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000873215765 649593490 /nfs/dbraw/zinc/59/34/90/649593490.db2.gz GMANZZYQFNQPGI-GHMZBOCLSA-N 2 0 268.788 2.381 20 10 CECDRP C[C@H]([NH2+]Cc1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC000873222112 649596236 /nfs/dbraw/zinc/59/62/36/649596236.db2.gz AALMKXRYRBNIOX-JTQLQIEISA-N 2 0 252.333 2.009 20 10 CECDRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2c1c(F)ccc2O ZINC000873255738 649611750 /nfs/dbraw/zinc/61/17/50/649611750.db2.gz HRGDXMLYXKFHRT-GMOBBJLQSA-N 2 0 264.344 2.407 20 10 CECDRP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c(O)c1 ZINC001205017985 805948518 /nfs/dbraw/zinc/94/85/18/805948518.db2.gz QEJNFAHRFOUFJJ-CQSZACIVSA-N 2 0 262.397 2.386 20 10 CECDRP Oc1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1O ZINC001168356417 806684183 /nfs/dbraw/zinc/68/41/83/806684183.db2.gz RPCCRCMWSKLQID-UHFFFAOYSA-N 2 0 290.407 2.104 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000723907394 802966393 /nfs/dbraw/zinc/96/63/93/802966393.db2.gz BKSWXOYOHBQDTJ-UKRRQHHQSA-N 2 0 261.413 2.169 20 10 CECDRP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1CC[NH3+] ZINC000723905680 802966600 /nfs/dbraw/zinc/96/66/00/802966600.db2.gz MFSWTBRZGNLDIC-GHMZBOCLSA-N 2 0 268.788 2.462 20 10 CECDRP CCOc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1O ZINC000070183542 808189145 /nfs/dbraw/zinc/18/91/45/808189145.db2.gz SRQGOHMSFNTJJS-UHFFFAOYSA-N 2 0 278.396 2.352 20 10 CECDRP C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1c(O)cccc1Cl)C2 ZINC000702613330 809570869 /nfs/dbraw/zinc/57/08/69/809570869.db2.gz UAMANPBXKPCBFL-GASCZTMLSA-N 2 0 280.799 2.477 20 10 CECDRP COc1cc(C[N@H+](C)C(C)C)cc(C[NH+](C)C)c1O ZINC001139253582 815996767 /nfs/dbraw/zinc/99/67/67/815996767.db2.gz ZIFHSWHCAANNLM-UHFFFAOYSA-N 2 0 266.385 2.303 20 10 CECDRP C[NH+]1CCC2(C[NH+](Cc3cc(F)ccc3O)C2)CC1 ZINC001140059201 816180388 /nfs/dbraw/zinc/18/03/88/816180388.db2.gz YOGLEIKOPKQHKT-UHFFFAOYSA-N 2 0 264.344 2.059 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000179637673 368347191 /nfs/dbraw/zinc/34/71/91/368347191.db2.gz BPWKLDSTVDRWNR-ZDUSSCGKSA-N 2 0 278.396 2.174 20 10 CECDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883687 377331627 /nfs/dbraw/zinc/33/16/27/377331627.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 2 0 264.344 2.059 20 10 CECDRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296066666 378408593 /nfs/dbraw/zinc/40/85/93/378408593.db2.gz RYLJQQRKLNVUEM-YPMHNXCESA-N 2 0 257.337 2.254 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H](C)CC[NH+](C)C)c1O ZINC000228672853 394476451 /nfs/dbraw/zinc/47/64/51/394476451.db2.gz IIVWCVGAGWYJPM-SNVBAGLBSA-N 2 0 286.803 2.484 20 10 CECDRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccccc1O ZINC000155114211 261098296 /nfs/dbraw/zinc/09/82/96/261098296.db2.gz PRAYOTLGCASLST-OAHLLOKOSA-N 2 0 280.412 2.401 20 10 CECDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1O ZINC000186566980 262099871 /nfs/dbraw/zinc/09/98/71/262099871.db2.gz ANKDEIFTQFDTMM-LSDHHAIUSA-N 2 0 291.439 2.069 20 10 CECDRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000236253573 625915765 /nfs/dbraw/zinc/91/57/65/625915765.db2.gz OGVVPKCXVYEGRN-CYBMUJFWSA-N 2 0 252.333 2.235 20 10 CECDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000216020812 628768198 /nfs/dbraw/zinc/76/81/98/628768198.db2.gz MLSJHRBHVAZBOQ-UWVGGRQHSA-N 2 0 254.761 2.215 20 10 CECDRP C[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C[NH+](C)C ZINC000813785624 632733071 /nfs/dbraw/zinc/73/30/71/632733071.db2.gz FLJPFYBTZCHMQP-SECBINFHSA-N 2 0 274.767 2.472 20 10 CECDRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)ccc1O ZINC000817968452 633812135 /nfs/dbraw/zinc/81/21/35/633812135.db2.gz JNYDPBIILHZMTD-CMPLNLGQSA-N 2 0 252.333 2.324 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000817972402 633814759 /nfs/dbraw/zinc/81/47/59/633814759.db2.gz WVJRJMVXTJUGLR-HEHGZKQESA-N 2 0 261.413 2.401 20 10 CECDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1O ZINC000817981412 633825298 /nfs/dbraw/zinc/82/52/98/633825298.db2.gz JANJIQKRVWPGCO-WCQYABFASA-N 2 0 298.814 2.383 20 10 CECDRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817982700 633826205 /nfs/dbraw/zinc/82/62/05/633826205.db2.gz VNUDWIDPBFUMDX-GXTWGEPZSA-N 2 0 298.814 2.465 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000841078696 635335253 /nfs/dbraw/zinc/33/52/53/635335253.db2.gz IQIRDSFQXOIZBG-OAHLLOKOSA-N 2 0 277.387 2.123 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000903939840 635373276 /nfs/dbraw/zinc/37/32/76/635373276.db2.gz OJRXKNJTOYJGFO-AATRIKPKSA-N 2 0 261.413 2.483 20 10 CECDRP Cc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955542 635389263 /nfs/dbraw/zinc/38/92/63/635389263.db2.gz UZWVTMZRDWGEEQ-GFCCVEGCSA-N 2 0 270.323 2.035 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000903973859 635391481 /nfs/dbraw/zinc/39/14/81/635391481.db2.gz HDBPBCYOZXQXKX-TZMCWYRMSA-N 2 0 279.403 2.227 20 10 CECDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000904354125 635585396 /nfs/dbraw/zinc/58/53/96/635585396.db2.gz ARAUOTDNQGSCOX-DOMZBBRYSA-N 2 0 260.381 2.229 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412529 635620484 /nfs/dbraw/zinc/62/04/84/635620484.db2.gz VKIBZVZVSDIOPT-CHWSQXEVSA-N 2 0 278.396 2.208 20 10 CECDRP COc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1O ZINC000841080457 635826512 /nfs/dbraw/zinc/82/65/12/635826512.db2.gz QFTMTMCIFQKLNH-LLVKDONJSA-N 2 0 252.358 2.008 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827857251 636443442 /nfs/dbraw/zinc/44/34/42/636443442.db2.gz ZQTAUMAJVBSAOU-MRXNPFEDSA-N 2 0 292.423 2.243 20 10 CECDRP CCN(CC)c1ccc(C[NH2+]C2CC([NH3+])C2)cc1F ZINC000906511225 636762261 /nfs/dbraw/zinc/76/22/61/636762261.db2.gz ZJCFUKIEBFENAH-UHFFFAOYSA-N 2 0 265.376 2.251 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841085703 637403688 /nfs/dbraw/zinc/40/36/88/637403688.db2.gz BCCSQKGMBLNCIT-BBRMVZONSA-N 2 0 290.407 2.365 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000841029088 639621288 /nfs/dbraw/zinc/62/12/88/639621288.db2.gz FUYCULKQGLITGC-TZMCWYRMSA-N 2 0 265.376 2.109 20 10 CECDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841029055 639621678 /nfs/dbraw/zinc/62/16/78/639621678.db2.gz FCLNWCCFORSUBK-CABCVRRESA-N 2 0 260.381 2.229 20 10 CECDRP CCN(CC)c1ccc(CNC[C@@H]([NH3+])C2CC2)cc1F ZINC000841048908 639632305 /nfs/dbraw/zinc/63/23/05/639632305.db2.gz GOWOWOUOCRHNKV-OAHLLOKOSA-N 2 0 279.403 2.499 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]C[C@H]([NH3+])C2CC2)c1O ZINC000841051245 639633219 /nfs/dbraw/zinc/63/32/19/639633219.db2.gz XCQGTTVVLPXRJO-LBPRGKRZSA-N 2 0 254.761 2.181 20 10 CECDRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000841055257 639634649 /nfs/dbraw/zinc/63/46/49/639634649.db2.gz MQRKPOJNAATIOP-NWDGAFQWSA-N 2 0 254.761 2.405 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC000841061854 639637880 /nfs/dbraw/zinc/63/78/80/639637880.db2.gz OARFNGNAQRTRJH-SKDRFNHKSA-N 2 0 254.761 2.276 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1O ZINC000841072050 639643182 /nfs/dbraw/zinc/64/31/82/639643182.db2.gz FEBKMYSSWVUXBR-CQSZACIVSA-N 2 0 278.396 2.269 20 10 CECDRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1O ZINC000841078321 639647028 /nfs/dbraw/zinc/64/70/28/639647028.db2.gz AUOHRZYPALETQR-VIFPVBQESA-N 2 0 287.201 2.372 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000841083276 639649332 /nfs/dbraw/zinc/64/93/32/639649332.db2.gz AKSYMQHCLAWDBS-UKRRQHHQSA-N 2 0 261.413 2.278 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(O)c1 ZINC000841081094 639649869 /nfs/dbraw/zinc/64/98/69/639649869.db2.gz UBSLJXAVZLAUIZ-LBPRGKRZSA-N 2 0 266.385 2.398 20 10 CECDRP CC(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000062734226 639779686 /nfs/dbraw/zinc/77/96/86/639779686.db2.gz UUDZIMQFUBCVRX-UHFFFAOYSA-N 2 0 261.413 2.184 20 10 CECDRP Cc1cccc(O)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000877042037 650544086 /nfs/dbraw/zinc/54/40/86/650544086.db2.gz RXBUACGGMCPPKA-OAHLLOKOSA-N 2 0 292.423 2.027 20 10 CECDRP CCC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC[NH2+]CC1 ZINC000843044991 640249759 /nfs/dbraw/zinc/24/97/59/640249759.db2.gz PBLBQWABSJMDDL-UHFFFAOYSA-N 2 0 292.379 2.085 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045444 640251078 /nfs/dbraw/zinc/25/10/78/640251078.db2.gz QQGVDPCZHGIWMU-HIFRSBDPSA-N 2 0 290.407 2.365 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843047098 640251195 /nfs/dbraw/zinc/25/11/95/640251195.db2.gz NZJAGEWSGFJNDN-AWEZNQCLSA-N 2 0 261.413 2.232 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045446 640251329 /nfs/dbraw/zinc/25/13/29/640251329.db2.gz QQGVDPCZHGIWMU-ZFWWWQNUSA-N 2 0 290.407 2.365 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125189 640291820 /nfs/dbraw/zinc/29/18/20/640291820.db2.gz NRLQZEAPUYUNBL-KGLIPLIRSA-N 2 0 290.407 2.222 20 10 CECDRP COc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1O ZINC000843127083 640293149 /nfs/dbraw/zinc/29/31/49/640293149.db2.gz OJCAFKFURUUSNK-AWEZNQCLSA-N 2 0 290.407 2.222 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000843126037 640293419 /nfs/dbraw/zinc/29/34/19/640293419.db2.gz FEZDFWKHXGCKMT-HIFRSBDPSA-N 2 0 260.381 2.193 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000843342786 640395071 /nfs/dbraw/zinc/39/50/71/640395071.db2.gz ONWQFGIGBYGQFR-RBSFLKMASA-N 2 0 291.414 2.369 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000070148529 641635104 /nfs/dbraw/zinc/63/51/04/641635104.db2.gz JELFXUZHZQUUNX-CQSZACIVSA-N 2 0 278.396 2.494 20 10 CECDRP Cc1cc(O)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000848562683 642054391 /nfs/dbraw/zinc/05/43/91/642054391.db2.gz LJJNPVIRIBTTLN-OTVXOJSOSA-N 2 0 262.397 2.439 20 10 CECDRP Cc1cccc(O)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000877477673 650739881 /nfs/dbraw/zinc/73/98/81/650739881.db2.gz HHYWXFZOFWDFGU-HNNXBMFYSA-N 2 0 292.423 2.291 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000850393444 642698943 /nfs/dbraw/zinc/69/89/43/642698943.db2.gz SPIKDGNQKVDIIK-PIIMJCKOSA-N 2 0 285.435 2.327 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC000923330654 643660843 /nfs/dbraw/zinc/66/08/43/643660843.db2.gz BVDUALNLVMQQCG-QGZVFWFLSA-N 2 0 273.424 2.246 20 10 CECDRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1N(C)C ZINC000923332986 643665749 /nfs/dbraw/zinc/66/57/49/643665749.db2.gz OBYDGNQNGOAEFZ-ARFHVFGLSA-N 2 0 273.424 2.230 20 10 CECDRP COc1cccc(O)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000839183826 644182722 /nfs/dbraw/zinc/18/27/22/644182722.db2.gz ZQXBQWNIDGBIKD-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000770352391 646381485 /nfs/dbraw/zinc/38/14/85/646381485.db2.gz NLDIEIVAAZUKMW-DZGCQCFKSA-N 2 0 290.407 2.317 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)c2c1c(F)ccc2O ZINC000774375632 646839749 /nfs/dbraw/zinc/83/97/49/646839749.db2.gz DETWSCQTBCWJOE-WCQYABFASA-N 2 0 296.386 2.247 20 10 CECDRP C[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775691862 646981736 /nfs/dbraw/zinc/98/17/36/646981736.db2.gz HDFTULZJKDKSNY-HNNXBMFYSA-N 2 0 273.424 2.423 20 10 CECDRP CCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c(O)c1 ZINC000776256891 647043565 /nfs/dbraw/zinc/04/35/65/647043565.db2.gz HAMTYDUDDUUJOE-UHFFFAOYSA-N 2 0 276.380 2.142 20 10 CECDRP COc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000793370944 648747478 /nfs/dbraw/zinc/74/74/78/648747478.db2.gz SGIMOGGJGLRUKW-UHFFFAOYSA-N 2 0 299.374 2.118 20 10 CECDRP COc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1C ZINC000873221786 649596079 /nfs/dbraw/zinc/59/60/79/649596079.db2.gz PYSFTMNOYQIFMI-CYBMUJFWSA-N 2 0 262.397 2.481 20 10 CECDRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)ccc1O ZINC000873256829 649612876 /nfs/dbraw/zinc/61/28/76/649612876.db2.gz OXCPEWQXFFJOAW-FXPVBKGRSA-N 2 0 254.761 2.434 20 10 CECDRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1O ZINC000873293112 649629892 /nfs/dbraw/zinc/62/98/92/649629892.db2.gz XZHPTTMJNWCRHS-KBPBESRZSA-N 2 0 290.407 2.202 20 10 CECDRP Cc1c[nH+]ccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880020 652246222 /nfs/dbraw/zinc/24/62/22/652246222.db2.gz YDQBGXXLRHYYCH-UHFFFAOYSA-N 2 0 296.418 2.176 20 10 CECDRP COc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1O ZINC000133338369 652621632 /nfs/dbraw/zinc/62/16/32/652621632.db2.gz MUJPZSWHKQUZNB-CYBMUJFWSA-N 2 0 266.385 2.206 20 10 CECDRP C[NH2+]CCC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000070188970 808188148 /nfs/dbraw/zinc/18/81/48/808188148.db2.gz YKFVTJOLTREXCY-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000708480835 809929145 /nfs/dbraw/zinc/92/91/45/809929145.db2.gz MMVBBCIELRXWNJ-OLZOCXBDSA-N 2 0 282.334 2.387 20 10 CECDRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1O ZINC000397356398 813614520 /nfs/dbraw/zinc/61/45/20/813614520.db2.gz FQSAVTYNGXIMHO-DYEKYZERSA-N 2 0 278.396 2.206 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397429070 813617786 /nfs/dbraw/zinc/61/77/86/813617786.db2.gz ZGPBRDAQVYQUNI-OBJOEFQTSA-N 2 0 278.396 2.206 20 10 CECDRP COc1cc(C[N@H+](C)CC2CC2)cc(C[NH+](C)C)c1O ZINC001139253537 815996963 /nfs/dbraw/zinc/99/69/63/815996963.db2.gz XPWGCMLDVSIALO-UHFFFAOYSA-N 2 0 278.396 2.304 20 10 CECDRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000273366806 373753892 /nfs/dbraw/zinc/75/38/92/373753892.db2.gz BQNBIZULXPOOGV-NSHDSACASA-N 2 0 298.814 2.153 20 10 CECDRP Oc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300416028 261199546 /nfs/dbraw/zinc/19/95/46/261199546.db2.gz DNUTZQRRQBOVKY-KBPBESRZSA-N 2 0 264.344 2.248 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000037644007 521717749 /nfs/dbraw/zinc/71/77/49/521717749.db2.gz XEGHISNCAZAXPC-QWHCGFSZSA-N 2 0 278.396 2.393 20 10 CECDRP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(O)c1 ZINC000293248539 524330909 /nfs/dbraw/zinc/33/09/09/524330909.db2.gz BMPJZVWGLFAQPU-CABCVRRESA-N 2 0 292.423 2.116 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290641806 525938467 /nfs/dbraw/zinc/93/84/67/525938467.db2.gz YMXYPIUKZUZQMM-UKRRQHHQSA-N 2 0 290.407 2.317 20 10 CECDRP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000112017185 526033610 /nfs/dbraw/zinc/03/36/10/526033610.db2.gz CUVLSCBCTBJFPJ-ZIAGYGMSSA-N 2 0 276.380 2.117 20 10 CECDRP Oc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278468214 526371532 /nfs/dbraw/zinc/37/15/32/526371532.db2.gz GNQRZURQANXQQN-UHFFFAOYSA-N 2 0 260.381 2.356 20 10 CECDRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000236162972 625901211 /nfs/dbraw/zinc/90/12/11/625901211.db2.gz OGVVPKCXVYEGRN-ZDUSSCGKSA-N 2 0 252.333 2.235 20 10 CECDRP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000259042243 628788623 /nfs/dbraw/zinc/78/86/23/628788623.db2.gz PPPGLIUSFFKNOP-CQSZACIVSA-N 2 0 260.381 2.101 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(F)CC3)cc2)CC1 ZINC000895547291 630238904 /nfs/dbraw/zinc/23/89/04/630238904.db2.gz SSBFNBQROIZHHD-UHFFFAOYSA-N 2 0 291.414 2.372 20 10 CECDRP Cc1cccc(O)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000897620308 631831496 /nfs/dbraw/zinc/83/14/96/631831496.db2.gz MEEUODRZBYJFFD-CJNGLKHVSA-N 2 0 260.381 2.084 20 10 CECDRP CCN(CC)c1ccc(C[NH2+][C@H](C)CC[NH3+])cc1F ZINC000841049749 632353647 /nfs/dbraw/zinc/35/36/47/632353647.db2.gz GXAYVWPXLUYWAJ-GFCCVEGCSA-N 2 0 267.392 2.499 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000841061990 632364376 /nfs/dbraw/zinc/36/43/76/632364376.db2.gz PPIUKNVBCSJFCQ-AAEUAGOBSA-N 2 0 264.369 2.021 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000841062081 632364786 /nfs/dbraw/zinc/36/47/86/632364786.db2.gz SKESUYVWEXOPMS-XJKSGUPXSA-N 2 0 292.423 2.462 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)c2c1c(F)ccc2O ZINC000817937118 633787415 /nfs/dbraw/zinc/78/74/15/633787415.db2.gz TXHBCXRNJZGMOD-JOYOIKCWSA-N 2 0 264.344 2.421 20 10 CECDRP Nc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000817956215 633799386 /nfs/dbraw/zinc/79/93/86/633799386.db2.gz TZCPJOUWFIERLR-JKSUJKDBSA-N 2 0 259.397 2.028 20 10 CECDRP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)ccc1O ZINC000817964920 633806432 /nfs/dbraw/zinc/80/64/32/633806432.db2.gz JGSLEFWURCMBGK-QPUJVOFHSA-N 2 0 254.761 2.434 20 10 CECDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(F)ccc1O ZINC000817969636 633812189 /nfs/dbraw/zinc/81/21/89/633812189.db2.gz FPDCXBWGTHHLSK-ZMLRMANQSA-N 2 0 252.333 2.452 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000817970847 633813385 /nfs/dbraw/zinc/81/33/85/633813385.db2.gz GFJAMLSQVWPGJY-MJVIPROJSA-N 2 0 264.369 2.049 20 10 CECDRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1O ZINC000817970711 633813841 /nfs/dbraw/zinc/81/38/41/633813841.db2.gz CPXVZKNHNZINKO-FOGDFJRCSA-N 2 0 252.333 2.322 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(F)ccc1O ZINC000817971956 633815276 /nfs/dbraw/zinc/81/52/76/633815276.db2.gz RYTYBINHEHKXRS-OUJBWJOFSA-N 2 0 252.333 2.180 20 10 CECDRP Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000817976697 633819682 /nfs/dbraw/zinc/81/96/82/633819682.db2.gz RQBNJOAEQIJQCW-DOMZBBRYSA-N 2 0 260.381 2.493 20 10 CECDRP Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(O)c1 ZINC000817976494 633819719 /nfs/dbraw/zinc/81/97/19/633819719.db2.gz MAVAAACEGPQWON-WFASDCNBSA-N 2 0 260.381 2.493 20 10 CECDRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(O)c1C ZINC000817982242 633825254 /nfs/dbraw/zinc/82/52/54/633825254.db2.gz PSXQDRBTLFCHLM-ZIAGYGMSSA-N 2 0 278.396 2.038 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1O ZINC000818431411 633920792 /nfs/dbraw/zinc/92/07/92/633920792.db2.gz LOJCKLHJYSYRLH-CHWSQXEVSA-N 2 0 264.369 2.150 20 10 CECDRP CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903964769 635398767 /nfs/dbraw/zinc/39/87/67/635398767.db2.gz QUIWQMWVMIJWNB-ZBFHGGJFSA-N 2 0 275.440 2.478 20 10 CECDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000904354126 635585514 /nfs/dbraw/zinc/58/55/14/635585514.db2.gz ARAUOTDNQGSCOX-IUODEOHRSA-N 2 0 260.381 2.229 20 10 CECDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000904354127 635585716 /nfs/dbraw/zinc/58/57/16/635585716.db2.gz ARAUOTDNQGSCOX-SWLSCSKDSA-N 2 0 260.381 2.229 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC[NH2+]CC1 ZINC000904385512 635608732 /nfs/dbraw/zinc/60/87/32/635608732.db2.gz ZUAPCBQFLRGWHU-CYBMUJFWSA-N 2 0 274.408 2.489 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904419080 635631775 /nfs/dbraw/zinc/63/17/75/635631775.db2.gz LYASGWXSDVBRHI-JKSUJKDBSA-N 2 0 273.424 2.102 20 10 CECDRP Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1C ZINC000841090791 637750506 /nfs/dbraw/zinc/75/05/06/637750506.db2.gz MYEHAWZNLCMKMN-CZUORRHYSA-N 2 0 262.397 2.426 20 10 CECDRP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841031095 639622312 /nfs/dbraw/zinc/62/23/12/639622312.db2.gz PYZCAGRZBBXJRT-UHFFFAOYSA-N 2 0 282.384 2.017 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033380 639624931 /nfs/dbraw/zinc/62/49/31/639624931.db2.gz SJSJLAYRHSZWBT-SNVBAGLBSA-N 2 0 254.761 2.135 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036338 639627937 /nfs/dbraw/zinc/62/79/37/639627937.db2.gz LNTHPJQLUUZPAP-JTQLQIEISA-N 2 0 254.761 2.135 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1O ZINC000841078143 639647362 /nfs/dbraw/zinc/64/73/62/639647362.db2.gz DSLZRRLCNGHWTK-ZDUSSCGKSA-N 2 0 296.798 2.286 20 10 CECDRP CCOc1ccc(O)c(C[NH+]2CCC(C[NH2+]C)CC2)c1 ZINC000843048802 640253931 /nfs/dbraw/zinc/25/39/31/640253931.db2.gz AGZXUTQQAZOVCA-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120150 640289572 /nfs/dbraw/zinc/28/95/72/640289572.db2.gz CPBYOUMZMKEIFB-UHFFFAOYSA-N 2 0 260.381 2.276 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(O)c1 ZINC000843123456 640291221 /nfs/dbraw/zinc/29/12/21/640291221.db2.gz JOXDELFACMPMOH-CQSZACIVSA-N 2 0 278.396 2.494 20 10 CECDRP COc1ccc(N(C)CCN(C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000844902928 640861466 /nfs/dbraw/zinc/86/14/66/640861466.db2.gz XXOOIMPJBQBAHM-OAHLLOKOSA-N 2 0 293.455 2.437 20 10 CECDRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000252853764 641590854 /nfs/dbraw/zinc/59/08/54/641590854.db2.gz JIJQCWKKEAFYER-AEGPPILISA-N 2 0 290.407 2.350 20 10 CECDRP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC000877546021 650780123 /nfs/dbraw/zinc/78/01/23/650780123.db2.gz NWUGCUSUEFTRPR-INIZCTEOSA-N 2 0 260.381 2.228 20 10 CECDRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Cl)ccc1O ZINC000863540601 646751314 /nfs/dbraw/zinc/75/13/14/646751314.db2.gz GUFBEZTUQWIJTN-JTQLQIEISA-N 2 0 284.787 2.204 20 10 CECDRP Cc1cnccc1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000863641427 646775657 /nfs/dbraw/zinc/77/56/57/646775657.db2.gz BRPGGGNSUHPVJL-KRWDZBQOSA-N 2 0 284.407 2.246 20 10 CECDRP CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775784768 646991749 /nfs/dbraw/zinc/99/17/49/646991749.db2.gz IEELOIBFOHCVQT-AWEZNQCLSA-N 2 0 261.413 2.327 20 10 CECDRP COc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1O ZINC000715585955 814975081 /nfs/dbraw/zinc/97/50/81/814975081.db2.gz ZKFWTNPWTXJEIK-UHFFFAOYSA-N 2 0 278.396 2.363 20 10 CECDRP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(C)c3O)C[C@@H]2C1 ZINC001231595236 807177741 /nfs/dbraw/zinc/17/77/41/807177741.db2.gz RQEQZSMCTVINOL-GJZGRUSLSA-N 2 0 260.381 2.084 20 10 CECDRP COc1cc(C[N@H+](C)C2CC2)cc(C[NH+](C)C)c1O ZINC001139253186 815996740 /nfs/dbraw/zinc/99/67/40/815996740.db2.gz PEJNVMYORPXFHR-UHFFFAOYSA-N 2 0 264.369 2.057 20 10 CECDRP COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc(C[NH+](C)C)c1O ZINC001139258515 815997446 /nfs/dbraw/zinc/99/74/46/815997446.db2.gz QFFJRPXQTOHYMX-SWLSCSKDSA-N 2 0 290.407 2.447 20 10 CECDRP C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCC[NH+](C)C1 ZINC000179938736 368360531 /nfs/dbraw/zinc/36/05/31/368360531.db2.gz QBDLKILEQXGTSS-GFCCVEGCSA-N 2 0 266.360 2.305 20 10 CECDRP Oc1ccccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000263659934 371944815 /nfs/dbraw/zinc/94/48/15/371944815.db2.gz GWSWWNYGWDEZDE-UHFFFAOYSA-N 2 0 260.381 2.499 20 10 CECDRP Cc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000124590451 394838949 /nfs/dbraw/zinc/83/89/49/394838949.db2.gz YKPRYUPXFKVFGA-UHFFFAOYSA-N 2 0 262.397 2.474 20 10 CECDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000186566955 262100077 /nfs/dbraw/zinc/10/00/77/262100077.db2.gz ANKDEIFTQFDTMM-CABCVRRESA-N 2 0 291.439 2.069 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000156093909 524746358 /nfs/dbraw/zinc/74/63/58/524746358.db2.gz CGXRPGNODYLISG-CJNGLKHVSA-N 2 0 290.407 2.317 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CC[N@@H+]1C ZINC000157680437 525443341 /nfs/dbraw/zinc/44/33/41/525443341.db2.gz ADBLIDFOSXVYOJ-CZUORRHYSA-N 2 0 273.424 2.251 20 10 CECDRP COc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1O ZINC000278497235 526013532 /nfs/dbraw/zinc/01/35/32/526013532.db2.gz MUVQMSQSOPRFFR-UHFFFAOYSA-N 2 0 290.407 2.365 20 10 CECDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000104134096 627373392 /nfs/dbraw/zinc/37/33/92/627373392.db2.gz DWHIAUGYAWWIDS-ZDUSSCGKSA-N 2 0 261.413 2.312 20 10 CECDRP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000322848867 632245386 /nfs/dbraw/zinc/24/53/86/632245386.db2.gz OISSSAUTMAODOZ-AGUYFDCRSA-N 2 0 276.380 2.116 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000814178080 632800631 /nfs/dbraw/zinc/80/06/31/632800631.db2.gz BDIADBRDGCSSPR-QGZVFWFLSA-N 2 0 290.407 2.319 20 10 CECDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887686 633751776 /nfs/dbraw/zinc/75/17/76/633751776.db2.gz CDBBDTVYTMWYMY-ZIAGYGMSSA-N 2 0 293.480 2.455 20 10 CECDRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1O ZINC000817938004 633788625 /nfs/dbraw/zinc/78/86/25/633788625.db2.gz BDODQYITJZATOA-MRVPVSSYSA-N 2 0 273.174 2.154 20 10 CECDRP C[C@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1O ZINC000817938005 633789163 /nfs/dbraw/zinc/78/91/63/633789163.db2.gz BDODQYITJZATOA-QMMMGPOBSA-N 2 0 273.174 2.154 20 10 CECDRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1O ZINC000817977281 633819733 /nfs/dbraw/zinc/81/97/33/633819733.db2.gz GBZZKCBGNHJJPV-XDRUHAPNSA-N 2 0 297.196 2.023 20 10 CECDRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C)cc1O ZINC000817982467 633824520 /nfs/dbraw/zinc/82/45/20/633824520.db2.gz SSIJGZIHVRKEEZ-HIFRSBDPSA-N 2 0 278.396 2.120 20 10 CECDRP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(O)c1 ZINC000817981906 633824773 /nfs/dbraw/zinc/82/47/73/633824773.db2.gz OIUGOSWZPSSULL-KGLIPLIRSA-N 2 0 278.396 2.038 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC000904410131 635616526 /nfs/dbraw/zinc/61/65/26/635616526.db2.gz BETZLCUHUNJKAY-QWHCGFSZSA-N 2 0 278.396 2.208 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904410139 635617168 /nfs/dbraw/zinc/61/71/68/635617168.db2.gz BHTQMDDURJWWJP-TZMCWYRMSA-N 2 0 279.403 2.308 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2CC([NH3+])C2)c(C(F)(F)F)c1 ZINC000906510852 636762240 /nfs/dbraw/zinc/76/22/40/636762240.db2.gz MVIIKWFNGFCYSG-UHFFFAOYSA-N 2 0 287.329 2.351 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000840915581 639584346 /nfs/dbraw/zinc/58/43/46/639584346.db2.gz RETFAQDWXMBZCV-OAHLLOKOSA-N 2 0 275.440 2.445 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000841033071 639625593 /nfs/dbraw/zinc/62/55/93/639625593.db2.gz KABMCBQLZKZCAK-STQMWFEESA-N 2 0 278.396 2.269 20 10 CECDRP COc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1O ZINC000841039249 639629823 /nfs/dbraw/zinc/62/98/23/639629823.db2.gz GZYYKVXPHGRFIN-UHFFFAOYSA-N 2 0 264.369 2.152 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC000841061851 639638550 /nfs/dbraw/zinc/63/85/50/639638550.db2.gz OARFNGNAQRTRJH-BXKDBHETSA-N 2 0 254.761 2.276 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H](C)CCC[NH3+])c1O ZINC000841078376 639647550 /nfs/dbraw/zinc/64/75/50/639647550.db2.gz CCPYZTQZHSNVOI-SECBINFHSA-N 2 0 272.776 2.271 20 10 CECDRP CCOc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1O ZINC000841081583 639649463 /nfs/dbraw/zinc/64/94/63/639649463.db2.gz YGPSPTXTPFWVHO-GFCCVEGCSA-N 2 0 266.385 2.398 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841081162 639649497 /nfs/dbraw/zinc/64/94/97/639649497.db2.gz XDXDTXKSJNYKEI-CYBMUJFWSA-N 2 0 266.772 2.277 20 10 CECDRP COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C[NH3+])c1O ZINC000229104385 639676764 /nfs/dbraw/zinc/67/67/64/639676764.db2.gz MDAJUURFWBPAJF-UHFFFAOYSA-N 2 0 286.803 2.471 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843057379 640259720 /nfs/dbraw/zinc/25/97/20/640259720.db2.gz JSRZCHFPANMWJY-HIFRSBDPSA-N 2 0 261.413 2.230 20 10 CECDRP COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000843123512 640290585 /nfs/dbraw/zinc/29/05/85/640290585.db2.gz LCPRLXVBDZRNOU-ZDUSSCGKSA-N 2 0 294.395 2.113 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000843125038 640292013 /nfs/dbraw/zinc/29/20/13/640292013.db2.gz LWKIQRSZUXFIBQ-WBVHZDCISA-N 2 0 290.407 2.029 20 10 CECDRP COc1ccc(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000843129456 640296555 /nfs/dbraw/zinc/29/65/55/640296555.db2.gz UKVVGCBVFUTPBQ-UHFFFAOYSA-N 2 0 272.348 2.149 20 10 CECDRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc2c1OCC2 ZINC000843341592 640394690 /nfs/dbraw/zinc/39/46/90/640394690.db2.gz VSBSIHJELQFTLA-ARFHVFGLSA-N 2 0 272.392 2.099 20 10 CECDRP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000845996753 641146675 /nfs/dbraw/zinc/14/66/75/641146675.db2.gz RGNWJVMNSIZIJY-UHFFFAOYSA-N 2 0 294.395 2.188 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000070148669 641636872 /nfs/dbraw/zinc/63/68/72/641636872.db2.gz RKDGBWOUVXVBRY-CYBMUJFWSA-N 2 0 264.369 2.104 20 10 CECDRP CCOc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1O ZINC000070169570 641639528 /nfs/dbraw/zinc/63/95/28/641639528.db2.gz ADZOBZDLSFJCRC-CYBMUJFWSA-N 2 0 278.396 2.352 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848561712 642054805 /nfs/dbraw/zinc/05/48/05/642054805.db2.gz BIPNSPAJYYKGIK-XBXGTLAGSA-N 2 0 278.396 2.221 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccn3)cc2)CC1 ZINC000107797401 642103240 /nfs/dbraw/zinc/10/32/40/642103240.db2.gz WKVFYDPSSXULRK-UHFFFAOYSA-N 2 0 296.418 2.123 20 10 CECDRP COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000849350813 642340822 /nfs/dbraw/zinc/34/08/22/642340822.db2.gz XFJAOHJUNIWTJI-HUUCEWRRSA-N 2 0 289.423 2.006 20 10 CECDRP Cc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877570434 650794282 /nfs/dbraw/zinc/79/42/82/650794282.db2.gz NBRGFRIAQIUODM-AGUYFDCRSA-N 2 0 260.381 2.415 20 10 CECDRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1N(C)C ZINC000923332990 643665864 /nfs/dbraw/zinc/66/58/64/643665864.db2.gz OBYDGNQNGOAEFZ-JYJNAYRXSA-N 2 0 273.424 2.230 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923493313 643737419 /nfs/dbraw/zinc/73/74/19/643737419.db2.gz RYMBSMZIDFZZHG-ZBFHGGJFSA-N 2 0 275.440 2.478 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C2)cc1 ZINC000854218283 644014135 /nfs/dbraw/zinc/01/41/35/644014135.db2.gz VHLSCFIRTLQRTR-CABCVRRESA-N 2 0 291.439 2.381 20 10 CECDRP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000112017209 644014965 /nfs/dbraw/zinc/01/49/65/644014965.db2.gz KPODXWJHSJXVKY-UONOGXRCSA-N 2 0 276.380 2.117 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccccc1O ZINC000757673772 644833722 /nfs/dbraw/zinc/83/37/22/644833722.db2.gz JGOLKUQBSCDHAZ-CQSZACIVSA-N 2 0 280.412 2.401 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)c2c1c(F)ccc2O ZINC000774375630 646839699 /nfs/dbraw/zinc/83/96/99/646839699.db2.gz DETWSCQTBCWJOE-DGCLKSJQSA-N 2 0 296.386 2.247 20 10 CECDRP Cc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1O ZINC000775687907 646980945 /nfs/dbraw/zinc/98/09/45/646980945.db2.gz KQROYDMYTTZFPJ-UHFFFAOYSA-N 2 0 292.423 2.243 20 10 CECDRP COc1cc(C)cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000872725539 649470178 /nfs/dbraw/zinc/47/01/78/649470178.db2.gz UDNYXLWWAJTPSP-DZGCQCFKSA-N 2 0 290.407 2.235 20 10 CECDRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)ccc1O ZINC000873256831 649612556 /nfs/dbraw/zinc/61/25/56/649612556.db2.gz OXCPEWQXFFJOAW-QXEWZRGKSA-N 2 0 254.761 2.434 20 10 CECDRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000020200360 649737111 /nfs/dbraw/zinc/73/71/11/649737111.db2.gz BIROWBNXWJOSGC-AWEZNQCLSA-N 2 0 291.439 2.069 20 10 CECDRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000700787819 809347604 /nfs/dbraw/zinc/34/76/04/809347604.db2.gz NSHYAQPZHATIFH-GFCCVEGCSA-N 2 0 266.360 2.353 20 10 CECDRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1C(F)(F)F ZINC000704353293 809730508 /nfs/dbraw/zinc/73/05/08/809730508.db2.gz YFWLSSSFQXNQQY-VXGBXAGGSA-N 2 0 288.313 2.351 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709374951 809960755 /nfs/dbraw/zinc/96/07/55/809960755.db2.gz AKODZUKNQYSYNY-YIONKMFJSA-N 2 0 259.397 2.125 20 10 CECDRP CCc1cccc(C[N@H+](C)CCC[NH+](C)C)c1O ZINC000821984691 810576900 /nfs/dbraw/zinc/57/69/00/810576900.db2.gz YGMQYRKXPBFAKZ-UHFFFAOYSA-N 2 0 250.386 2.338 20 10 CECDRP Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC001169111354 811403460 /nfs/dbraw/zinc/40/34/60/811403460.db2.gz OVWCMGBWMAGQGO-QDMKHBRRSA-N 2 0 260.381 2.415 20 10 CECDRP C[C@@H]1CC[C@H](NCc2ccc(Br)cc2O)C[NH2+]1 ZINC001246341646 813792764 /nfs/dbraw/zinc/79/27/64/813792764.db2.gz BLZIIHOGVRATCZ-SKDRFNHKSA-N 2 0 299.212 2.385 20 10 CECDRP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1N(C)C ZINC001139671591 816075615 /nfs/dbraw/zinc/07/56/15/816075615.db2.gz YKYMTVNBRONUDQ-SJORKVTESA-N 2 0 287.451 2.445 20 10 CECDRP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccccc2O)C1 ZINC001206337332 816773626 /nfs/dbraw/zinc/77/36/26/816773626.db2.gz UBXVEPGSNXOZSL-AWEZNQCLSA-N 2 0 252.333 2.045 20 10 CECDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1O ZINC000374890904 374635612 /nfs/dbraw/zinc/63/56/12/374635612.db2.gz FEXGDYVJEXMTIW-VYDXJSESSA-N 2 0 290.407 2.076 20 10 CECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2O)C1 ZINC000093770584 394668509 /nfs/dbraw/zinc/66/85/09/394668509.db2.gz YQYUJWOLBHSIRM-CQSZACIVSA-N 2 0 262.397 2.474 20 10 CECDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000186566936 262100136 /nfs/dbraw/zinc/10/01/36/262100136.db2.gz ANKDEIFTQFDTMM-GJZGRUSLSA-N 2 0 291.439 2.069 20 10 CECDRP Cc1ccc(O)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253844 327191031 /nfs/dbraw/zinc/19/10/31/327191031.db2.gz ZNENIVZODXOCIT-AWEZNQCLSA-N 2 0 262.397 2.474 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1F ZINC000817901237 633761748 /nfs/dbraw/zinc/76/17/48/633761748.db2.gz UJBSQERDQLVDQM-UHFFFAOYSA-N 2 0 279.403 2.499 20 10 CECDRP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000817942127 633789851 /nfs/dbraw/zinc/78/98/51/633789851.db2.gz MLTFTXUKFXQRFW-ZACQAIPSSA-N 2 0 290.455 2.002 20 10 CECDRP C[C@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])c2c1c(F)ccc2O ZINC000817960280 633803202 /nfs/dbraw/zinc/80/32/02/633803202.db2.gz LNJFZNVVJKFKTE-WPRPVWTQSA-N 2 0 252.333 2.407 20 10 CECDRP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817963558 633804733 /nfs/dbraw/zinc/80/47/33/633804733.db2.gz UXOKONIUMDJKLR-YWVKMMECSA-N 2 0 252.333 2.264 20 10 CECDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(O)c1C ZINC000817982240 633824395 /nfs/dbraw/zinc/82/43/95/633824395.db2.gz PSXQDRBTLFCHLM-KGLIPLIRSA-N 2 0 278.396 2.038 20 10 CECDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1O ZINC000817981413 633824691 /nfs/dbraw/zinc/82/46/91/633824691.db2.gz JANJIQKRVWPGCO-YPMHNXCESA-N 2 0 298.814 2.383 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000817984057 633826482 /nfs/dbraw/zinc/82/64/82/633826482.db2.gz MIENOLUGSGLTKP-NSHDSACASA-N 2 0 264.369 2.194 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CCC(C)(C)[NH3+])c1O ZINC000903939202 635350057 /nfs/dbraw/zinc/35/00/57/635350057.db2.gz VFOLCOJHAMRGQX-UHFFFAOYSA-N 2 0 272.776 2.271 20 10 CECDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000904354128 635585287 /nfs/dbraw/zinc/58/52/87/635585287.db2.gz ARAUOTDNQGSCOX-WFASDCNBSA-N 2 0 260.381 2.229 20 10 CECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2O)C1 ZINC000876779669 650429177 /nfs/dbraw/zinc/42/91/77/650429177.db2.gz BHXWTMAAIABPJU-CQSZACIVSA-N 2 0 262.397 2.474 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000840930969 639590204 /nfs/dbraw/zinc/59/02/04/639590204.db2.gz BUGXREUHVHUECD-UHFFFAOYSA-N 2 0 275.440 2.492 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(O)c1 ZINC000841028715 639621582 /nfs/dbraw/zinc/62/15/82/639621582.db2.gz CPBBMTKNDOJMBH-IUODEOHRSA-N 2 0 278.396 2.398 20 10 CECDRP CCOc1ccc(C[NH2+]CC([NH3+])(CC)CC)c(O)c1 ZINC000841031688 639624063 /nfs/dbraw/zinc/62/40/63/639624063.db2.gz ZBGHTSKMGWZELM-UHFFFAOYSA-N 2 0 266.385 2.398 20 10 CECDRP [NH3+]C1(C[NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000841052461 639633179 /nfs/dbraw/zinc/63/31/79/639633179.db2.gz YALFTIRNEDRBII-UHFFFAOYSA-N 2 0 285.185 2.126 20 10 CECDRP CN(C)c1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000841053806 639633669 /nfs/dbraw/zinc/63/36/69/639633669.db2.gz CIDTXOCKGKDRDB-UHFFFAOYSA-N 2 0 261.413 2.232 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1O ZINC000841057296 639635626 /nfs/dbraw/zinc/63/56/26/639635626.db2.gz IWXCDHQJACVKNB-NWDGAFQWSA-N 2 0 284.787 2.414 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(O)c1 ZINC000841057049 639635704 /nfs/dbraw/zinc/63/57/04/639635704.db2.gz HHFXWNBNLHKVNV-ZDUSSCGKSA-N 2 0 264.369 2.023 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000841083264 639649678 /nfs/dbraw/zinc/64/96/78/639649678.db2.gz ADYBKTAOQAIBAD-WCQYABFASA-N 2 0 265.376 2.109 20 10 CECDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000841084521 639650621 /nfs/dbraw/zinc/65/06/21/639650621.db2.gz KFPXFGAKUOIWCZ-BXKDBHETSA-N 2 0 299.212 2.372 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841087125 639651526 /nfs/dbraw/zinc/65/15/26/639651526.db2.gz NBADVLLGPVCQSA-UKRRQHHQSA-N 2 0 260.381 2.356 20 10 CECDRP CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1O ZINC000842476281 640075801 /nfs/dbraw/zinc/07/58/01/640075801.db2.gz KPNNSZHWNJRKCJ-CQSZACIVSA-N 2 0 294.370 2.212 20 10 CECDRP CCOc1ccc(O)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000843052500 640256414 /nfs/dbraw/zinc/25/64/14/640256414.db2.gz MRQCVMJBAGHNST-LBPRGKRZSA-N 2 0 278.396 2.350 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843057846 640259646 /nfs/dbraw/zinc/25/96/46/640259646.db2.gz MMGDHFYZDQVZOU-KGLIPLIRSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@H]([NH3+])[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843057357 640260348 /nfs/dbraw/zinc/26/03/48/640260348.db2.gz JFMDCUYRDWUUIP-KBSCQGNFSA-N 2 0 273.424 2.435 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000843060219 640262543 /nfs/dbraw/zinc/26/25/43/640262543.db2.gz YEJMOBGIXJVJQV-APHBMKBZSA-N 2 0 290.407 2.350 20 10 CECDRP CN(C[C@@]1(C)CC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000843064775 640265337 /nfs/dbraw/zinc/26/53/37/640265337.db2.gz BXONPXVLOLLSLH-KRWDZBQOSA-N 2 0 291.439 2.063 20 10 CECDRP COc1ccc(O)c(C[NH2+]CCCCCC[NH3+])c1 ZINC000843127389 640294510 /nfs/dbraw/zinc/29/45/10/640294510.db2.gz OUZODTMPZLBBGV-UHFFFAOYSA-N 2 0 252.358 2.010 20 10 CECDRP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000843128342 640295135 /nfs/dbraw/zinc/29/51/35/640295135.db2.gz WIDCRMUNAPDCCJ-OKILXGFUSA-N 2 0 290.407 2.222 20 10 CECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)cc1O ZINC000877159074 650602950 /nfs/dbraw/zinc/60/29/50/650602950.db2.gz RWLBZJGGUUSUCC-HNNXBMFYSA-N 2 0 280.412 2.147 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000846703815 641403735 /nfs/dbraw/zinc/40/37/35/641403735.db2.gz QLINSTAQXHMYMC-HIFRSBDPSA-N 2 0 261.413 2.373 20 10 CECDRP CCc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000848923527 642195834 /nfs/dbraw/zinc/19/58/34/642195834.db2.gz MHTWSZZGKXTWNZ-JNSHFYNHSA-N 2 0 262.397 2.384 20 10 CECDRP Cc1cccc(O)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000877545962 650779861 /nfs/dbraw/zinc/77/98/61/650779861.db2.gz NDHJRPZMJWXDPI-INIZCTEOSA-N 2 0 260.381 2.228 20 10 CECDRP CCN(C)c1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000863548345 646754689 /nfs/dbraw/zinc/75/46/89/646754689.db2.gz XMOGTHRGRLIVNW-CQSZACIVSA-N 2 0 279.428 2.159 20 10 CECDRP CCN(C)c1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000774381356 646840745 /nfs/dbraw/zinc/84/07/45/646840745.db2.gz MKILZDSQGOQATD-OAHLLOKOSA-N 2 0 293.455 2.372 20 10 CECDRP CN(CC1CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000843070599 648455942 /nfs/dbraw/zinc/45/59/42/648455942.db2.gz VUAUWWHTAFABFV-UHFFFAOYSA-N 2 0 291.439 2.063 20 10 CECDRP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC000882880555 652246275 /nfs/dbraw/zinc/24/62/75/652246275.db2.gz YESFMJQCFJIGTG-UHFFFAOYSA-N 2 0 296.418 2.176 20 10 CECDRP CC[N@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001140468606 802964601 /nfs/dbraw/zinc/96/46/01/802964601.db2.gz QHMQJTMKJKTZLQ-BETUJISGSA-N 2 0 280.799 2.429 20 10 CECDRP C[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155797 811417222 /nfs/dbraw/zinc/41/72/22/811417222.db2.gz VHXQWNPDKMTENG-QDMKHBRRSA-N 2 0 260.381 2.449 20 10 CECDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3O)CC[C@H]21 ZINC000228183307 370398987 /nfs/dbraw/zinc/39/89/87/370398987.db2.gz QLPCLSCAAFVWKM-DZGCQCFKSA-N 2 0 260.381 2.308 20 10 CECDRP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)ccc1O ZINC000230744837 370466290 /nfs/dbraw/zinc/46/62/90/370466290.db2.gz SDPRDIOWWSPLOH-UHFFFAOYSA-N 2 0 250.386 2.474 20 10 CECDRP Cc1ccc(O)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268422572 372099774 /nfs/dbraw/zinc/09/97/74/372099774.db2.gz MGKMMOORVJLMED-UHFFFAOYSA-N 2 0 292.423 2.026 20 10 CECDRP Oc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000179578554 395196908 /nfs/dbraw/zinc/19/69/08/395196908.db2.gz RJSOYCUJRLRVGB-AWEZNQCLSA-N 2 0 260.381 2.310 20 10 CECDRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1O ZINC000183496464 395257952 /nfs/dbraw/zinc/25/79/52/395257952.db2.gz LUBBUOAGVUYMCL-HNNXBMFYSA-N 2 0 291.439 2.070 20 10 CECDRP CCCN(c1ccc(C[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000194979113 521697392 /nfs/dbraw/zinc/69/73/92/521697392.db2.gz VQGPSAUTDIITCW-UHFFFAOYSA-N 2 0 261.413 2.456 20 10 CECDRP CCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000328166559 627864441 /nfs/dbraw/zinc/86/44/41/627864441.db2.gz IZNNOMGFERTLEZ-OAHLLOKOSA-N 2 0 261.413 2.327 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000841063159 632372752 /nfs/dbraw/zinc/37/27/52/632372752.db2.gz FDICYUWIMJMJQR-XJKSGUPXSA-N 2 0 292.423 2.319 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000817952595 633797550 /nfs/dbraw/zinc/79/75/50/633797550.db2.gz GDPDUNVCVLNTMZ-GFCCVEGCSA-N 2 0 266.385 2.440 20 10 CECDRP C[C@H](NCC[NH2+]C1CC1)c1cc(Cl)ccc1O ZINC000817954556 633798779 /nfs/dbraw/zinc/79/87/79/633798779.db2.gz YQGRBIPXGUKOKJ-VIFPVBQESA-N 2 0 254.761 2.448 20 10 CECDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)cc1O ZINC000817963017 633804533 /nfs/dbraw/zinc/80/45/33/633804533.db2.gz QFUTXYMEFYOXBG-DTWKUNHWSA-N 2 0 287.201 2.400 20 10 CECDRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)ccc1O ZINC000817965332 633807075 /nfs/dbraw/zinc/80/70/75/633807075.db2.gz OMOWXBYTZPQBHZ-MRVPVSSYSA-N 2 0 285.185 2.025 20 10 CECDRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Cl)ccc1O ZINC000817965655 633808136 /nfs/dbraw/zinc/80/81/36/633808136.db2.gz SSSSFBXIAVCFFB-LBPRGKRZSA-N 2 0 254.761 2.306 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000903974806 635392690 /nfs/dbraw/zinc/39/26/90/635392690.db2.gz SXOSFPGFTRONRV-GHMZBOCLSA-N 2 0 268.788 2.381 20 10 CECDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904356335 635587972 /nfs/dbraw/zinc/58/79/72/635587972.db2.gz VZXUYUPFAIISEI-WFASDCNBSA-N 2 0 260.381 2.099 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1C[NH3+] ZINC000904410137 635617047 /nfs/dbraw/zinc/61/70/47/635617047.db2.gz BHTQMDDURJWWJP-JSGCOSHPSA-N 2 0 279.403 2.308 20 10 CECDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841084975 637256999 /nfs/dbraw/zinc/25/69/99/637256999.db2.gz RCQLMGGVADRJTK-ZJUUUORDSA-N 2 0 254.761 2.263 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087470 637566105 /nfs/dbraw/zinc/56/61/05/637566105.db2.gz OECNJXWKJWMIEP-DZGCQCFKSA-N 2 0 290.407 2.365 20 10 CECDRP COc1cc(O)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000841028524 639621379 /nfs/dbraw/zinc/62/13/79/639621379.db2.gz ASFFIYTUAGYKFB-AAEUAGOBSA-N 2 0 294.395 2.017 20 10 CECDRP COc1cccc(O)c1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032827 639625279 /nfs/dbraw/zinc/62/52/79/639625279.db2.gz ZMVBFZJUBUWOEA-UHFFFAOYSA-N 2 0 286.375 2.192 20 10 CECDRP Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000841038235 639629024 /nfs/dbraw/zinc/62/90/24/639629024.db2.gz HXCMDTFWQAYKKN-GVDBMIGSSA-N 2 0 273.424 2.322 20 10 CECDRP CCN(CC)c1ccc(C[NH2+]CCC[NH2+]C)cc1F ZINC000841043618 639630915 /nfs/dbraw/zinc/63/09/15/639630915.db2.gz YCOIKUPJLKZLHW-UHFFFAOYSA-N 2 0 267.392 2.371 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000841062536 639637816 /nfs/dbraw/zinc/63/78/16/639637816.db2.gz MQVXTKATEMGYLI-ZFWWWQNUSA-N 2 0 261.413 2.291 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000841064640 639639148 /nfs/dbraw/zinc/63/91/48/639639148.db2.gz RQXMBGDGNGCNPK-BBRMVZONSA-N 2 0 261.413 2.149 20 10 CECDRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1C ZINC000841073667 639643609 /nfs/dbraw/zinc/64/36/09/639643609.db2.gz VVRYXEOPIYJGIH-HNNXBMFYSA-N 2 0 262.397 2.481 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1O ZINC000841083243 639649118 /nfs/dbraw/zinc/64/91/18/639649118.db2.gz ABBGIZPKCOAIOV-BXKDBHETSA-N 2 0 284.787 2.271 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1O ZINC000841083246 639649781 /nfs/dbraw/zinc/64/97/81/639649781.db2.gz ABBGIZPKCOAIOV-SKDRFNHKSA-N 2 0 284.787 2.271 20 10 CECDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000841100094 639659259 /nfs/dbraw/zinc/65/92/59/639659259.db2.gz UKZHDDCFTGYOLX-WBVHZDCISA-N 2 0 290.407 2.111 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843051475 640255291 /nfs/dbraw/zinc/25/52/91/640255291.db2.gz JEGYIHUOXRWQDR-CHWSQXEVSA-N 2 0 278.396 2.350 20 10 CECDRP C[C@@H]1C[C@@H](CN2CCCc3cc(C[NH3+])ccc32)CC[NH2+]1 ZINC000843058192 640261159 /nfs/dbraw/zinc/26/11/59/640261159.db2.gz OFRIANREGZQVIK-HIFRSBDPSA-N 2 0 273.424 2.286 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125599 640292207 /nfs/dbraw/zinc/29/22/07/640292207.db2.gz YMDTWIUXFBFCSA-QWHCGFSZSA-N 2 0 278.371 2.353 20 10 CECDRP COc1ccc(O)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000843126327 640293537 /nfs/dbraw/zinc/29/35/37/640293537.db2.gz JJXAACFEGTWNDH-AWEZNQCLSA-N 2 0 290.407 2.222 20 10 CECDRP [NH3+]CCCCCCN1CCCc2cc(C[NH3+])ccc21 ZINC000846218462 641227701 /nfs/dbraw/zinc/22/77/01/641227701.db2.gz VDFWMZFIRPLINS-UHFFFAOYSA-N 2 0 261.413 2.417 20 10 CECDRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000846698206 641400702 /nfs/dbraw/zinc/40/07/02/641400702.db2.gz CHBNLGIMFDWPGY-AAEUAGOBSA-N 2 0 265.376 2.203 20 10 CECDRP COc1ccc(N2CC[C@@H]([NH2+]C[C@H]([NH3+])CC(C)C)C2)cc1 ZINC000849350319 642341031 /nfs/dbraw/zinc/34/10/31/642341031.db2.gz NPABNJXOCIWEJP-HUUCEWRRSA-N 2 0 291.439 2.237 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1N(C)C ZINC000923358689 643677370 /nfs/dbraw/zinc/67/73/70/643677370.db2.gz KNZWGMMFQFLJTA-HZPDHXFCSA-N 2 0 273.424 2.245 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1N(C)C ZINC000923478412 643729094 /nfs/dbraw/zinc/72/90/94/643729094.db2.gz BRXSPIHQPRTXDX-CQSZACIVSA-N 2 0 261.413 2.232 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000769384585 646257551 /nfs/dbraw/zinc/25/75/51/646257551.db2.gz RGZNALVXRNNPJZ-UHFFFAOYSA-N 2 0 292.423 2.243 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000769473531 646274910 /nfs/dbraw/zinc/27/49/10/646274910.db2.gz OWWKYHMTGOXERM-CQSZACIVSA-N 2 0 290.407 2.319 20 10 CECDRP CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770395635 646386843 /nfs/dbraw/zinc/38/68/43/646386843.db2.gz TVYBNTLTEOGYHS-IYBDPMFKSA-N 2 0 273.424 2.184 20 10 CECDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725574 649469865 /nfs/dbraw/zinc/46/98/65/649469865.db2.gz UOQUZFBPQWCJPC-NVXWUHKLSA-N 2 0 286.419 2.407 20 10 CECDRP C[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000873216211 649593106 /nfs/dbraw/zinc/59/31/06/649593106.db2.gz LQYAOSLIZOXJRX-MWLCHTKSSA-N 2 0 299.212 2.181 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229278 649600349 /nfs/dbraw/zinc/60/03/49/649600349.db2.gz RJUMWLODTFZYPM-DOTOQJQBSA-N 2 0 273.424 2.102 20 10 CECDRP C[C@]1([NH3+])CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001204801949 806152746 /nfs/dbraw/zinc/15/27/46/806152746.db2.gz XONFYXNGCFYPGH-LBPRGKRZSA-N 2 0 290.285 2.214 20 10 CECDRP Cc1cc(F)cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205124323 807720786 /nfs/dbraw/zinc/72/07/86/807720786.db2.gz OHEOGNGUIFUAQO-ZDUSSCGKSA-N 2 0 252.333 2.153 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC001172101607 815281469 /nfs/dbraw/zinc/28/14/69/815281469.db2.gz GAIMXRSNNPSKAB-QDMKHBRRSA-N 2 0 260.381 2.497 20 10 CECDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000392248005 813299458 /nfs/dbraw/zinc/29/94/58/813299458.db2.gz RREZQRCDPMSUSI-CQSZACIVSA-N 2 0 258.365 2.231 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CC[C@H](C)[NH+](C)C)c1O ZINC000697925924 814654047 /nfs/dbraw/zinc/65/40/47/814654047.db2.gz FXDSCIPOVUDLJT-JTQLQIEISA-N 2 0 286.803 2.484 20 10 CECDRP CN1CCCc2cc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)ccc21 ZINC001138355640 815775439 /nfs/dbraw/zinc/77/54/39/815775439.db2.gz VUVIBXMJCYPPAY-MSOLQXFVSA-N 2 0 299.462 2.453 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC4CC(C4)C3)cc2)CC1 ZINC001139410893 816020031 /nfs/dbraw/zinc/02/00/31/816020031.db2.gz KODADENAAOMWTF-UHFFFAOYSA-N 2 0 285.435 2.280 20 10 CECDRP [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371526820 373911958 /nfs/dbraw/zinc/91/19/58/373911958.db2.gz FXFOSJVIYPCMQN-FMKPAKJESA-N 2 0 290.382 2.447 20 10 CECDRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296066664 378408882 /nfs/dbraw/zinc/40/88/82/378408882.db2.gz RYLJQQRKLNVUEM-DGCLKSJQSA-N 2 0 257.337 2.254 20 10 CECDRP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000124712061 394840228 /nfs/dbraw/zinc/84/02/28/394840228.db2.gz GAZMQSQMXSPUKB-HUUCEWRRSA-N 2 0 260.381 2.417 20 10 CECDRP C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C[NH+](C)C ZINC000291815677 395167967 /nfs/dbraw/zinc/16/79/67/395167967.db2.gz YOWOFVMLUNBZGY-LBPRGKRZSA-N 2 0 267.392 2.179 20 10 CECDRP Cc1cc(Cl)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1O ZINC000194537204 395440624 /nfs/dbraw/zinc/44/06/24/395440624.db2.gz JKGIRSVGHPIUEO-BETUJISGSA-N 2 0 280.799 2.347 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916419 173851430 /nfs/dbraw/zinc/85/14/30/173851430.db2.gz VMKYLIBMLAUUEM-HIFRSBDPSA-N 2 0 260.381 2.356 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295928560 276222167 /nfs/dbraw/zinc/22/21/67/276222167.db2.gz KBDRDXVWLSPIBH-OCCSQVGLSA-N 2 0 260.381 2.311 20 10 CECDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000368734744 524915229 /nfs/dbraw/zinc/91/52/29/524915229.db2.gz ZYOOVWCUZOWFKV-CPUCHLNUSA-N 2 0 287.451 2.497 20 10 CECDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000742207082 575010705 /nfs/dbraw/zinc/01/07/05/575010705.db2.gz OXKYVENEXZNXQK-BBRMVZONSA-N 2 0 274.408 2.441 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000300417246 622877120 /nfs/dbraw/zinc/87/71/20/622877120.db2.gz NPPRPOHLZYJXQS-IUODEOHRSA-N 2 0 278.371 2.495 20 10 CECDRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000090720250 623544140 /nfs/dbraw/zinc/54/41/40/623544140.db2.gz FNDIGJYMDPSVHM-SWLSCSKDSA-N 2 0 260.381 2.194 20 10 CECDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000236262129 628975242 /nfs/dbraw/zinc/97/52/42/628975242.db2.gz XNLNWSWFIXQOEL-LLVKDONJSA-N 2 0 252.333 2.092 20 10 CECDRP CC1([NH+]2CCC2)CC[NH+](Cc2ccccc2O)CC1 ZINC000895671055 630300910 /nfs/dbraw/zinc/30/09/10/630300910.db2.gz MQFPKHFXMSJPEU-UHFFFAOYSA-N 2 0 260.381 2.452 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000904421306 635633441 /nfs/dbraw/zinc/63/34/41/635633441.db2.gz XOXYJFXDZJILEX-DZGCQCFKSA-N 2 0 260.381 2.050 20 10 CECDRP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817934687 633787050 /nfs/dbraw/zinc/78/70/50/633787050.db2.gz MYZZEFWILOVWBD-KGLIPLIRSA-N 2 0 275.440 2.190 20 10 CECDRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C)cc1O ZINC000817936589 633787380 /nfs/dbraw/zinc/78/73/80/633787380.db2.gz POLVQGPRRZVUTL-MRXNPFEDSA-N 2 0 291.439 2.037 20 10 CECDRP C[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)c2c1c(F)ccc2O ZINC000817937116 633787675 /nfs/dbraw/zinc/78/76/75/633787675.db2.gz TXHBCXRNJZGMOD-CABZTGNLSA-N 2 0 264.344 2.421 20 10 CECDRP CC[NH2+]CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000817944124 633790976 /nfs/dbraw/zinc/79/09/76/633790976.db2.gz XXHIJRYCUMVMEZ-UHFFFAOYSA-N 2 0 291.439 2.253 20 10 CECDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817959507 633801042 /nfs/dbraw/zinc/80/10/42/633801042.db2.gz GTXDJKTUGNJDAL-BFHYXJOUSA-N 2 0 260.381 2.487 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])c2c1c(F)ccc2O ZINC000817960279 633802456 /nfs/dbraw/zinc/80/24/56/633802456.db2.gz LNJFZNVVJKFKTE-WCBMZHEXSA-N 2 0 252.333 2.407 20 10 CECDRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)ccc1O ZINC000817977859 633821758 /nfs/dbraw/zinc/82/17/58/633821758.db2.gz QTOTUGNFDGUUPP-XDRUHAPNSA-N 2 0 297.196 2.023 20 10 CECDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000818616587 633960412 /nfs/dbraw/zinc/96/04/12/633960412.db2.gz YNCQGKNJBATKKH-QLFBSQMISA-N 2 0 291.439 2.237 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903959435 635370045 /nfs/dbraw/zinc/37/00/45/635370045.db2.gz HYIHXOTYYICKGO-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000903954873 635389275 /nfs/dbraw/zinc/38/92/75/635389275.db2.gz HMRHYKRBMXCORS-LBPRGKRZSA-N 2 0 270.323 2.035 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]3C3CC3)cc2)CC1 ZINC000824650789 635470037 /nfs/dbraw/zinc/47/00/37/635470037.db2.gz QTSFIMPWFYBDND-SFHVURJKSA-N 2 0 285.435 2.423 20 10 CECDRP CN(C)c1ccc(C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000904307813 635558765 /nfs/dbraw/zinc/55/87/65/635558765.db2.gz WQXCTTGKQSNAJU-GASCZTMLSA-N 2 0 273.424 2.454 20 10 CECDRP COc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1O ZINC000841080461 635827055 /nfs/dbraw/zinc/82/70/55/635827055.db2.gz QFTMTMCIFQKLNH-NSHDSACASA-N 2 0 252.358 2.008 20 10 CECDRP CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1F ZINC000906508770 636760576 /nfs/dbraw/zinc/76/05/76/636760576.db2.gz ZJCFUKIEBFENAH-JOCQHMNTSA-N 2 0 265.376 2.251 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087472 637566166 /nfs/dbraw/zinc/56/61/66/637566166.db2.gz OECNJXWKJWMIEP-UKRRQHHQSA-N 2 0 290.407 2.365 20 10 CECDRP CN(C)c1ccc(/C=C\CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000835055175 638040785 /nfs/dbraw/zinc/04/07/85/638040785.db2.gz WFFIVMFQOVURJY-FPXTWJHWSA-N 2 0 285.435 2.259 20 10 CECDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841031324 639622487 /nfs/dbraw/zinc/62/24/87/639622487.db2.gz ROTYXBNHUPSCTB-MFKMUULPSA-N 2 0 252.333 2.138 20 10 CECDRP Cc1cc(Br)cc(C[NH2+]CC(C)(C)[NH3+])c1O ZINC000841030379 639622688 /nfs/dbraw/zinc/62/26/88/639622688.db2.gz GTALQRRNIHJRFQ-UHFFFAOYSA-N 2 0 287.201 2.290 20 10 CECDRP Cc1ccc(O)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841032569 639623451 /nfs/dbraw/zinc/62/34/51/639623451.db2.gz TVODIDVMZYPXAI-UHFFFAOYSA-N 2 0 270.376 2.492 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OC ZINC000841051971 639633680 /nfs/dbraw/zinc/63/36/80/639633680.db2.gz SRHJJLTULHQEQE-LBPRGKRZSA-N 2 0 266.385 2.059 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(O)c1 ZINC000841057048 639635206 /nfs/dbraw/zinc/63/52/06/639635206.db2.gz HHFXWNBNLHKVNV-CYBMUJFWSA-N 2 0 264.369 2.023 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1O ZINC000841083244 639649303 /nfs/dbraw/zinc/64/93/03/639649303.db2.gz ABBGIZPKCOAIOV-CABZTGNLSA-N 2 0 284.787 2.271 20 10 CECDRP COc1cccc(O)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000841080527 639649573 /nfs/dbraw/zinc/64/95/73/639649573.db2.gz SBCRUHQBQDBLON-NSHDSACASA-N 2 0 252.358 2.008 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1O ZINC000841084549 639650151 /nfs/dbraw/zinc/65/01/51/639650151.db2.gz KQASXBZLPFYHSK-AAEUAGOBSA-N 2 0 264.369 2.008 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1O ZINC000228673980 639651225 /nfs/dbraw/zinc/65/12/25/639651225.db2.gz DKOLIIHWPZTXMZ-LLVKDONJSA-N 2 0 298.814 2.486 20 10 CECDRP COc1cc(O)c(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843055635 640258523 /nfs/dbraw/zinc/25/85/23/640258523.db2.gz IUHLQFSHFNZFPJ-UHFFFAOYSA-N 2 0 294.395 2.111 20 10 CECDRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(O)c1 ZINC000843059727 640262369 /nfs/dbraw/zinc/26/23/69/640262369.db2.gz RBAODYCQKLEMRJ-VBNZEHGJSA-N 2 0 290.407 2.350 20 10 CECDRP Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1O ZINC000843120160 640289072 /nfs/dbraw/zinc/28/90/72/640289072.db2.gz FTWLMIVFLZZXQT-UHFFFAOYSA-N 2 0 260.381 2.276 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125597 640292554 /nfs/dbraw/zinc/29/25/54/640292554.db2.gz YMDTWIUXFBFCSA-CHWSQXEVSA-N 2 0 278.371 2.353 20 10 CECDRP [NH3+]Cc1ccc2c(c1)CCCN2CC[C@@H]1CCC[NH2+]C1 ZINC000843350043 640399841 /nfs/dbraw/zinc/39/98/41/640399841.db2.gz IOOQMJWHADEPMT-AWEZNQCLSA-N 2 0 273.424 2.288 20 10 CECDRP Oc1ccc(Cl)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994854 640409103 /nfs/dbraw/zinc/40/91/03/640409103.db2.gz DHKDJUZINNPYCT-AWEZNQCLSA-N 2 0 266.772 2.231 20 10 CECDRP COc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1O ZINC000844904385 640860944 /nfs/dbraw/zinc/86/09/44/640860944.db2.gz KAYAGWWWHPXZDU-UHFFFAOYSA-N 2 0 290.338 2.288 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000848718426 642110924 /nfs/dbraw/zinc/11/09/24/642110924.db2.gz MOVAWMRTBQAVCR-JKSUJKDBSA-N 2 0 273.424 2.429 20 10 CECDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921716704 642559045 /nfs/dbraw/zinc/55/90/45/642559045.db2.gz JOKJTWQFAVPZEE-HNNXBMFYSA-N 2 0 274.408 2.443 20 10 CECDRP Cc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c1 ZINC000877642690 650831124 /nfs/dbraw/zinc/83/11/24/650831124.db2.gz QXVVBHKBKAVWRI-MRXNPFEDSA-N 2 0 292.423 2.243 20 10 CECDRP C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)c2c1c(F)ccc2O ZINC000854226035 644016145 /nfs/dbraw/zinc/01/61/45/644016145.db2.gz CSGCLXNSQWUXAX-MSYMGVCBSA-N 2 0 276.355 2.421 20 10 CECDRP CC(C)C[C@H]([NH3+])CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058229 644783762 /nfs/dbraw/zinc/78/37/62/644783762.db2.gz OZLPGICHVXLPSL-HNNXBMFYSA-N 2 0 261.413 2.271 20 10 CECDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000126801572 650957570 /nfs/dbraw/zinc/95/75/70/650957570.db2.gz SNLQXCVZMLVHCW-VHSXEESVSA-N 2 0 254.761 2.215 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2c1c(F)ccc2O ZINC000863547162 646753830 /nfs/dbraw/zinc/75/38/30/646753830.db2.gz PRLHORZQYNOWBB-ZYHUDNBSSA-N 2 0 282.359 2.035 20 10 CECDRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc2c(cc1O)CCCC2 ZINC000863546292 646754143 /nfs/dbraw/zinc/75/41/43/646754143.db2.gz KXGUIKPNUGBPBE-CYBMUJFWSA-N 2 0 292.423 2.287 20 10 CECDRP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000863646846 646776190 /nfs/dbraw/zinc/77/61/90/646776190.db2.gz FWOWFDDWIDAJKG-UHFFFAOYSA-N 2 0 286.803 2.022 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1O ZINC000122251443 648225592 /nfs/dbraw/zinc/22/55/92/648225592.db2.gz SUISXPROUVYUGS-JSGCOSHPSA-N 2 0 278.396 2.350 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000708852612 809936485 /nfs/dbraw/zinc/93/64/85/809936485.db2.gz KNDCCIPKNWSAJY-GXSJLCMTSA-N 2 0 284.787 2.081 20 10 CECDRP CSCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410990 816019728 /nfs/dbraw/zinc/01/97/28/816019728.db2.gz OXMIIKHXJSEEIR-UHFFFAOYSA-N 2 0 293.480 2.233 20 10 CECDRP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140750061 816343382 /nfs/dbraw/zinc/34/33/82/816343382.db2.gz UNWFBNOCSUIXAP-GJZGRUSLSA-N 2 0 290.407 2.180 20 10 CECDRP COc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000134006854 366277125 /nfs/dbraw/zinc/27/71/25/366277125.db2.gz AMFIXFNUUIPICH-UHFFFAOYSA-N 2 0 278.396 2.174 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000179633737 368344722 /nfs/dbraw/zinc/34/47/22/368344722.db2.gz YJLCOPSJOBYNCA-CYBMUJFWSA-N 2 0 278.396 2.174 20 10 CECDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1O ZINC000374890899 374636036 /nfs/dbraw/zinc/63/60/36/374636036.db2.gz FEXGDYVJEXMTIW-HLLBOEOZSA-N 2 0 290.407 2.076 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H](C)CC[NH+](C)C)c1O ZINC000228672841 394476369 /nfs/dbraw/zinc/47/63/69/394476369.db2.gz IIVWCVGAGWYJPM-JTQLQIEISA-N 2 0 286.803 2.484 20 10 CECDRP C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(F)ccc1O ZINC000185142694 262044073 /nfs/dbraw/zinc/04/40/73/262044073.db2.gz HOVKWAVECDYEBU-PWSUYJOCSA-N 2 0 252.333 2.276 20 10 CECDRP Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423086766 330168822 /nfs/dbraw/zinc/16/88/22/330168822.db2.gz NZSLPZGLBNTMTE-GFCCVEGCSA-N 2 0 257.381 2.184 20 10 CECDRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(F)ccc2O)C1 ZINC000290647603 523993326 /nfs/dbraw/zinc/99/33/26/523993326.db2.gz YZNPDKXCKXZZIA-DOMZBBRYSA-N 2 0 278.371 2.447 20 10 CECDRP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(O)c1 ZINC000293248558 524332944 /nfs/dbraw/zinc/33/29/44/524332944.db2.gz BMPJZVWGLFAQPU-LSDHHAIUSA-N 2 0 292.423 2.116 20 10 CECDRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(O)cc1C ZINC000160144902 622542964 /nfs/dbraw/zinc/54/29/64/622542964.db2.gz LZKGXADTCOTZNH-UHFFFAOYSA-N 2 0 292.423 2.483 20 10 CECDRP CC[N@H+](CCC[NH3+])Cc1cc(Br)ccc1O ZINC000221636266 631458350 /nfs/dbraw/zinc/45/83/50/631458350.db2.gz CPSUYXPRGRCFMV-UHFFFAOYSA-N 2 0 287.201 2.325 20 10 CECDRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000841032848 631821747 /nfs/dbraw/zinc/82/17/47/631821747.db2.gz GEPVHLODUSXTPD-UKRRQHHQSA-N 2 0 262.397 2.481 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1O ZINC000841037411 631998358 /nfs/dbraw/zinc/99/83/58/631998358.db2.gz SRDHUCKAUSYNGQ-SNVBAGLBSA-N 2 0 284.787 2.143 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000817970045 633813992 /nfs/dbraw/zinc/81/39/92/633813992.db2.gz KFSPTVNMUVBIOO-QJPTWQEYSA-N 2 0 264.369 2.321 20 10 CECDRP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)ccc1O ZINC000817977155 633820137 /nfs/dbraw/zinc/82/01/37/633820137.db2.gz CRKANRWQITYMRB-CZXHOFHRSA-N 2 0 266.772 2.304 20 10 CECDRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C)cc1O ZINC000817982468 633825309 /nfs/dbraw/zinc/82/53/09/633825309.db2.gz SSIJGZIHVRKEEZ-UKRRQHHQSA-N 2 0 278.396 2.120 20 10 CECDRP COc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818431956 633921045 /nfs/dbraw/zinc/92/10/45/633921045.db2.gz XQLTZVRCDYIFCF-CYBMUJFWSA-N 2 0 290.407 2.365 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000904392593 635599357 /nfs/dbraw/zinc/59/93/57/635599357.db2.gz UQUNWWVPLZIPMD-OAHLLOKOSA-N 2 0 290.407 2.030 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407732 635614816 /nfs/dbraw/zinc/61/48/16/635614816.db2.gz ZXLVJDRNOOYBED-AWEZNQCLSA-N 2 0 261.413 2.232 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC000904410130 635616877 /nfs/dbraw/zinc/61/68/77/635616877.db2.gz BETZLCUHUNJKAY-OLZOCXBDSA-N 2 0 278.396 2.208 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412535 635619907 /nfs/dbraw/zinc/61/99/07/635619907.db2.gz VKIBZVZVSDIOPT-QWHCGFSZSA-N 2 0 278.396 2.208 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412532 635619950 /nfs/dbraw/zinc/61/99/50/635619950.db2.gz VKIBZVZVSDIOPT-OLZOCXBDSA-N 2 0 278.396 2.208 20 10 CECDRP Cc1cc(C)c(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000904436177 635630394 /nfs/dbraw/zinc/63/03/94/635630394.db2.gz GHWLAGPJJQMLSW-WBVHZDCISA-N 2 0 274.408 2.393 20 10 CECDRP Cc1cc(Br)cc(C[NH2+]C2CC([NH3+])C2)c1O ZINC000906509247 636760635 /nfs/dbraw/zinc/76/06/35/636760635.db2.gz CCIMVGMTPWVSQE-UHFFFAOYSA-N 2 0 285.185 2.042 20 10 CECDRP Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1O ZINC000906516308 636764009 /nfs/dbraw/zinc/76/40/09/636764009.db2.gz CCIMVGMTPWVSQE-XYPYZODXSA-N 2 0 285.185 2.042 20 10 CECDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841084972 637257144 /nfs/dbraw/zinc/25/71/44/637257144.db2.gz RCQLMGGVADRJTK-NXEZZACHSA-N 2 0 254.761 2.263 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535801 639322276 /nfs/dbraw/zinc/32/22/76/639322276.db2.gz SKVOFSQEJFTLLW-HNNXBMFYSA-N 2 0 261.413 2.184 20 10 CECDRP COc1cc(O)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000841028527 639621651 /nfs/dbraw/zinc/62/16/51/639621651.db2.gz ASFFIYTUAGYKFB-YPMHNXCESA-N 2 0 294.395 2.017 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000841032393 639624071 /nfs/dbraw/zinc/62/40/71/639624071.db2.gz BSNODWGIPIUBBH-KBPBESRZSA-N 2 0 262.397 2.487 20 10 CECDRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841047665 639632242 /nfs/dbraw/zinc/63/22/42/639632242.db2.gz AVCMIVBBEVBVDP-SNVBAGLBSA-N 2 0 289.345 2.456 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1O ZINC000841057298 639635848 /nfs/dbraw/zinc/63/58/48/639635848.db2.gz IWXCDHQJACVKNB-VXGBXAGGSA-N 2 0 284.787 2.414 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841062680 639637625 /nfs/dbraw/zinc/63/76/25/639637625.db2.gz CKEIOHSLYAAIEM-GWCFXTLKSA-N 2 0 268.788 2.442 20 10 CECDRP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CC[NH2+]1 ZINC000841062823 639637758 /nfs/dbraw/zinc/63/77/58/639637758.db2.gz YBAQWEMDUFOMEY-JOYOIKCWSA-N 2 0 299.212 2.385 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CC[NH2+]1 ZINC000841062822 639638244 /nfs/dbraw/zinc/63/82/44/639638244.db2.gz YBAQWEMDUFOMEY-CABZTGNLSA-N 2 0 299.212 2.385 20 10 CECDRP COc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1O ZINC000841072628 639643577 /nfs/dbraw/zinc/64/35/77/639643577.db2.gz LPBNPOZZCZXNJR-ZDUSSCGKSA-N 2 0 264.369 2.023 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000841083274 639649822 /nfs/dbraw/zinc/64/98/22/639649822.db2.gz AKSYMQHCLAWDBS-DZGCQCFKSA-N 2 0 261.413 2.278 20 10 CECDRP c1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCC2 ZINC000841089455 639652838 /nfs/dbraw/zinc/65/28/38/639652838.db2.gz NJDUYDYMLKFWQA-OAHLLOKOSA-N 2 0 272.392 2.386 20 10 CECDRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841748937 639857459 /nfs/dbraw/zinc/85/74/59/639857459.db2.gz CDNXSQDWIGNXNJ-LLVKDONJSA-N 2 0 298.814 2.153 20 10 CECDRP COc1ccc(O)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843043832 640250056 /nfs/dbraw/zinc/25/00/56/640250056.db2.gz JRVVVVCBRSXZCU-UHFFFAOYSA-N 2 0 276.380 2.117 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045445 640251522 /nfs/dbraw/zinc/25/15/22/640251522.db2.gz QQGVDPCZHGIWMU-UKRRQHHQSA-N 2 0 290.407 2.365 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000843059942 640262727 /nfs/dbraw/zinc/26/27/27/640262727.db2.gz VQTPVOWWXPWHGM-SQWLQELKSA-N 2 0 291.414 2.451 20 10 CECDRP CCOc1ccc(O)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000843126301 640293687 /nfs/dbraw/zinc/29/36/87/640293687.db2.gz IKGJQMYOJIPETR-UHFFFAOYSA-N 2 0 290.407 2.366 20 10 CECDRP [NH3+]C[C@@H]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000877428009 650716593 /nfs/dbraw/zinc/71/65/93/650716593.db2.gz REEZAXAFAUVKRK-PEGRTIRESA-N 2 0 299.418 2.021 20 10 CECDRP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000877477404 650739756 /nfs/dbraw/zinc/73/97/56/650739756.db2.gz CRURUEKZJURCSP-HNNXBMFYSA-N 2 0 292.423 2.291 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923291455 643638021 /nfs/dbraw/zinc/63/80/21/643638021.db2.gz SQMIGAFBIGEWPD-ZFWWWQNUSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)c2c1c(F)ccc2O ZINC000854226033 644016544 /nfs/dbraw/zinc/01/65/44/644016544.db2.gz CSGCLXNSQWUXAX-IUBWYBMYSA-N 2 0 276.355 2.421 20 10 CECDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000771823804 646556175 /nfs/dbraw/zinc/55/61/75/646556175.db2.gz SSWKVGVFQNUSQO-AWEZNQCLSA-N 2 0 273.424 2.327 20 10 CECDRP C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000873216316 649593128 /nfs/dbraw/zinc/59/31/28/649593128.db2.gz MSHUAYWOBKMRLP-ATQQARJTSA-N 2 0 273.424 2.292 20 10 CECDRP C[N@H+](CCCCCC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000873231379 649602368 /nfs/dbraw/zinc/60/23/68/649602368.db2.gz HJVMEHSPBXZBSL-UHFFFAOYSA-N 2 0 280.368 2.072 20 10 CECDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC001118960203 815058589 /nfs/dbraw/zinc/05/85/89/815058589.db2.gz WARHOBZGLOIZGV-CHWSQXEVSA-N 2 0 290.407 2.346 20 10 CECDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001169090163 811383226 /nfs/dbraw/zinc/38/32/26/811383226.db2.gz HYKDXXSLSFBOJH-PHZGNYQRSA-N 2 0 272.392 2.336 20 10 CECDRP Cc1cc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)cc[nH+]1 ZINC001141163274 816493828 /nfs/dbraw/zinc/49/38/28/816493828.db2.gz YDNIFBRCYSREOU-UHFFFAOYSA-N 2 0 299.374 2.123 20 10 CECDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069160314 816861620 /nfs/dbraw/zinc/86/16/20/816861620.db2.gz FHTGMFKWMINDTQ-OAHLLOKOSA-N 2 0 274.408 2.443 20 10 CECDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3O)CC[C@H]21 ZINC000228183294 370399633 /nfs/dbraw/zinc/39/96/33/370399633.db2.gz QLPCLSCAAFVWKM-UKRRQHHQSA-N 2 0 260.381 2.308 20 10 CECDRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1O ZINC000155739954 261106904 /nfs/dbraw/zinc/10/69/04/261106904.db2.gz JECCOCMWKMKBRY-GOEBONIOSA-N 2 0 291.439 2.069 20 10 CECDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000227328014 333280746 /nfs/dbraw/zinc/28/07/46/333280746.db2.gz LSAXPSFFACRTLS-UHFFFAOYSA-N 2 0 274.408 2.443 20 10 CECDRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738226178 574854444 /nfs/dbraw/zinc/85/44/44/574854444.db2.gz VQIOMWRMZWBPAK-CYBMUJFWSA-N 2 0 274.408 2.264 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000090720251 623543743 /nfs/dbraw/zinc/54/37/43/623543743.db2.gz FNDIGJYMDPSVHM-DOMZBBRYSA-N 2 0 260.381 2.194 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)cc1 ZINC000924575277 625947271 /nfs/dbraw/zinc/94/72/71/625947271.db2.gz UFKWJZOUVOGLTE-FKEKPDDDSA-N 2 0 273.424 2.182 20 10 CECDRP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000894188222 629198319 /nfs/dbraw/zinc/19/83/19/629198319.db2.gz SHZFOFNGEQCMEV-CABCVRRESA-N 2 0 290.407 2.426 20 10 CECDRP COc1cc(C)cc(C[NH2+][C@H](C)CC[NH+](C)C)c1O ZINC000894211262 629229428 /nfs/dbraw/zinc/22/94/28/629229428.db2.gz NBSUGIORCLTKBR-GFCCVEGCSA-N 2 0 266.385 2.139 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000843129233 631770539 /nfs/dbraw/zinc/77/05/39/631770539.db2.gz OEEQVDNNUHVJCN-MNOVXSKESA-N 2 0 252.358 2.006 20 10 CECDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817900636 633761924 /nfs/dbraw/zinc/76/19/24/633761924.db2.gz PCNBIEYBQFFDSV-WFASDCNBSA-N 2 0 279.403 2.369 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])ccc21 ZINC000817901866 633762549 /nfs/dbraw/zinc/76/25/49/633762549.db2.gz YWHFYHJHDXSUFA-CVEARBPZSA-N 2 0 273.424 2.286 20 10 CECDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc2ccccc2c1O ZINC000817944630 633792791 /nfs/dbraw/zinc/79/27/91/633792791.db2.gz INZCCQJCAPGDGB-AWEZNQCLSA-N 2 0 299.418 2.101 20 10 CECDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H]2CCC[C@H]21 ZINC000817957713 633799619 /nfs/dbraw/zinc/79/96/19/633799619.db2.gz OMYBXRIVUXEZSS-IXDOHACOSA-N 2 0 273.424 2.274 20 10 CECDRP CCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432644 635115093 /nfs/dbraw/zinc/11/50/93/635115093.db2.gz IOGUSPMXVIDVJL-HIFRSBDPSA-N 2 0 262.397 2.460 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959803 635368956 /nfs/dbraw/zinc/36/89/56/635368956.db2.gz OTLFABARUXBAEI-QGZVFWFLSA-N 2 0 290.407 2.366 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC000904410132 635616749 /nfs/dbraw/zinc/61/67/49/635616749.db2.gz BETZLCUHUNJKAY-STQMWFEESA-N 2 0 278.396 2.208 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](CN)C(C)(C)C)c1O ZINC000841088093 637672959 /nfs/dbraw/zinc/67/29/59/637672959.db2.gz WUUZNOXCNJJEBV-ZDUSSCGKSA-N 2 0 266.385 2.254 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000841032358 639624180 /nfs/dbraw/zinc/62/41/80/639624180.db2.gz BMMJMXDAOYUVEZ-TZMCWYRMSA-N 2 0 279.403 2.369 20 10 CECDRP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000841033069 639624973 /nfs/dbraw/zinc/62/49/73/639624973.db2.gz KABMCBQLZKZCAK-OLZOCXBDSA-N 2 0 278.396 2.269 20 10 CECDRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841056925 639634436 /nfs/dbraw/zinc/63/44/36/639634436.db2.gz FYUXGIGPEDWXGT-ZJUUUORDSA-N 2 0 254.761 2.405 20 10 CECDRP COc1ccc(O)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197476 639840811 /nfs/dbraw/zinc/84/08/11/639840811.db2.gz VYTCUOUQHJCDSW-MRXNPFEDSA-N 2 0 290.407 2.365 20 10 CECDRP CCC[N@H+](Cc1cccc(OC)c1O)C1CC[NH2+]CC1 ZINC000843045242 640251039 /nfs/dbraw/zinc/25/10/39/640251039.db2.gz SJRIBIYIRGNVLO-UHFFFAOYSA-N 2 0 278.396 2.365 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000843114944 640284955 /nfs/dbraw/zinc/28/49/55/640284955.db2.gz LRKVVJNXSOHJTF-CHYADLBTSA-N 2 0 273.424 2.437 20 10 CECDRP COc1cccc(O)c1C[NH2+]CCCCCC[NH3+] ZINC000843126495 640293220 /nfs/dbraw/zinc/29/32/20/640293220.db2.gz HFRNCBVCLKILNN-UHFFFAOYSA-N 2 0 252.358 2.010 20 10 CECDRP CCOc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1O ZINC000843129639 640296148 /nfs/dbraw/zinc/29/61/48/640296148.db2.gz RBGYRMFNYGOBER-GHMZBOCLSA-N 2 0 252.358 2.006 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000843342788 640394686 /nfs/dbraw/zinc/39/46/86/640394686.db2.gz ONWQFGIGBYGQFR-RRFJBIMHSA-N 2 0 291.414 2.369 20 10 CECDRP [NH3+]Cc1ccc2c(c1)CCCN2CCC1CC[NH2+]CC1 ZINC000843350131 640399145 /nfs/dbraw/zinc/39/91/45/640399145.db2.gz JWXAPBHUHGLPMV-UHFFFAOYSA-N 2 0 273.424 2.288 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(O)c1 ZINC000846699699 641400270 /nfs/dbraw/zinc/40/02/70/641400270.db2.gz VVZUCDTVXGHNJA-WCQYABFASA-N 2 0 264.369 2.103 20 10 CECDRP [NH3+]C[C@@H]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000877428008 650716449 /nfs/dbraw/zinc/71/64/49/650716449.db2.gz REEZAXAFAUVKRK-JSMHICHCSA-N 2 0 299.418 2.021 20 10 CECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(CC)c1O ZINC000848901278 642180049 /nfs/dbraw/zinc/18/00/49/642180049.db2.gz RBWQHMMTFWSWOY-INIZCTEOSA-N 2 0 294.439 2.401 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)C2)cc1 ZINC000849350315 642340379 /nfs/dbraw/zinc/34/03/79/642340379.db2.gz NPABNJXOCIWEJP-CABCVRRESA-N 2 0 291.439 2.237 20 10 CECDRP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000877569822 650794233 /nfs/dbraw/zinc/79/42/33/650794233.db2.gz ALLXPOMULSHRLK-GOOCMWNKSA-N 2 0 260.381 2.415 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923493311 643737172 /nfs/dbraw/zinc/73/71/72/643737172.db2.gz RYMBSMZIDFZZHG-GOEBONIOSA-N 2 0 275.440 2.478 20 10 CECDRP CCc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877739427 650881587 /nfs/dbraw/zinc/88/15/87/650881587.db2.gz FUCZOVXXBGYEJP-GOEBONIOSA-N 2 0 274.408 2.481 20 10 CECDRP Cc1cccc(O)c1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743058 650889007 /nfs/dbraw/zinc/88/90/07/650889007.db2.gz TUDPNUHVEJONRF-ZFWWWQNUSA-N 2 0 260.381 2.227 20 10 CECDRP COc1ccc(O)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000839182815 644182444 /nfs/dbraw/zinc/18/24/44/644182444.db2.gz PWFZXDQONMZANR-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP CN(C)c1cc(F)c(C[NH2+]CCn2ccnc2)cc1F ZINC000858087816 645057063 /nfs/dbraw/zinc/05/70/63/645057063.db2.gz UDTLITKVJKMBOL-UHFFFAOYSA-N 2 0 280.322 2.017 20 10 CECDRP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1O ZINC000862367502 646417762 /nfs/dbraw/zinc/41/77/62/646417762.db2.gz KXKGNLAZHGTMKT-CYBMUJFWSA-N 2 0 278.396 2.363 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccoc3)cc2)CC1 ZINC000771824641 646556401 /nfs/dbraw/zinc/55/64/01/646556401.db2.gz OSCASJCAEGYDNK-UHFFFAOYSA-N 2 0 285.391 2.321 20 10 CECDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cn[nH]c1 ZINC000771859561 646560846 /nfs/dbraw/zinc/56/08/46/646560846.db2.gz UAVROOHKZFGXDE-AWEZNQCLSA-N 2 0 299.422 2.012 20 10 CECDRP CCN(C)c1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000863548344 646754783 /nfs/dbraw/zinc/75/47/83/646754783.db2.gz XMOGTHRGRLIVNW-AWEZNQCLSA-N 2 0 279.428 2.159 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)c2c1c(F)ccc2O ZINC000774375634 646839360 /nfs/dbraw/zinc/83/93/60/646839360.db2.gz DETWSCQTBCWJOE-YPMHNXCESA-N 2 0 296.386 2.247 20 10 CECDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000793771599 648795921 /nfs/dbraw/zinc/79/59/21/648795921.db2.gz ZHEBJKOQYIHCBC-SFHVURJKSA-N 2 0 286.419 2.409 20 10 CECDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883161380 652384096 /nfs/dbraw/zinc/38/40/96/652384096.db2.gz QBXWHIDRPLCFBT-WVSHTKLVSA-N 2 0 270.323 2.100 20 10 CECDRP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC001118960205 815058123 /nfs/dbraw/zinc/05/81/23/815058123.db2.gz WARHOBZGLOIZGV-QWHCGFSZSA-N 2 0 290.407 2.346 20 10 CECDRP Oc1cccc(Br)c1C[NH2+]CCCN1CCC1 ZINC000706825178 809855715 /nfs/dbraw/zinc/85/57/15/809855715.db2.gz PLIBXXQHPRLADG-UHFFFAOYSA-N 2 0 299.212 2.340 20 10 CECDRP Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(O)c1 ZINC001140957550 816425426 /nfs/dbraw/zinc/42/54/26/816425426.db2.gz DFBACWLKVIPOTA-UHFFFAOYSA-N 2 0 260.381 2.228 20 10 CECDRP C[N@@H+](Cc1cc(F)ccc1O)CC1CC[NH+](C)CC1 ZINC000180075511 368366485 /nfs/dbraw/zinc/36/64/85/368366485.db2.gz RUOMXCHZTXIXQE-UHFFFAOYSA-N 2 0 266.360 2.305 20 10 CECDRP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000124702933 394839891 /nfs/dbraw/zinc/83/98/91/394839891.db2.gz QKAZUCIAMNGAQA-CYBMUJFWSA-N 2 0 260.381 2.275 20 10 CECDRP C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000154543654 395023505 /nfs/dbraw/zinc/02/35/05/395023505.db2.gz YIEXUBCFTFDDTM-XJKSGUPXSA-N 2 0 261.413 2.497 20 10 CECDRP c1ccc2c(c1)C[NH2+]CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000662244752 415706678 /nfs/dbraw/zinc/70/66/78/415706678.db2.gz GXNYRTWEDVDDMV-UHFFFAOYSA-N 2 0 293.414 2.442 20 10 CECDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000368734746 524910181 /nfs/dbraw/zinc/91/01/81/524910181.db2.gz ZYOOVWCUZOWFKV-KEYYUXOJSA-N 2 0 287.451 2.497 20 10 CECDRP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000112017188 526038523 /nfs/dbraw/zinc/03/85/23/526038523.db2.gz CUVLSCBCTBJFPJ-UONOGXRCSA-N 2 0 276.380 2.117 20 10 CECDRP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(O)c1OC ZINC000892517090 625873873 /nfs/dbraw/zinc/87/38/73/625873873.db2.gz XSTZOVBTUYLAGO-UHFFFAOYSA-N 2 0 296.411 2.229 20 10 CECDRP C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1C[NH3+] ZINC000163492951 627354314 /nfs/dbraw/zinc/35/43/14/627354314.db2.gz GQFSAHIEOFEREF-QWRGUYRKSA-N 2 0 268.788 2.462 20 10 CECDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925790561 628835139 /nfs/dbraw/zinc/83/51/39/628835139.db2.gz ISWPUUKSPNCHEI-IPYPFGDCSA-N 2 0 261.413 2.259 20 10 CECDRP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000894188225 629198506 /nfs/dbraw/zinc/19/85/06/629198506.db2.gz SHZFOFNGEQCMEV-HUUCEWRRSA-N 2 0 290.407 2.426 20 10 CECDRP CN(C)c1ccc(/C=C\CNC[C@H]2CCCC[NH2+]2)cc1 ZINC000841033266 631820993 /nfs/dbraw/zinc/82/09/93/631820993.db2.gz MGTODXOFZSMLME-OGZRUICASA-N 2 0 273.424 2.498 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000841064065 632378325 /nfs/dbraw/zinc/37/83/25/632378325.db2.gz OTHINFJJXNDYEI-GXFFZTMASA-N 2 0 268.788 2.442 20 10 CECDRP CSC1(C[NH2+]Cc2cc(F)ccc2O)CC[NH+](C)CC1 ZINC000811513890 632394878 /nfs/dbraw/zinc/39/48/78/632394878.db2.gz UXWUHHBQUMFBDK-UHFFFAOYSA-N 2 0 298.427 2.448 20 10 CECDRP COCC1(C[NH2+]Cc2ccc(OC)c(C)c2)CC[NH2+]CC1 ZINC000841067509 632459319 /nfs/dbraw/zinc/45/93/19/632459319.db2.gz BFZDIICFKKLVKJ-UHFFFAOYSA-N 2 0 292.423 2.109 20 10 CECDRP C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816649409 633456820 /nfs/dbraw/zinc/45/68/20/633456820.db2.gz YRSYQVJULKDECC-LSDHHAIUSA-N 2 0 273.424 2.279 20 10 CECDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000817958473 633800731 /nfs/dbraw/zinc/80/07/31/633800731.db2.gz WHMWMAGYRYSTJE-RDTXWAMCSA-N 2 0 283.419 2.359 20 10 CECDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817963016 633805296 /nfs/dbraw/zinc/80/52/96/633805296.db2.gz QFUTXYMEFYOXBG-BDAKNGLRSA-N 2 0 287.201 2.400 20 10 CECDRP C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC[NH2+]C1 ZINC000817966443 633808906 /nfs/dbraw/zinc/80/89/06/633808906.db2.gz NZWKBZQDYSCCAP-CJNGLKHVSA-N 2 0 260.381 2.359 20 10 CECDRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)[NH3+])c1O ZINC000817972966 633815847 /nfs/dbraw/zinc/81/58/47/633815847.db2.gz QOSBBBDICBZVED-IUCAKERBSA-N 2 0 287.201 2.461 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000817976410 633819871 /nfs/dbraw/zinc/81/98/71/633819871.db2.gz LKGVQVYXFNZXPQ-IAQYHMDHSA-N 2 0 276.380 2.194 20 10 CECDRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817982703 633826634 /nfs/dbraw/zinc/82/66/34/633826634.db2.gz VNUDWIDPBFUMDX-TZMCWYRMSA-N 2 0 298.814 2.465 20 10 CECDRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1O)CC[NH2+]CC2 ZINC000818431356 633921008 /nfs/dbraw/zinc/92/10/08/633921008.db2.gz JTXZYJLALBWMRQ-CYBMUJFWSA-N 2 0 260.381 2.356 20 10 CECDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355217 635586813 /nfs/dbraw/zinc/58/68/13/635586813.db2.gz LRWRFXNWRVZAQQ-INIZCTEOSA-N 2 0 274.408 2.489 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410565 635616438 /nfs/dbraw/zinc/61/64/38/635616438.db2.gz OQWIUXGPQADDIN-HUUCEWRRSA-N 2 0 275.440 2.478 20 10 CECDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841084973 637257249 /nfs/dbraw/zinc/25/72/49/637257249.db2.gz RCQLMGGVADRJTK-UWVGGRQHSA-N 2 0 254.761 2.263 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841089560 637714577 /nfs/dbraw/zinc/71/45/77/637714577.db2.gz IHDCBXBRCIUPMG-UHFFFAOYSA-N 2 0 261.413 2.293 20 10 CECDRP Oc1ccc(F)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000226619137 639555697 /nfs/dbraw/zinc/55/56/97/639555697.db2.gz TURMJKXHUDGTGC-UHFFFAOYSA-N 2 0 252.333 2.107 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000840935969 639591528 /nfs/dbraw/zinc/59/15/28/639591528.db2.gz FIYZTUCWHXIZHF-UHFFFAOYSA-N 2 0 273.424 2.413 20 10 CECDRP COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1O ZINC000841030123 639622562 /nfs/dbraw/zinc/62/25/62/639622562.db2.gz KJXIMGXNJCDEJD-DGCLKSJQSA-N 2 0 264.369 2.008 20 10 CECDRP CC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC[NH2+]CC1 ZINC000841053945 639633263 /nfs/dbraw/zinc/63/32/63/639633263.db2.gz DAIQBUHLKCXSPD-UHFFFAOYSA-N 2 0 260.381 2.101 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000841056961 639634886 /nfs/dbraw/zinc/63/48/86/639634886.db2.gz GHHHPHFILQXGPU-QWHCGFSZSA-N 2 0 265.376 2.251 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(O)c1 ZINC000841061423 639637197 /nfs/dbraw/zinc/63/71/97/639637197.db2.gz IVJGSIFVHFZJSH-AAEUAGOBSA-N 2 0 264.369 2.021 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000841081324 639648542 /nfs/dbraw/zinc/64/85/42/639648542.db2.gz UPEYLFQBUFCJJE-NSHDSACASA-N 2 0 252.358 2.008 20 10 CECDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841080844 639649110 /nfs/dbraw/zinc/64/91/10/639649110.db2.gz QYHIREBZFCRYQI-LLVKDONJSA-N 2 0 253.365 2.109 20 10 CECDRP CCOCc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000841085185 639650693 /nfs/dbraw/zinc/65/06/93/639650693.db2.gz WGHOAKCZUOCOKA-CJNGLKHVSA-N 2 0 292.423 2.449 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841099570 639657452 /nfs/dbraw/zinc/65/74/52/639657452.db2.gz MEQGGSQAESGADI-BBRMVZONSA-N 2 0 275.440 2.478 20 10 CECDRP CCC[N@H+](Cc1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC000843044070 640250025 /nfs/dbraw/zinc/25/00/25/640250025.db2.gz CDQHJALJPCEHQF-UHFFFAOYSA-N 2 0 266.360 2.495 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843113992 640285304 /nfs/dbraw/zinc/28/53/04/640285304.db2.gz FFWARKBJCWQSNK-INIZCTEOSA-N 2 0 261.413 2.232 20 10 CECDRP CCOc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1O ZINC000843125879 640292063 /nfs/dbraw/zinc/29/20/63/640292063.db2.gz BKQWBMBXDDNWBF-UHFFFAOYSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1O ZINC000843126049 640293298 /nfs/dbraw/zinc/29/32/98/640293298.db2.gz FLONWDCFBNXZEB-OKILXGFUSA-N 2 0 260.381 2.132 20 10 CECDRP COc1ccc(N(C)CC[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000844839836 640850312 /nfs/dbraw/zinc/85/03/12/640850312.db2.gz YDWKVHRZTPZQEK-UHFFFAOYSA-N 2 0 291.439 2.063 20 10 CECDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2O)C1 ZINC000844909973 640862897 /nfs/dbraw/zinc/86/28/97/640862897.db2.gz FWWXHOBGLXYQRJ-INMHGKMJSA-N 2 0 290.407 2.253 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](F)C3)cc2)CC1 ZINC000846121386 641193976 /nfs/dbraw/zinc/19/39/76/641193976.db2.gz YYZCTDUYBZNJOT-MRXNPFEDSA-N 2 0 291.414 2.372 20 10 CECDRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000846698209 641400927 /nfs/dbraw/zinc/40/09/27/641400927.db2.gz CHBNLGIMFDWPGY-YPMHNXCESA-N 2 0 265.376 2.203 20 10 CECDRP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000877742687 650887152 /nfs/dbraw/zinc/88/71/52/650887152.db2.gz QOTRPRPMKJLIRY-ZFWWWQNUSA-N 2 0 260.381 2.227 20 10 CECDRP COc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1O ZINC000839181498 644181447 /nfs/dbraw/zinc/18/14/47/644181447.db2.gz IZPAECPWRSEDKV-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(O)c1 ZINC000862352919 646407810 /nfs/dbraw/zinc/40/78/10/646407810.db2.gz JCRVITHSHDGDHM-ZDUSSCGKSA-N 2 0 278.396 2.363 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cn[nH]c1 ZINC000771859563 646561075 /nfs/dbraw/zinc/56/10/75/646561075.db2.gz UAVROOHKZFGXDE-CQSZACIVSA-N 2 0 299.422 2.012 20 10 CECDRP C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC[NH2+]CC1 ZINC000873272594 649620444 /nfs/dbraw/zinc/62/04/44/649620444.db2.gz VBMJQBUSPJRNRN-SMDDNHRTSA-N 2 0 260.381 2.357 20 10 CECDRP c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001118180540 814990881 /nfs/dbraw/zinc/99/08/81/814990881.db2.gz KEDWNINYEMMZGN-AEFFLSMTSA-N 2 0 285.435 2.471 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001172104313 815293508 /nfs/dbraw/zinc/29/35/08/815293508.db2.gz DUEGSECQJYHGPC-QKDCVEJESA-N 2 0 290.407 2.245 20 10 CECDRP CN1CCCc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206163355 815349525 /nfs/dbraw/zinc/34/95/25/815349525.db2.gz BUPFADBAAHPETF-JKSUJKDBSA-N 2 0 291.414 2.330 20 10 CECDRP C[C@H](CC[NH2+]Cc1cc(Cl)ccc1O)[NH+](C)C ZINC000697835603 814652673 /nfs/dbraw/zinc/65/26/73/814652673.db2.gz FVBOLESPLHAELQ-SNVBAGLBSA-N 2 0 256.777 2.475 20 10 CECDRP Cc1c(O)ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1O ZINC001140745868 816341756 /nfs/dbraw/zinc/34/17/56/816341756.db2.gz OJGOSFFPRHWXKI-UHFFFAOYSA-N 2 0 278.396 2.180 20 10 CECDRP Cc1ccc(O)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000133999272 366276946 /nfs/dbraw/zinc/27/69/46/366276946.db2.gz WJWMTBQAWFPGAG-UHFFFAOYSA-N 2 0 262.397 2.474 20 10 CECDRP Cc1nccn1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000273468008 373760466 /nfs/dbraw/zinc/76/04/66/373760466.db2.gz FEZIRDBPSLDXGN-SNVBAGLBSA-N 2 0 263.316 2.387 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292752737 395204312 /nfs/dbraw/zinc/20/43/12/395204312.db2.gz IPVDHQDPPHVIQZ-MRXNPFEDSA-N 2 0 260.381 2.228 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290611157 263117790 /nfs/dbraw/zinc/11/77/90/263117790.db2.gz WPKIGHQENSOUCS-XJKSGUPXSA-N 2 0 290.407 2.317 20 10 CECDRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000044516917 523765549 /nfs/dbraw/zinc/76/55/49/523765549.db2.gz XXKHXIWOSLLNQT-UHFFFAOYSA-N 2 0 260.381 2.053 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CC[N@@H+]1C ZINC000157680871 524807223 /nfs/dbraw/zinc/80/72/23/524807223.db2.gz ADBLIDFOSXVYOJ-BBRMVZONSA-N 2 0 273.424 2.251 20 10 CECDRP CCOc1cccc(C[NH2+]C2CCC([NH3+])CC2)c1O ZINC000051693755 624522561 /nfs/dbraw/zinc/52/25/61/624522561.db2.gz QOJXFFZJHKFBSR-UHFFFAOYSA-N 2 0 264.369 2.150 20 10 CECDRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000925798314 628844924 /nfs/dbraw/zinc/84/49/24/628844924.db2.gz QOLGCCABIUNGHV-GRYCIOLGSA-N 2 0 266.360 2.428 20 10 CECDRP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000796526920 629924148 /nfs/dbraw/zinc/92/41/48/629924148.db2.gz SHDBCHKSKZFBRJ-WMLDXEAASA-N 2 0 273.424 2.327 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841028663 631810184 /nfs/dbraw/zinc/81/01/84/631810184.db2.gz BXEDWBOFQGUJGG-SMDDNHRTSA-N 2 0 264.369 2.008 20 10 CECDRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[C@@H]21 ZINC000817957714 633799510 /nfs/dbraw/zinc/79/95/10/633799510.db2.gz OMYBXRIVUXEZSS-ULQDDVLXSA-N 2 0 273.424 2.274 20 10 CECDRP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)ccc1O ZINC000817964918 633806550 /nfs/dbraw/zinc/80/65/50/633806550.db2.gz JGSLEFWURCMBGK-PELKAZGASA-N 2 0 254.761 2.434 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970772 633813919 /nfs/dbraw/zinc/81/39/19/633813919.db2.gz DWGUFMMGPJRVTO-SRVKXCTJSA-N 2 0 264.369 2.192 20 10 CECDRP CCOc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1O ZINC000841072269 634275167 /nfs/dbraw/zinc/27/51/67/634275167.db2.gz HUNMEFWUESJNJW-CQSZACIVSA-N 2 0 278.396 2.413 20 10 CECDRP Nc1ccc(CC[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000904353178 635585664 /nfs/dbraw/zinc/58/56/64/635585664.db2.gz HTIVUKQNVPFFEK-UHFFFAOYSA-N 2 0 255.365 2.060 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904410136 635616130 /nfs/dbraw/zinc/61/61/30/635616130.db2.gz BHTQMDDURJWWJP-GXTWGEPZSA-N 2 0 279.403 2.308 20 10 CECDRP Cc1cc(O)c(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC000841105674 639677547 /nfs/dbraw/zinc/67/75/47/639677547.db2.gz XUFXHXAXFHYEDW-INIZCTEOSA-N 2 0 260.381 2.337 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c(O)c1 ZINC000843044597 640249599 /nfs/dbraw/zinc/24/95/99/640249599.db2.gz KXFPNVPMRWPIMZ-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000843048559 640253601 /nfs/dbraw/zinc/25/36/01/640253601.db2.gz HKJWSRVLSMMOBE-AWEZNQCLSA-N 2 0 279.403 2.453 20 10 CECDRP CCOc1ccc(O)c(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843055434 640257146 /nfs/dbraw/zinc/25/71/46/640257146.db2.gz CCKOHFZLBOKLSK-UHFFFAOYSA-N 2 0 278.396 2.493 20 10 CECDRP Cc1cc(O)c(C[N@@H+](C)CC(C)(C)C[NH3+])cc1C ZINC000843056517 640258311 /nfs/dbraw/zinc/25/83/11/640258311.db2.gz OWSKUPCXSCQRHE-UHFFFAOYSA-N 2 0 250.386 2.426 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC000843114475 640285574 /nfs/dbraw/zinc/28/55/74/640285574.db2.gz CPMZHYZIOHHNHH-KRWDZBQOSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843118272 640288368 /nfs/dbraw/zinc/28/83/68/640288368.db2.gz GGJDDCMBAGXEGM-MRXNPFEDSA-N 2 0 260.381 2.276 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843120189 640288930 /nfs/dbraw/zinc/28/89/30/640288930.db2.gz PFSHCPCYODSDJY-UHFFFAOYSA-N 2 0 273.424 2.328 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848562932 642054991 /nfs/dbraw/zinc/05/49/91/642054991.db2.gz MXQATXFSYKUKFP-FZNQNYSPSA-N 2 0 261.413 2.182 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CC2([NH3+])CCCC2)c1O ZINC000849350159 642340333 /nfs/dbraw/zinc/34/03/33/642340333.db2.gz SJPXOJHTNXGEFD-UHFFFAOYSA-N 2 0 284.787 2.415 20 10 CECDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921716705 642559180 /nfs/dbraw/zinc/55/91/80/642559180.db2.gz JOKJTWQFAVPZEE-OAHLLOKOSA-N 2 0 274.408 2.443 20 10 CECDRP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923414071 643701851 /nfs/dbraw/zinc/70/18/51/643701851.db2.gz ZPBKKDYMNORIRS-HIFRSBDPSA-N 2 0 261.413 2.088 20 10 CECDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000839183314 644182772 /nfs/dbraw/zinc/18/27/72/644182772.db2.gz WFAGAINRNUGRMD-CQSZACIVSA-N 2 0 274.408 2.443 20 10 CECDRP CC[N@@H+]1CC[C@@H](CNCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858100039 645060550 /nfs/dbraw/zinc/06/05/50/645060550.db2.gz HLTDAFKAFYSOHR-LBPRGKRZSA-N 2 0 297.393 2.462 20 10 CECDRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(O)cc1C ZINC000768445338 646123728 /nfs/dbraw/zinc/12/37/28/646123728.db2.gz GGFJYQQQNCSRSX-UHFFFAOYSA-N 2 0 292.423 2.483 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2c1c(F)ccc2O ZINC000863541037 646750942 /nfs/dbraw/zinc/75/09/42/646750942.db2.gz IUAGGNIYEVVUHR-CMPLNLGQSA-N 2 0 294.370 2.177 20 10 CECDRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Cl)ccc1O ZINC000863547039 646753900 /nfs/dbraw/zinc/75/39/00/646753900.db2.gz OFJSDZSVHABRBS-CYBMUJFWSA-N 2 0 286.803 2.452 20 10 CECDRP COc1cccc(O)c1CN1CCCCC[C@H]([NH3+])C1 ZINC000873216015 649593097 /nfs/dbraw/zinc/59/30/97/649593097.db2.gz NKPIEAYIXAYSMO-LBPRGKRZSA-N 2 0 264.369 2.104 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873222504 649597083 /nfs/dbraw/zinc/59/70/83/649597083.db2.gz WWWBENKRXWOHLY-LBPRGKRZSA-N 2 0 278.396 2.269 20 10 CECDRP C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC[NH2+]CC1 ZINC000873272592 649620250 /nfs/dbraw/zinc/62/02/50/649620250.db2.gz VBMJQBUSPJRNRN-FZMZJTMJSA-N 2 0 260.381 2.357 20 10 CECDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000216020717 652964913 /nfs/dbraw/zinc/96/49/13/652964913.db2.gz MLSJHRBHVAZBOQ-VHSXEESVSA-N 2 0 254.761 2.215 20 10 CECDRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC001118121958 810057109 /nfs/dbraw/zinc/05/71/09/810057109.db2.gz LVYOTVDDKSQZRT-CYBMUJFWSA-N 2 0 295.402 2.052 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC001118241674 810131868 /nfs/dbraw/zinc/13/18/68/810131868.db2.gz KBEZQXQIVTVVFD-WMLDXEAASA-N 2 0 273.424 2.456 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119610779 810520287 /nfs/dbraw/zinc/52/02/87/810520287.db2.gz GQSOZWLHIZVFBN-ZBFHGGJFSA-N 2 0 273.424 2.232 20 10 CECDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000397304689 813611678 /nfs/dbraw/zinc/61/16/78/813611678.db2.gz GHDXMDMMJZUQEV-NQBHXWOUSA-N 2 0 266.360 2.337 20 10 CECDRP COc1cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc(C[NH+](C)C)c1O ZINC001139259298 815996662 /nfs/dbraw/zinc/99/66/62/815996662.db2.gz PUNAPPKYPSFZQG-HIFRSBDPSA-N 2 0 290.407 2.447 20 10 CECDRP COc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc(C[NH+](C)C)c1O ZINC001139259297 815997462 /nfs/dbraw/zinc/99/74/62/815997462.db2.gz PUNAPPKYPSFZQG-DZGCQCFKSA-N 2 0 290.407 2.447 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)c1 ZINC001206317299 816679988 /nfs/dbraw/zinc/67/99/88/816679988.db2.gz FKAGJFLIJKLORW-QGZVFWFLSA-N 2 0 291.439 2.409 20 10 CECDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1O ZINC000183544380 395259398 /nfs/dbraw/zinc/25/93/98/395259398.db2.gz DMNDDVIVQONJHR-CQSZACIVSA-N 2 0 291.439 2.069 20 10 CECDRP COc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1O ZINC000020189128 171053909 /nfs/dbraw/zinc/05/39/09/171053909.db2.gz XFXSGIDGSGCWPL-UHFFFAOYSA-N 2 0 278.396 2.363 20 10 CECDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000246005293 334227416 /nfs/dbraw/zinc/22/74/16/334227416.db2.gz SGRJFCSVXHKMJN-SWLSCSKDSA-N 2 0 278.371 2.447 20 10 CECDRP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1C ZINC000049554268 524074079 /nfs/dbraw/zinc/07/40/79/524074079.db2.gz OYZZFWQJDDIPJW-ZDUSSCGKSA-N 2 0 250.386 2.433 20 10 CECDRP C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[NH+]1CCCC1 ZINC000058062696 524488504 /nfs/dbraw/zinc/48/85/04/524488504.db2.gz QYYDUUQCHVLCSP-CQSZACIVSA-N 2 0 274.408 2.443 20 10 CECDRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1O ZINC000282205261 525449305 /nfs/dbraw/zinc/44/93/05/525449305.db2.gz HBRHQMVVYFCYBP-CQSZACIVSA-N 2 0 291.439 2.069 20 10 CECDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000742207088 575010447 /nfs/dbraw/zinc/01/04/47/575010447.db2.gz OXKYVENEXZNXQK-XJKSGUPXSA-N 2 0 274.408 2.441 20 10 CECDRP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902467035 634685117 /nfs/dbraw/zinc/68/51/17/634685117.db2.gz KNXOWKRSVVRPNC-MWKLQFHZSA-N 2 0 250.317 2.075 20 10 CECDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000925783117 628814751 /nfs/dbraw/zinc/81/47/51/628814751.db2.gz COINHUCOHCVZSB-MXWKQRLJSA-N 2 0 252.333 2.037 20 10 CECDRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2c1c(F)ccc2O ZINC000902484174 634700967 /nfs/dbraw/zinc/70/09/67/634700967.db2.gz FEPMMTPYZONUNW-GMOBBJLQSA-N 2 0 264.344 2.407 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000841034379 631841837 /nfs/dbraw/zinc/84/18/37/631841837.db2.gz ABQBYPLWWIRYDD-CWDCEQMOSA-N 2 0 273.424 2.355 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000816649406 633456951 /nfs/dbraw/zinc/45/69/51/633456951.db2.gz YRSYQVJULKDECC-CABCVRRESA-N 2 0 273.424 2.279 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000817899912 633760345 /nfs/dbraw/zinc/76/03/45/633760345.db2.gz IOTUCGMVHJNTAF-UHFFFAOYSA-N 2 0 265.376 2.251 20 10 CECDRP C[NH2+]CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817939658 633789132 /nfs/dbraw/zinc/78/91/32/633789132.db2.gz HTAMBKMENKUJCX-ONGXEEELSA-N 2 0 252.333 2.279 20 10 CECDRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946161 633793770 /nfs/dbraw/zinc/79/37/70/633793770.db2.gz SRKYJKAKMOZYEQ-KGLIPLIRSA-N 2 0 261.413 2.403 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000817954079 633798385 /nfs/dbraw/zinc/79/83/85/633798385.db2.gz BIMQVMLQPNUIPT-NEPJUHHUSA-N 2 0 264.369 2.051 20 10 CECDRP C[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC[NH2+]C1 ZINC000817966445 633808151 /nfs/dbraw/zinc/80/81/51/633808151.db2.gz NZWKBZQDYSCCAP-XJKSGUPXSA-N 2 0 260.381 2.359 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000817966868 633809506 /nfs/dbraw/zinc/80/95/06/633809506.db2.gz XFKMNWZYEBMCJH-LRDDRELGSA-N 2 0 278.396 2.441 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000817966870 633810252 /nfs/dbraw/zinc/81/02/52/633810252.db2.gz XFKMNWZYEBMCJH-WBMJQRKESA-N 2 0 278.396 2.441 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000817976411 633820704 /nfs/dbraw/zinc/82/07/04/633820704.db2.gz LKGVQVYXFNZXPQ-NHYWBVRUSA-N 2 0 276.380 2.194 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1OC ZINC000841078932 635401073 /nfs/dbraw/zinc/40/10/73/635401073.db2.gz DNPDYPXXXHGZDK-ZDUSSCGKSA-N 2 0 280.412 2.449 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904356332 635587884 /nfs/dbraw/zinc/58/78/84/635587884.db2.gz VZXUYUPFAIISEI-DOMZBBRYSA-N 2 0 260.381 2.099 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1O ZINC000226010177 639518482 /nfs/dbraw/zinc/51/84/82/639518482.db2.gz SUISXPROUVYUGS-GXTWGEPZSA-N 2 0 278.396 2.350 20 10 CECDRP COc1ccc(N2CCC([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000841026527 639620600 /nfs/dbraw/zinc/62/06/00/639620600.db2.gz GVJBYEDOOTYYEC-UHFFFAOYSA-N 2 0 289.423 2.006 20 10 CECDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841031325 639622711 /nfs/dbraw/zinc/62/27/11/639622711.db2.gz ROTYXBNHUPSCTB-ZWNOBZJWSA-N 2 0 252.333 2.138 20 10 CECDRP C[NH2+]CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841043158 639629436 /nfs/dbraw/zinc/62/94/36/639629436.db2.gz SBMSJSDGBSLOER-UHFFFAOYSA-N 2 0 289.345 2.471 20 10 CECDRP CN(C)c1ccc(/C=C\CNCC2([NH3+])CCC2)cc1 ZINC000841049481 639632016 /nfs/dbraw/zinc/63/20/16/639632016.db2.gz SCLOCNBAHZACOI-HYXAFXHYSA-N 2 0 259.397 2.237 20 10 CECDRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841050169 639633191 /nfs/dbraw/zinc/63/31/91/639633191.db2.gz YRJGZQPZFCINBJ-CQSZACIVSA-N 2 0 261.413 2.361 20 10 CECDRP CCOCc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC ZINC000841057364 639635564 /nfs/dbraw/zinc/63/55/64/639635564.db2.gz JMMPLPVACFXTOO-INIZCTEOSA-N 2 0 292.423 2.463 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1O ZINC000841058656 639636627 /nfs/dbraw/zinc/63/66/27/639636627.db2.gz UXHUFAKONRKDOE-CYBMUJFWSA-N 2 0 264.369 2.023 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(O)c1 ZINC000841073665 639643818 /nfs/dbraw/zinc/64/38/18/639643818.db2.gz VUQWATIXZKAQAE-OAHLLOKOSA-N 2 0 278.396 2.269 20 10 CECDRP CCOc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000841073792 639644487 /nfs/dbraw/zinc/64/44/87/639644487.db2.gz YNDSEMREAACRRW-CQSZACIVSA-N 2 0 278.396 2.413 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000841081322 639648161 /nfs/dbraw/zinc/64/81/61/639648161.db2.gz UPEYLFQBUFCJJE-LLVKDONJSA-N 2 0 252.358 2.008 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1O ZINC000841079798 639648448 /nfs/dbraw/zinc/64/84/48/639648448.db2.gz OLQTVMNAFSPRNV-CQSZACIVSA-N 2 0 276.380 2.023 20 10 CECDRP CCOCc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000841085184 639650181 /nfs/dbraw/zinc/65/01/81/639650181.db2.gz WGHOAKCZUOCOKA-BBRMVZONSA-N 2 0 292.423 2.449 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC000841101046 639656191 /nfs/dbraw/zinc/65/61/91/639656191.db2.gz NHOSMKBNFDUDST-GXTWGEPZSA-N 2 0 278.396 2.208 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000841100812 639662051 /nfs/dbraw/zinc/66/20/51/639662051.db2.gz KPQKJDHVXKXCBT-OCCSQVGLSA-N 2 0 278.396 2.208 20 10 CECDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000232666027 639958200 /nfs/dbraw/zinc/95/82/00/639958200.db2.gz YVQXQLQVQUIUNX-GFCCVEGCSA-N 2 0 266.360 2.351 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(O)c1 ZINC000843123452 640290944 /nfs/dbraw/zinc/29/09/44/640290944.db2.gz JOXDELFACMPMOH-AWEZNQCLSA-N 2 0 278.396 2.494 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125661 640291716 /nfs/dbraw/zinc/29/17/16/640291716.db2.gz DKCKMAGILXTXJS-UONOGXRCSA-N 2 0 260.381 2.214 20 10 CECDRP Cc1cc(O)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000843127510 640294116 /nfs/dbraw/zinc/29/41/16/640294116.db2.gz RYDLJOBLKGZZML-GASCZTMLSA-N 2 0 274.408 2.440 20 10 CECDRP CN(C)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1F ZINC000844901601 640860274 /nfs/dbraw/zinc/86/02/74/640860274.db2.gz HVRARFCIQICLBL-UHFFFAOYSA-N 2 0 265.376 2.110 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846142291 641198605 /nfs/dbraw/zinc/19/86/05/641198605.db2.gz ZVKIHDFJTONYLT-STQMWFEESA-N 2 0 278.396 2.393 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148650 641637208 /nfs/dbraw/zinc/63/72/08/641637208.db2.gz QYNAFVNGDSFMBN-ZDUSSCGKSA-N 2 0 264.369 2.104 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCSC3)cc2)CC1 ZINC000771840942 642229365 /nfs/dbraw/zinc/22/93/65/642229365.db2.gz IGRWWJXINZNFME-OAHLLOKOSA-N 2 0 291.464 2.034 20 10 CECDRP Cc1cccc(O)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000877545964 650780067 /nfs/dbraw/zinc/78/00/67/650780067.db2.gz NDHJRPZMJWXDPI-MRXNPFEDSA-N 2 0 260.381 2.228 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923493312 643736902 /nfs/dbraw/zinc/73/69/02/643736902.db2.gz RYMBSMZIDFZZHG-HOCLYGCPSA-N 2 0 275.440 2.478 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000771815457 646554774 /nfs/dbraw/zinc/55/47/74/646554774.db2.gz CQBIJQTUHWSMFV-UHFFFAOYSA-N 2 0 273.424 2.471 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2c1c(F)ccc2O ZINC000873250445 649609475 /nfs/dbraw/zinc/60/94/75/649609475.db2.gz HRGDXMLYXKFHRT-MWGHHZFTSA-N 2 0 264.344 2.407 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2)CC1 ZINC000883283454 652423114 /nfs/dbraw/zinc/42/31/14/652423114.db2.gz GFWVDYLSTSPFIH-UHFFFAOYSA-N 2 0 284.407 2.056 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(F)CC3)cc2)CC1 ZINC000883283834 652423200 /nfs/dbraw/zinc/42/32/00/652423200.db2.gz VDGAVAGTUIEPBX-UHFFFAOYSA-N 2 0 277.387 2.030 20 10 CECDRP Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC001168357937 806690124 /nfs/dbraw/zinc/69/01/24/806690124.db2.gz MLDKZOOVNMARDR-UHFFFAOYSA-N 2 0 276.380 2.062 20 10 CECDRP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893322442 803800736 /nfs/dbraw/zinc/80/07/36/803800736.db2.gz UEQASTQDXWQAHF-UHFFFAOYSA-N 2 0 296.411 2.231 20 10 CECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1O ZINC000923503701 810105619 /nfs/dbraw/zinc/10/56/19/810105619.db2.gz LDNFUURRVMDTAZ-ZYHUDNBSSA-N 2 0 294.370 2.151 20 10 CECDRP CCc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000691524099 812001021 /nfs/dbraw/zinc/00/10/21/812001021.db2.gz RFKJXXXJADWKAJ-ZDUSSCGKSA-N 2 0 262.397 2.386 20 10 CECDRP CN1CCCc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc21 ZINC001138356343 815775160 /nfs/dbraw/zinc/77/51/60/815775160.db2.gz LMEBSFAZSIVBIB-CALCHBBNSA-N 2 0 285.435 2.062 20 10 CECDRP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140624339 816308235 /nfs/dbraw/zinc/30/82/35/816308235.db2.gz RJLPUZRKRLMOKZ-GJZGRUSLSA-N 2 0 260.381 2.084 20 10 CECDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141162355 816491776 /nfs/dbraw/zinc/49/17/76/816491776.db2.gz QTSBPZMSMLRDCA-UHFFFAOYSA-N 2 0 290.407 2.406 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)c1 ZINC001206317297 816678425 /nfs/dbraw/zinc/67/84/25/816678425.db2.gz FKAGJFLIJKLORW-KRWDZBQOSA-N 2 0 291.439 2.409 20 10 CECDRP COc1ccc(CN2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206335553 816763796 /nfs/dbraw/zinc/76/37/96/816763796.db2.gz GDWUMUYOTCBJDR-HNNXBMFYSA-N 2 0 282.359 2.054 20 10 CECDRP CC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180225215 368373477 /nfs/dbraw/zinc/37/34/77/368373477.db2.gz OAZOTJRRSGBDTF-LBPRGKRZSA-N 2 0 266.360 2.305 20 10 CECDRP Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000124712238 394840087 /nfs/dbraw/zinc/84/00/87/394840087.db2.gz GAZMQSQMXSPUKB-LSDHHAIUSA-N 2 0 260.381 2.417 20 10 CECDRP [NH3+][C@H]1Cc2ccccc2N(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662282173 415748366 /nfs/dbraw/zinc/74/83/66/415748366.db2.gz SZFLGDLRTDXFGG-KRWDZBQOSA-N 2 0 293.414 2.222 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277442597 525939808 /nfs/dbraw/zinc/93/98/08/525939808.db2.gz KECHOUQDZGDQPD-AWEZNQCLSA-N 2 0 278.396 2.317 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000311466474 627666948 /nfs/dbraw/zinc/66/69/48/627666948.db2.gz NHRWDPKUYXVPHM-HOCLYGCPSA-N 2 0 260.381 2.261 20 10 CECDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000925783118 628814612 /nfs/dbraw/zinc/81/46/12/628814612.db2.gz COINHUCOHCVZSB-VWYCJHECSA-N 2 0 252.333 2.037 20 10 CECDRP C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C[NH+](C)C ZINC000310777873 631185224 /nfs/dbraw/zinc/18/52/24/631185224.db2.gz DZGUYMCKWAZKBY-GHMZBOCLSA-N 2 0 254.349 2.380 20 10 CECDRP C[C@@H]1C[C@H](NCc2c(O)cccc2Cl)CC[NH2+]1 ZINC000841061605 632363765 /nfs/dbraw/zinc/36/37/65/632363765.db2.gz LNLHBYBOGBKJGO-NXEZZACHSA-N 2 0 254.761 2.276 20 10 CECDRP CN1CCCc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc21 ZINC000817900921 633761661 /nfs/dbraw/zinc/76/16/61/633761661.db2.gz RCVSJRDOLIRIGF-SJPCQFCGSA-N 2 0 285.435 2.442 20 10 CECDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956852 633800091 /nfs/dbraw/zinc/80/00/91/633800091.db2.gz FEAIAAWSZAODIW-LBPRGKRZSA-N 2 0 284.407 2.324 20 10 CECDRP Cc1cc(Br)cc([C@H](C)[NH2+]CC2C[NH2+]C2)c1O ZINC000817964756 633805880 /nfs/dbraw/zinc/80/58/80/633805880.db2.gz HAIQURYTSZJDCR-VIFPVBQESA-N 2 0 299.212 2.333 20 10 CECDRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(cc1O)CCCC2 ZINC000817977137 633819456 /nfs/dbraw/zinc/81/94/56/633819456.db2.gz CFWCUDXGSHRKQU-ZQWVLENNSA-N 2 0 272.392 2.139 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818431223 633921160 /nfs/dbraw/zinc/92/11/60/633921160.db2.gz HBBUOELCRMBDBT-ZDUSSCGKSA-N 2 0 290.407 2.365 20 10 CECDRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000904355638 635587801 /nfs/dbraw/zinc/58/78/01/635587801.db2.gz PXCUKVVLEFAQAP-LSDHHAIUSA-N 2 0 260.381 2.371 20 10 CECDRP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C[NH3+] ZINC000904410451 635616899 /nfs/dbraw/zinc/61/68/99/635616899.db2.gz DPPPMWRYUCEPPE-QWRGUYRKSA-N 2 0 268.788 2.462 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC000904410129 635616941 /nfs/dbraw/zinc/61/69/41/635616941.db2.gz BETZLCUHUNJKAY-CHWSQXEVSA-N 2 0 278.396 2.208 20 10 CECDRP C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1C[NH3+] ZINC000904410441 635617134 /nfs/dbraw/zinc/61/71/34/635617134.db2.gz DLRKRPJVPQUTQV-MNOVXSKESA-N 2 0 268.788 2.462 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000827507685 636339960 /nfs/dbraw/zinc/33/99/60/636339960.db2.gz YVXCVMHBMJQALA-IRXDYDNUSA-N 2 0 285.435 2.280 20 10 CECDRP CCC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000835074743 638050380 /nfs/dbraw/zinc/05/03/80/638050380.db2.gz MJBAKIWAGRUCCD-UHFFFAOYSA-N 2 0 273.424 2.280 20 10 CECDRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(O)c1 ZINC000876929636 650490445 /nfs/dbraw/zinc/49/04/45/650490445.db2.gz LFZFQCDPMUOCNS-ZDUSSCGKSA-N 2 0 260.381 2.275 20 10 CECDRP COc1ccc(N2CCC([NH2+]C[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000841029102 639621234 /nfs/dbraw/zinc/62/12/34/639621234.db2.gz GHTQUGXKZIKIIT-KRWDZBQOSA-N 2 0 291.439 2.237 20 10 CECDRP COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1O ZINC000841030126 639622868 /nfs/dbraw/zinc/62/28/68/639622868.db2.gz KJXIMGXNJCDEJD-YPMHNXCESA-N 2 0 264.369 2.008 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000841031472 639624276 /nfs/dbraw/zinc/62/42/76/639624276.db2.gz SITIYDIIPDASJD-SWLSCSKDSA-N 2 0 278.396 2.398 20 10 CECDRP C[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCC[NH2+]C1 ZINC000841056942 639634260 /nfs/dbraw/zinc/63/42/60/639634260.db2.gz KJEYCUALPTZQDY-AWEZNQCLSA-N 2 0 252.333 2.011 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058876 639636446 /nfs/dbraw/zinc/63/64/46/639636446.db2.gz WSWCAFCNOICFFD-LBPRGKRZSA-N 2 0 254.761 2.277 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(O)c1 ZINC000841101050 639667032 /nfs/dbraw/zinc/66/70/32/639667032.db2.gz NHOSMKBNFDUDST-OCCSQVGLSA-N 2 0 278.396 2.208 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000843047841 640252028 /nfs/dbraw/zinc/25/20/28/640252028.db2.gz YKQPPXRWWXIYGR-WMHVBEDNSA-N 2 0 273.424 2.437 20 10 CECDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000843058698 640261904 /nfs/dbraw/zinc/26/19/04/640261904.db2.gz WHAMBXSFODACND-ATQQARJTSA-N 2 0 273.424 2.435 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000843114956 640285353 /nfs/dbraw/zinc/28/53/53/640285353.db2.gz LRKVVJNXSOHJTF-VGOKWCNXSA-N 2 0 273.424 2.437 20 10 CECDRP Oc1ccc(F)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843126771 640293111 /nfs/dbraw/zinc/29/31/11/640293111.db2.gz MZJBFRNTKLUUSX-ZDUSSCGKSA-N 2 0 278.371 2.353 20 10 CECDRP [NH3+]Cc1ccc2c(c1)CCCN2CC[C@H]1CCC[NH2+]C1 ZINC000843350045 640399488 /nfs/dbraw/zinc/39/94/88/640399488.db2.gz IOOQMJWHADEPMT-CQSZACIVSA-N 2 0 273.424 2.288 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CCC2(C[NH3+])CC2)c1O ZINC000844903869 640861347 /nfs/dbraw/zinc/86/13/47/640861347.db2.gz QKVSDZVGXSPEDR-UHFFFAOYSA-N 2 0 284.787 2.273 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000844902926 640861457 /nfs/dbraw/zinc/86/14/57/640861457.db2.gz XTVVHSWATQJQNQ-HOCLYGCPSA-N 2 0 260.381 2.261 20 10 CECDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000848563493 642055852 /nfs/dbraw/zinc/05/58/52/642055852.db2.gz SWZWRTBZTKGEEX-OTVXOJSOSA-N 2 0 260.381 2.051 20 10 CECDRP CCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000923424899 643704380 /nfs/dbraw/zinc/70/43/80/643704380.db2.gz IHJMGQWIZNUBFQ-OAHLLOKOSA-N 2 0 261.413 2.245 20 10 CECDRP CN(C)c1ccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000843059154 644791778 /nfs/dbraw/zinc/79/17/78/644791778.db2.gz DXAXAOCFMKFDEN-INIZCTEOSA-N 2 0 261.413 2.184 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858137163 645071985 /nfs/dbraw/zinc/07/19/85/645071985.db2.gz HXMJMCUWKAFDPJ-ZDUSSCGKSA-N 2 0 278.396 2.363 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3CC=CC3)cc2)CC1 ZINC000858220686 645091763 /nfs/dbraw/zinc/09/17/63/645091763.db2.gz JSAKQXNXFAWMFS-UHFFFAOYSA-N 2 0 285.435 2.494 20 10 CECDRP C/C=C\C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000858291406 645108524 /nfs/dbraw/zinc/10/85/24/645108524.db2.gz XYARDNBAPCXFPP-ARJAWSKDSA-N 2 0 259.397 2.104 20 10 CECDRP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCCC[NH3+])c1O ZINC000863544987 646752878 /nfs/dbraw/zinc/75/28/78/646752878.db2.gz GIMOHTHKFCGRLN-LLVKDONJSA-N 2 0 286.803 2.370 20 10 CECDRP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775652042 646975875 /nfs/dbraw/zinc/97/58/75/646975875.db2.gz FGLZGGVUJBWZAC-UHFFFAOYSA-N 2 0 273.424 2.423 20 10 CECDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000873239200 649605345 /nfs/dbraw/zinc/60/53/45/649605345.db2.gz PKLGUJZPILAVNY-UBHSHLNASA-N 2 0 260.381 2.487 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2c1c(F)ccc2O ZINC000873250447 649609195 /nfs/dbraw/zinc/60/91/95/649609195.db2.gz HRGDXMLYXKFHRT-SVDPJWKOSA-N 2 0 264.344 2.407 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000723698483 802926064 /nfs/dbraw/zinc/92/60/64/802926064.db2.gz HHQAPVZGYUSNLS-JTQLQIEISA-N 2 0 284.787 2.225 20 10 CECDRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000392226526 813299902 /nfs/dbraw/zinc/29/99/02/813299902.db2.gz OJJWSTONKZKMLG-UHFFFAOYSA-N 2 0 266.772 2.397 20 10 CECDRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000397304691 813611927 /nfs/dbraw/zinc/61/19/27/813611927.db2.gz GHDXMDMMJZUQEV-NTZNESFSSA-N 2 0 266.360 2.337 20 10 CECDRP Nc1ccc(C[NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246168515 813718066 /nfs/dbraw/zinc/71/80/66/813718066.db2.gz FHXUPFPDCSIBLI-JKSUJKDBSA-N 2 0 259.397 2.281 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000120856177 816359866 /nfs/dbraw/zinc/35/98/66/816359866.db2.gz SLOOJOPINQXNKY-UHFFFAOYSA-N 2 0 283.375 2.418 20 10 CECDRP CCN(CCC[NH+](C)C)Cc1ccc2c(c1)OCCN2C ZINC001141144245 816485364 /nfs/dbraw/zinc/48/53/64/816485364.db2.gz FLQCDGJPARIFKX-UHFFFAOYSA-N 2 0 291.439 2.289 20 10 CECDRP C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296066665 378408691 /nfs/dbraw/zinc/40/86/91/378408691.db2.gz RYLJQQRKLNVUEM-WCQYABFASA-N 2 0 257.337 2.254 20 10 CECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2O)C1 ZINC000093770481 394668858 /nfs/dbraw/zinc/66/88/58/394668858.db2.gz WLWWXOUENSWJEQ-ZDUSSCGKSA-N 2 0 278.396 2.174 20 10 CECDRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1O ZINC000020128455 171015601 /nfs/dbraw/zinc/01/56/01/171015601.db2.gz QHZMBVNNSNFSCL-MRXNPFEDSA-N 2 0 291.439 2.070 20 10 CECDRP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2c1c(F)ccc2O ZINC000902484175 634700579 /nfs/dbraw/zinc/70/05/79/634700579.db2.gz FEPMMTPYZONUNW-QFOLPQNPSA-N 2 0 264.344 2.407 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000841061993 632363833 /nfs/dbraw/zinc/36/38/33/632363833.db2.gz PPIUKNVBCSJFCQ-YPMHNXCESA-N 2 0 264.369 2.021 20 10 CECDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817900635 633761693 /nfs/dbraw/zinc/76/16/93/633761693.db2.gz PCNBIEYBQFFDSV-SWLSCSKDSA-N 2 0 279.403 2.369 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817901702 633762874 /nfs/dbraw/zinc/76/28/74/633762874.db2.gz XBUSXGJDFGHRBE-QWHCGFSZSA-N 2 0 261.413 2.284 20 10 CECDRP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000817977121 633820458 /nfs/dbraw/zinc/82/04/58/633820458.db2.gz BRRXUFYVPBUSTP-KMLBCRHOSA-N 2 0 266.772 2.222 20 10 CECDRP C[C@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1O)CC[NH2+]CC2 ZINC000818431373 633920667 /nfs/dbraw/zinc/92/06/67/633920667.db2.gz KALVTDDDZMJWTD-LBPRGKRZSA-N 2 0 278.371 2.495 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960166 635370005 /nfs/dbraw/zinc/37/00/05/635370005.db2.gz YCWKMMZEKKGISN-MRXNPFEDSA-N 2 0 260.381 2.358 20 10 CECDRP CCOCc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1OC ZINC000903964660 635398492 /nfs/dbraw/zinc/39/84/92/635398492.db2.gz NPIOASSKFPPXNV-CJNGLKHVSA-N 2 0 292.423 2.177 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420545 635631013 /nfs/dbraw/zinc/63/10/13/635631013.db2.gz SEMQXNXYUKESRM-OPCNFVSTSA-N 2 0 285.435 2.307 20 10 CECDRP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(O)c1 ZINC000876597166 650352477 /nfs/dbraw/zinc/35/24/77/650352477.db2.gz LYIHNLIJBVYPBH-CQSZACIVSA-N 2 0 262.397 2.474 20 10 CECDRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876940375 650497246 /nfs/dbraw/zinc/49/72/46/650497246.db2.gz SFBCEJXPTXVOBU-GJZGRUSLSA-N 2 0 260.381 2.417 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000841028489 639621104 /nfs/dbraw/zinc/62/11/04/639621104.db2.gz HKRHFUAXCPSOHI-ONEGZZNKSA-N 2 0 259.397 2.107 20 10 CECDRP CCN(CC)c1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1F ZINC000841049475 639631848 /nfs/dbraw/zinc/63/18/48/639631848.db2.gz RYPGRGSEPZJLIV-GFCCVEGCSA-N 2 0 267.392 2.356 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CC[NH2+]1 ZINC000841062825 639638232 /nfs/dbraw/zinc/63/82/32/639638232.db2.gz YBAQWEMDUFOMEY-SKDRFNHKSA-N 2 0 299.212 2.385 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000841064641 639639703 /nfs/dbraw/zinc/63/97/03/639639703.db2.gz RQXMBGDGNGCNPK-CJNGLKHVSA-N 2 0 261.413 2.149 20 10 CECDRP COc1cccc(O)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841071811 639643495 /nfs/dbraw/zinc/64/34/95/639643495.db2.gz BWXYCQQSAUUWGZ-LBPRGKRZSA-N 2 0 264.369 2.023 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(O)c1 ZINC000841078383 639646777 /nfs/dbraw/zinc/64/67/77/639646777.db2.gz CEPNAIQQRWCPCW-NSHDSACASA-N 2 0 252.358 2.008 20 10 CECDRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1O ZINC000063198139 639841139 /nfs/dbraw/zinc/84/11/39/639841139.db2.gz UURWOJMYOKTTDL-OAHLLOKOSA-N 2 0 290.407 2.365 20 10 CECDRP Oc1ccc(F)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043797 640249789 /nfs/dbraw/zinc/24/97/89/640249789.db2.gz HSLZHTMOWGVUMI-UHFFFAOYSA-N 2 0 264.344 2.248 20 10 CECDRP CC(C)(C)[NH2+]CCN1CCCc2cc(C[NH3+])ccc21 ZINC000843058624 640261390 /nfs/dbraw/zinc/26/13/90/640261390.db2.gz XJZKHZLKTISBFA-UHFFFAOYSA-N 2 0 261.413 2.286 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120459 640289156 /nfs/dbraw/zinc/28/91/56/640289156.db2.gz LHMJBZWZAXFEPZ-QGZVFWFLSA-N 2 0 273.424 2.246 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843125913 640291579 /nfs/dbraw/zinc/29/15/79/640291579.db2.gz CLJWJPXDSSWJEJ-DOTOQJQBSA-N 2 0 273.424 2.245 20 10 CECDRP C[N@H+](CCOCC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000844221080 640635938 /nfs/dbraw/zinc/63/59/38/640635938.db2.gz SPCMZNFIAINODO-UHFFFAOYSA-N 2 0 291.439 2.084 20 10 CECDRP COc1cccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1O ZINC000846142349 641198970 /nfs/dbraw/zinc/19/89/70/641198970.db2.gz RROJXYKURJRRJR-RYUDHWBXSA-N 2 0 266.385 2.392 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C2)cc1 ZINC000854218284 644014285 /nfs/dbraw/zinc/01/42/85/644014285.db2.gz VHLSCFIRTLQRTR-GJZGRUSLSA-N 2 0 291.439 2.381 20 10 CECDRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1O ZINC000877755889 650899246 /nfs/dbraw/zinc/89/92/46/650899246.db2.gz RBGDCPCICQDHPP-CYBMUJFWSA-N 2 0 292.423 2.278 20 10 CECDRP CN(C)c1cc(F)c(C[NH2+]CCCC[NH+](C)C)cc1F ZINC000858115433 645067110 /nfs/dbraw/zinc/06/71/10/645067110.db2.gz FRYHSQZHNJCJBC-UHFFFAOYSA-N 2 0 285.382 2.462 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000770352403 646381533 /nfs/dbraw/zinc/38/15/33/646381533.db2.gz NLDIEIVAAZUKMW-UKRRQHHQSA-N 2 0 290.407 2.317 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2c1c(F)ccc2O ZINC000863547160 646753782 /nfs/dbraw/zinc/75/37/82/646753782.db2.gz PRLHORZQYNOWBB-PWSUYJOCSA-N 2 0 282.359 2.035 20 10 CECDRP C[NH2+]CCOCC[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000863647614 646776445 /nfs/dbraw/zinc/77/64/45/646776445.db2.gz SEJJXWWCHINLDM-UHFFFAOYSA-N 2 0 286.803 2.022 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)F)cc2)CC1 ZINC000865653804 647408224 /nfs/dbraw/zinc/40/82/24/647408224.db2.gz ZSUMNCLUKOWZIN-UHFFFAOYSA-N 2 0 279.403 2.276 20 10 CECDRP C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000873216320 649593057 /nfs/dbraw/zinc/59/30/57/649593057.db2.gz MSHUAYWOBKMRLP-RCELQXLSSA-N 2 0 273.424 2.292 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873226990 649598621 /nfs/dbraw/zinc/59/86/21/649598621.db2.gz ARJDALFQCSUXBY-NWDGAFQWSA-N 2 0 288.313 2.270 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873226989 649598669 /nfs/dbraw/zinc/59/86/69/649598669.db2.gz ARJDALFQCSUXBY-NEPJUHHUSA-N 2 0 288.313 2.270 20 10 CECDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC001118122141 814985926 /nfs/dbraw/zinc/98/59/26/814985926.db2.gz PUSYVMWWCQJUSB-RDBSUJKOSA-N 2 0 290.407 2.217 20 10 CECDRP COc1ccc(O)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000700817567 809356293 /nfs/dbraw/zinc/35/62/93/809356293.db2.gz VPOIMQGUVFKYMS-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1C[NH3+] ZINC000708888920 809937483 /nfs/dbraw/zinc/93/74/83/809937483.db2.gz IUUWGGFTWLGVHU-VHSXEESVSA-N 2 0 254.761 2.072 20 10 CECDRP COc1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206335556 816763728 /nfs/dbraw/zinc/76/37/28/816763728.db2.gz GDWUMUYOTCBJDR-OAHLLOKOSA-N 2 0 282.359 2.054 20 10 CECDRP Oc1cccc2c1[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000296211344 280454343 /nfs/dbraw/zinc/45/43/43/280454343.db2.gz ZLAMYCIDIHUBET-AWEZNQCLSA-N 2 0 260.381 2.455 20 10 CECDRP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000092253759 327191128 /nfs/dbraw/zinc/19/11/28/327191128.db2.gz BHCUGGIDTIDXLM-ZDUSSCGKSA-N 2 0 278.396 2.174 20 10 CECDRP COc1ccc(O)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000062077259 524753710 /nfs/dbraw/zinc/75/37/10/524753710.db2.gz FUNWYIXMRDVXGT-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP CC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000044517862 624461525 /nfs/dbraw/zinc/46/15/25/624461525.db2.gz YMXXRULNSDSEER-UHFFFAOYSA-N 2 0 274.408 2.443 20 10 CECDRP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1C ZINC000310793637 627283501 /nfs/dbraw/zinc/28/35/01/627283501.db2.gz VLOGCVBBROOUII-LBPRGKRZSA-N 2 0 250.386 2.291 20 10 CECDRP CCOc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)c(O)c1 ZINC000895298472 630087076 /nfs/dbraw/zinc/08/70/76/630087076.db2.gz XAGMTFGDRDMQNZ-LBPRGKRZSA-N 2 0 266.385 2.221 20 10 CECDRP Cc1cc(C)c([C@H](C)[NH2+]CCOCCC[NH3+])c(O)c1 ZINC000863544955 631569205 /nfs/dbraw/zinc/56/92/05/631569205.db2.gz FYIDXLBLKZDTQT-ZDUSSCGKSA-N 2 0 266.385 2.025 20 10 CECDRP C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163436802 631575074 /nfs/dbraw/zinc/57/50/74/631575074.db2.gz YVVYBSYCBBGLND-HIFRSBDPSA-N 2 0 261.413 2.169 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@H]2CCC[NH2+]CC2)c1O ZINC000841059129 632362423 /nfs/dbraw/zinc/36/24/23/632362423.db2.gz YCLVAFOXBVQZRE-LBPRGKRZSA-N 2 0 284.787 2.286 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000841065647 632418659 /nfs/dbraw/zinc/41/86/59/632418659.db2.gz RPVONUIKCQRLEC-UHFFFAOYSA-N 2 0 261.413 2.293 20 10 CECDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817901938 633762967 /nfs/dbraw/zinc/76/29/67/633762967.db2.gz ZUUOWWDEFXQYFE-QWRGUYRKSA-N 2 0 253.365 2.107 20 10 CECDRP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[NH3+])c1O ZINC000817938009 633787714 /nfs/dbraw/zinc/78/77/14/633787714.db2.gz BFNRXVFEZRTLLE-VIFPVBQESA-N 2 0 287.201 2.463 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000817947114 633793385 /nfs/dbraw/zinc/79/33/85/633793385.db2.gz KOEKPIWTHAUCCX-AVGNSLFASA-N 2 0 278.396 2.440 20 10 CECDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817962011 633805224 /nfs/dbraw/zinc/80/52/24/633805224.db2.gz GKGAEOKDJSLNAJ-IUCAKERBSA-N 2 0 287.201 2.400 20 10 CECDRP COCC1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CC[NH2+]CC1 ZINC000817975683 633818656 /nfs/dbraw/zinc/81/86/56/633818656.db2.gz XTYXRRPRGAXEME-AWEZNQCLSA-N 2 0 292.423 2.367 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000817987594 633827971 /nfs/dbraw/zinc/82/79/71/633827971.db2.gz UNMIOBBGBFSKIH-XDQVBPFNSA-N 2 0 290.407 2.440 20 10 CECDRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000904355631 635587674 /nfs/dbraw/zinc/58/76/74/635587674.db2.gz PXCUKVVLEFAQAP-GJZGRUSLSA-N 2 0 260.381 2.371 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC000904411583 635619409 /nfs/dbraw/zinc/61/94/09/635619409.db2.gz NTAQGLFGESHSMC-ZIAGYGMSSA-N 2 0 262.397 2.426 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412537 635620567 /nfs/dbraw/zinc/62/05/67/635620567.db2.gz VKIBZVZVSDIOPT-STQMWFEESA-N 2 0 278.396 2.208 20 10 CECDRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(O)c1 ZINC000876577219 650341317 /nfs/dbraw/zinc/34/13/17/650341317.db2.gz YGACUJWANPUKQI-UHFFFAOYSA-N 2 0 262.397 2.474 20 10 CECDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000044533025 639321431 /nfs/dbraw/zinc/32/14/31/639321431.db2.gz FUIBIIABFLZOAP-CQSZACIVSA-N 2 0 260.381 2.053 20 10 CECDRP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1C ZINC000841058374 639635637 /nfs/dbraw/zinc/63/56/37/639635637.db2.gz WPQPSOHBUKJJHP-INIZCTEOSA-N 2 0 262.397 2.483 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000841057500 639635804 /nfs/dbraw/zinc/63/58/04/639635804.db2.gz IXSBHOSIJRPBQB-IMMZDGJCSA-N 2 0 273.424 2.498 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1O ZINC000841081584 639649476 /nfs/dbraw/zinc/64/94/76/639649476.db2.gz YGPSPTXTPFWVHO-LBPRGKRZSA-N 2 0 266.385 2.398 20 10 CECDRP CCN(CC)c1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000841100961 639665987 /nfs/dbraw/zinc/66/59/87/639665987.db2.gz QCSLNHKIUDTHJF-KRWDZBQOSA-N 2 0 291.439 2.082 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000843048381 640252375 /nfs/dbraw/zinc/25/23/75/640252375.db2.gz OPGNJNJBRSYKST-JTQLQIEISA-N 2 0 254.761 2.135 20 10 CECDRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843048731 640253834 /nfs/dbraw/zinc/25/38/34/640253834.db2.gz UXGDILBKKWZJIP-INIZCTEOSA-N 2 0 273.424 2.458 20 10 CECDRP C[C@H]1C[C@@H](CN2CCCc3cc(C[NH3+])ccc32)CC[NH2+]1 ZINC000843058194 640261859 /nfs/dbraw/zinc/26/18/59/640261859.db2.gz OFRIANREGZQVIK-ZFWWWQNUSA-N 2 0 273.424 2.286 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843125826 640291637 /nfs/dbraw/zinc/29/16/37/640291637.db2.gz AKNFRZCIDUJQKP-IYBDPMFKSA-N 2 0 287.451 2.492 20 10 CECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1O ZINC000843348737 640398087 /nfs/dbraw/zinc/39/80/87/640398087.db2.gz OUOXARFYWKNDDF-SNVBAGLBSA-N 2 0 294.370 2.293 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000844904142 640861324 /nfs/dbraw/zinc/86/13/24/640861324.db2.gz ZVZWPDRKWRQUDV-ONEGZZNKSA-N 2 0 273.424 2.484 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000844923672 640867400 /nfs/dbraw/zinc/86/74/00/640867400.db2.gz HEGTYJOFPUDERC-LBPRGKRZSA-N 2 0 278.396 2.441 20 10 CECDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(CC)c1O ZINC000848901279 642180837 /nfs/dbraw/zinc/18/08/37/642180837.db2.gz RBWQHMMTFWSWOY-MRXNPFEDSA-N 2 0 294.439 2.401 20 10 CECDRP COCC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921524368 642190342 /nfs/dbraw/zinc/19/03/42/642190342.db2.gz MEPYSXCRLAXDMC-UHFFFAOYSA-N 2 0 292.423 2.070 20 10 CECDRP COc1ccc(N2CC[C@@H]([NH2+]C3CCC([NH3+])CC3)C2)cc1 ZINC000849350730 642341100 /nfs/dbraw/zinc/34/11/00/642341100.db2.gz UHDVYFSHYCMPBL-YMAMQOFZSA-N 2 0 289.423 2.133 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1N(C)C ZINC000923358688 643677127 /nfs/dbraw/zinc/67/71/27/643677127.db2.gz KNZWGMMFQFLJTA-HOTGVXAUSA-N 2 0 273.424 2.245 20 10 CECDRP C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)c2c1c(F)ccc2O ZINC000854226031 644016362 /nfs/dbraw/zinc/01/63/62/644016362.db2.gz CSGCLXNSQWUXAX-DHYSWEFNSA-N 2 0 276.355 2.421 20 10 CECDRP COc1cccc(O)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000839183829 644182086 /nfs/dbraw/zinc/18/20/86/644182086.db2.gz ZQXBQWNIDGBIKD-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP C[NH2+]CC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000843049222 644745845 /nfs/dbraw/zinc/74/58/45/644745845.db2.gz HRDDNDNZCDGIOC-UHFFFAOYSA-N 2 0 275.440 2.492 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2c1c(F)ccc2O ZINC000863541045 646751353 /nfs/dbraw/zinc/75/13/53/646751353.db2.gz IUAGGNIYEVVUHR-PWSUYJOCSA-N 2 0 294.370 2.177 20 10 CECDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(O)ccc4ccncc43)CC[C@@H]21 ZINC000872726680 649469689 /nfs/dbraw/zinc/46/96/89/649469689.db2.gz UIFRBMPCNYGTBR-PBHICJAKSA-N 2 0 297.402 2.466 20 10 CECDRP COc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000872725540 649470150 /nfs/dbraw/zinc/47/01/50/649470150.db2.gz UDNYXLWWAJTPSP-HIFRSBDPSA-N 2 0 290.407 2.235 20 10 CECDRP CCOc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c(O)c1 ZINC000873220286 649595344 /nfs/dbraw/zinc/59/53/44/649595344.db2.gz ILBGGBBSQUDYBM-GFCCVEGCSA-N 2 0 278.396 2.269 20 10 CECDRP CCN1CCC([N@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC000131570254 652437662 /nfs/dbraw/zinc/43/76/62/652437662.db2.gz MZWQZRVBYMAKNT-UHFFFAOYSA-N 2 0 278.396 2.317 20 10 CECDRP Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1O ZINC001168363199 806753072 /nfs/dbraw/zinc/75/30/72/806753072.db2.gz VOWUINWJUVDZFL-UHFFFAOYSA-N 2 0 276.380 2.062 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000709872036 809974027 /nfs/dbraw/zinc/97/40/27/809974027.db2.gz XIPOOHZROVRHCV-KRWDZBQOSA-N 2 0 273.424 2.328 20 10 CECDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140466819 816263281 /nfs/dbraw/zinc/26/32/81/816263281.db2.gz IRXMNMPCAMLOGU-YPMHNXCESA-N 2 0 280.799 2.429 20 10 CECDRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001206293395 816521872 /nfs/dbraw/zinc/52/18/72/816521872.db2.gz HLLMOXGYFYVAAR-HNNXBMFYSA-N 2 0 264.369 2.049 20 10 CECDRP COCCN(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293261022 395226320 /nfs/dbraw/zinc/22/63/20/395226320.db2.gz CAGKZVKSFIWPON-AWEZNQCLSA-N 2 0 280.412 2.238 20 10 CECDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1O ZINC000183496483 395258029 /nfs/dbraw/zinc/25/80/29/395258029.db2.gz LUBBUOAGVUYMCL-OAHLLOKOSA-N 2 0 291.439 2.070 20 10 CECDRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC000293617485 277086733 /nfs/dbraw/zinc/08/67/33/277086733.db2.gz KMHMZXZMJLCGBO-INIZCTEOSA-N 2 0 260.381 2.310 20 10 CECDRP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[NH+]1CCCC1 ZINC000058062690 524743032 /nfs/dbraw/zinc/74/30/32/524743032.db2.gz QYYDUUQCHVLCSP-AWEZNQCLSA-N 2 0 274.408 2.443 20 10 CECDRP COc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1O ZINC000060942120 526019188 /nfs/dbraw/zinc/01/91/88/526019188.db2.gz XJDZKRIYKDCNHI-CYBMUJFWSA-N 2 0 278.396 2.222 20 10 CECDRP c1cc2c(cc1C[NH2+]CCC[NH2+]C1CC1)CCCO2 ZINC000228410785 628183824 /nfs/dbraw/zinc/18/38/24/628183824.db2.gz XKENGNQDMZXXOO-UHFFFAOYSA-N 2 0 260.381 2.243 20 10 CECDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000843130092 631774050 /nfs/dbraw/zinc/77/40/50/631774050.db2.gz WQZBNPNPYYFOEL-RKDXNWHRSA-N 2 0 287.201 2.370 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000841033732 631834786 /nfs/dbraw/zinc/83/47/86/631834786.db2.gz VEPZQUCIUWJKCM-CHWSQXEVSA-N 2 0 278.396 2.269 20 10 CECDRP CN(C)c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000841055943 632359175 /nfs/dbraw/zinc/35/91/75/632359175.db2.gz NJLOIQRYDYDWEW-CYBMUJFWSA-N 2 0 265.376 2.123 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000841065044 632401918 /nfs/dbraw/zinc/40/19/18/632401918.db2.gz LNMNFUBYTPUCCC-UHFFFAOYSA-N 2 0 264.369 2.023 20 10 CECDRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817954684 633798704 /nfs/dbraw/zinc/79/87/04/633798704.db2.gz HAUITVBGSCROBM-ZIAGYGMSSA-N 2 0 261.413 2.403 20 10 CECDRP C[C@H]([NH2+]CCc1ccc(N)cc1)C1CC[NH+](C)CC1 ZINC000817956123 633799356 /nfs/dbraw/zinc/79/93/56/633799356.db2.gz RCORIPIZQDKBGK-ZDUSSCGKSA-N 2 0 261.413 2.131 20 10 CECDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817959510 633800699 /nfs/dbraw/zinc/80/06/99/633800699.db2.gz GTXDJKTUGNJDAL-MELADBBJSA-N 2 0 260.381 2.487 20 10 CECDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(N)cc1 ZINC000817958469 633801364 /nfs/dbraw/zinc/80/13/64/633801364.db2.gz WHMWMAGYRYSTJE-KDOFPFPSSA-N 2 0 283.419 2.359 20 10 CECDRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817968718 633811298 /nfs/dbraw/zinc/81/12/98/633811298.db2.gz WLFIBORXJCDFAC-JTQLQIEISA-N 2 0 250.317 2.102 20 10 CECDRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(O)c1C ZINC000817982239 633824646 /nfs/dbraw/zinc/82/46/46/633824646.db2.gz PSXQDRBTLFCHLM-KBPBESRZSA-N 2 0 278.396 2.038 20 10 CECDRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000818431814 633921032 /nfs/dbraw/zinc/92/10/32/633921032.db2.gz UIHCXJVOJFYPPP-VXGBXAGGSA-N 2 0 254.761 2.405 20 10 CECDRP COc1ccc(N2CCC([NH2+]CCC(C)(C)[NH3+])CC2)cc1 ZINC000903939433 635359806 /nfs/dbraw/zinc/35/98/06/635359806.db2.gz HGEVDAKRBSXQLC-UHFFFAOYSA-N 2 0 291.439 2.381 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903975139 635393636 /nfs/dbraw/zinc/39/36/36/635393636.db2.gz YCZMXVGRAICWNY-CHWSQXEVSA-N 2 0 278.396 2.126 20 10 CECDRP CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000904353228 635585208 /nfs/dbraw/zinc/58/52/08/635585208.db2.gz JJWVZFODBCIOJY-SFHVURJKSA-N 2 0 298.434 2.001 20 10 CECDRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000904355627 635588154 /nfs/dbraw/zinc/58/81/54/635588154.db2.gz PXCUKVVLEFAQAP-CABCVRRESA-N 2 0 260.381 2.371 20 10 CECDRP CN(C)c1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000904432886 635626960 /nfs/dbraw/zinc/62/69/60/635626960.db2.gz IOQYFSKQWKWKRC-KRWDZBQOSA-N 2 0 273.424 2.471 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841031471 639624129 /nfs/dbraw/zinc/62/41/29/639624129.db2.gz SITIYDIIPDASJD-IUODEOHRSA-N 2 0 278.396 2.398 20 10 CECDRP Cc1cc(Br)cc(C[NH2+][C@@H](C)CC[NH3+])c1O ZINC000841052254 639633416 /nfs/dbraw/zinc/63/34/16/639633416.db2.gz SLAFRNVHRFFTBU-VIFPVBQESA-N 2 0 287.201 2.290 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1O ZINC000841051244 639633697 /nfs/dbraw/zinc/63/36/97/639633697.db2.gz XCQGTTVVLPXRJO-GFCCVEGCSA-N 2 0 254.761 2.181 20 10 CECDRP Oc1cccc(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841056929 639634835 /nfs/dbraw/zinc/63/48/35/639634835.db2.gz FZPRZFFOGBJNLY-SNVBAGLBSA-N 2 0 254.761 2.277 20 10 CECDRP CCOCc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000841062078 639638126 /nfs/dbraw/zinc/63/81/26/639638126.db2.gz SKESUYVWEXOPMS-BBRMVZONSA-N 2 0 292.423 2.462 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841064953 639641017 /nfs/dbraw/zinc/64/10/17/639641017.db2.gz XCDQMOGHWFNUKV-JOYOIKCWSA-N 2 0 284.787 2.142 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@H](C)CCC[NH3+])CC2)cc1 ZINC000841079617 639648337 /nfs/dbraw/zinc/64/83/37/639648337.db2.gz KNRFUTCFDIUHNA-CQSZACIVSA-N 2 0 291.439 2.381 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000841084099 639650422 /nfs/dbraw/zinc/65/04/22/639650422.db2.gz GDRVTPDGTSDTMZ-WCQYABFASA-N 2 0 264.369 2.008 20 10 CECDRP Oc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841090453 639653024 /nfs/dbraw/zinc/65/30/24/639653024.db2.gz YCVPTPUGUWRDIO-ZDUSSCGKSA-N 2 0 264.344 2.296 20 10 CECDRP COc1cccc(O)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841090186 639653639 /nfs/dbraw/zinc/65/36/39/639653639.db2.gz WXCIMRDWDRNOSZ-LBPRGKRZSA-N 2 0 276.380 2.165 20 10 CECDRP COc1cc(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)c1O ZINC000229102551 639676739 /nfs/dbraw/zinc/67/67/39/639676739.db2.gz PHXDJRFWEDSKQP-UHFFFAOYSA-N 2 0 284.787 2.225 20 10 CECDRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000063158847 639836326 /nfs/dbraw/zinc/83/63/26/639836326.db2.gz UQKOJDNPEOGMEZ-UHFFFAOYSA-N 2 0 268.788 2.477 20 10 CECDRP COc1cccc(O)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046428 640251284 /nfs/dbraw/zinc/25/12/84/640251284.db2.gz VRGIRGNYAQRHOZ-OAHLLOKOSA-N 2 0 290.407 2.365 20 10 CECDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058674 640260916 /nfs/dbraw/zinc/26/09/16/640260916.db2.gz VSJXVTDCYSQTPM-WCQYABFASA-N 2 0 265.376 2.061 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843125916 640292453 /nfs/dbraw/zinc/29/24/53/640292453.db2.gz CLJWJPXDSSWJEJ-RDJZCZTQSA-N 2 0 273.424 2.245 20 10 CECDRP COc1ccc(O)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000843126328 640293012 /nfs/dbraw/zinc/29/30/12/640293012.db2.gz JJXAACFEGTWNDH-CQSZACIVSA-N 2 0 290.407 2.222 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+]Cc1c(C)cccc1O ZINC000877332572 650677796 /nfs/dbraw/zinc/67/77/96/650677796.db2.gz DHCAJDKUWRQKTI-UHFFFAOYSA-N 2 0 280.412 2.149 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000850393442 642698443 /nfs/dbraw/zinc/69/84/43/642698443.db2.gz SPIKDGNQKVDIIK-BCDXTJNWSA-N 2 0 285.435 2.327 20 10 CECDRP C[NH2+]CC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000923289935 643643262 /nfs/dbraw/zinc/64/32/62/643643262.db2.gz KIQSKBRUTMXWGQ-UHFFFAOYSA-N 2 0 275.440 2.492 20 10 CECDRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1N(C)C ZINC000923429256 643708179 /nfs/dbraw/zinc/70/81/79/643708179.db2.gz RXWLMEPLGCRILC-GDBMZVCRSA-N 2 0 275.440 2.478 20 10 CECDRP CC[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(C)cc1O ZINC000854226176 644016582 /nfs/dbraw/zinc/01/65/82/644016582.db2.gz DRBFJUYWEBEAFU-UGWHAMFMSA-N 2 0 260.381 2.493 20 10 CECDRP COc1cccc(O)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858245735 645097796 /nfs/dbraw/zinc/09/77/96/645097796.db2.gz WQBSPGRZGIIURQ-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP CC[NH+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775637315 646974805 /nfs/dbraw/zinc/97/48/05/646974805.db2.gz PLWJFMGIYINPKM-UHFFFAOYSA-N 2 0 261.413 2.280 20 10 CECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775660555 646977322 /nfs/dbraw/zinc/97/73/22/646977322.db2.gz GERRWVSCOFDNMK-OAHLLOKOSA-N 2 0 273.424 2.280 20 10 CECDRP C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC[NH2+]CC1 ZINC000873270473 649619663 /nfs/dbraw/zinc/61/96/63/649619663.db2.gz VBMJQBUSPJRNRN-BXUZGUMPSA-N 2 0 260.381 2.357 20 10 CECDRP CN(CCC[NH+](C)C)Cc1cc(Cl)ccc1O ZINC000211414274 651603761 /nfs/dbraw/zinc/60/37/61/651603761.db2.gz VRFQITFXXZMAFK-UHFFFAOYSA-N 2 0 256.777 2.429 20 10 CECDRP CCc1cccc(C[NH2+]CC[C@H](C)[NH+](C)C)c1O ZINC000697849249 806709074 /nfs/dbraw/zinc/70/90/74/806709074.db2.gz QCWOBSNYUCQQSQ-LBPRGKRZSA-N 2 0 250.386 2.384 20 10 CECDRP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000699664735 807791348 /nfs/dbraw/zinc/79/13/48/807791348.db2.gz JUGKGWGWIPXFFV-DZGCQCFKSA-N 2 0 261.413 2.230 20 10 CECDRP [NH3+]Cc1ccc2c(n1)N(c1cccc3c1C[NH2+]CC3)CCC2 ZINC001169590207 811578549 /nfs/dbraw/zinc/57/85/49/811578549.db2.gz AEUGHNFVUDWRJV-UHFFFAOYSA-N 2 0 294.402 2.270 20 10 CECDRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CCCN4C)C[C@@H]2C1 ZINC001138359377 815776717 /nfs/dbraw/zinc/77/67/17/815776717.db2.gz SOHLAAAUEURVFH-ROUUACIJSA-N 2 0 299.462 2.453 20 10 CECDRP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC001140059001 816180893 /nfs/dbraw/zinc/18/08/93/816180893.db2.gz SOZJRXQKSVYUAB-UHFFFAOYSA-N 2 0 278.371 2.449 20 10 CECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3O)C[C@H]2C1 ZINC001140624340 816308405 /nfs/dbraw/zinc/30/84/05/816308405.db2.gz RJLPUZRKRLMOKZ-HUUCEWRRSA-N 2 0 260.381 2.084 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037644659 361918370 /nfs/dbraw/zinc/91/83/70/361918370.db2.gz PQEWTYIRLBBURD-CQSZACIVSA-N 2 0 260.381 2.053 20 10 CECDRP Cc1cc(O)c(C[NH2+]CC2=CC[N@H+](C)CC2)cc1C ZINC000271851384 373203346 /nfs/dbraw/zinc/20/33/46/373203346.db2.gz TVABJFPINLNYLU-UHFFFAOYSA-N 2 0 260.381 2.361 20 10 CECDRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC000293617491 377658647 /nfs/dbraw/zinc/65/86/47/377658647.db2.gz KMHMZXZMJLCGBO-MRXNPFEDSA-N 2 0 260.381 2.310 20 10 CECDRP c1cc(C[NH2+]CCC[NH+]2CCCC2)cc2c1OCC2 ZINC000037362807 260094818 /nfs/dbraw/zinc/09/48/18/260094818.db2.gz WEUPFWDAVBDOCD-UHFFFAOYSA-N 2 0 260.381 2.197 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185008571 262037801 /nfs/dbraw/zinc/03/78/01/262037801.db2.gz BQYNPKNTEAQQPM-ZDUSSCGKSA-N 2 0 296.411 2.020 20 10 CECDRP CN1CCc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000250396334 333305070 /nfs/dbraw/zinc/30/50/70/333305070.db2.gz QYXGIRHKZFNVIR-IRXDYDNUSA-N 2 0 285.435 2.395 20 10 CECDRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000796526918 629924172 /nfs/dbraw/zinc/92/41/72/629924172.db2.gz SHDBCHKSKZFBRJ-PBHICJAKSA-N 2 0 273.424 2.327 20 10 CECDRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000841032849 631821431 /nfs/dbraw/zinc/82/14/31/631821431.db2.gz GEPVHLODUSXTPD-ZFWWWQNUSA-N 2 0 262.397 2.481 20 10 CECDRP CCOc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1O ZINC000841057932 632360217 /nfs/dbraw/zinc/36/02/17/632360217.db2.gz SLQBVEOWGAFDSC-MRXNPFEDSA-N 2 0 278.396 2.270 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000841058493 632361416 /nfs/dbraw/zinc/36/14/16/632361416.db2.gz SANLXSAWVBVTAH-CABCVRRESA-N 2 0 261.413 2.421 20 10 CECDRP Oc1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc2ccccc21 ZINC000816522372 633407100 /nfs/dbraw/zinc/40/71/00/633407100.db2.gz WCDHJCHOOZGXMI-GJZGRUSLSA-N 2 0 268.360 2.197 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000816642267 633454822 /nfs/dbraw/zinc/45/48/22/633454822.db2.gz VCSDTKHEKXSVFX-KRWDZBQOSA-N 2 0 290.407 2.319 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])ccc21 ZINC000817901868 633762480 /nfs/dbraw/zinc/76/24/80/633762480.db2.gz YWHFYHJHDXSUFA-HOTGVXAUSA-N 2 0 273.424 2.286 20 10 CECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[NH3+])c1O ZINC000817938008 633788058 /nfs/dbraw/zinc/78/80/58/633788058.db2.gz BFNRXVFEZRTLLE-SECBINFHSA-N 2 0 287.201 2.463 20 10 CECDRP C[NH2+]CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817942237 633789805 /nfs/dbraw/zinc/78/98/05/633789805.db2.gz ZNIKTJJQLMUKNZ-SECBINFHSA-N 2 0 287.201 2.415 20 10 CECDRP C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H]1CCC[NH2+]C1 ZINC000817947504 633794036 /nfs/dbraw/zinc/79/40/36/633794036.db2.gz OTMHCDQAECZQQF-YUTCNCBUSA-N 2 0 260.381 2.357 20 10 CECDRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817953865 633797128 /nfs/dbraw/zinc/79/71/28/633797128.db2.gz VKVUAVCSXLWIKM-YWVKMMECSA-N 2 0 252.333 2.407 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000817954080 633798557 /nfs/dbraw/zinc/79/85/57/633798557.db2.gz BIMQVMLQPNUIPT-NWDGAFQWSA-N 2 0 264.369 2.051 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000817959723 633801980 /nfs/dbraw/zinc/80/19/80/633801980.db2.gz URKCHXMUPHBMEH-GXFFZTMASA-N 2 0 252.358 2.035 20 10 CECDRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000817967050 633809914 /nfs/dbraw/zinc/80/99/14/633809914.db2.gz DCHWBWLCAKPVMP-CYBMUJFWSA-N 2 0 259.397 2.323 20 10 CECDRP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(O)c1 ZINC000817981905 633824440 /nfs/dbraw/zinc/82/44/40/633824440.db2.gz OIUGOSWZPSSULL-KBPBESRZSA-N 2 0 278.396 2.038 20 10 CECDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000818616590 633960627 /nfs/dbraw/zinc/96/06/27/633960627.db2.gz YNCQGKNJBATKKH-SOUVJXGZSA-N 2 0 291.439 2.237 20 10 CECDRP Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876929655 650490487 /nfs/dbraw/zinc/49/04/87/650490487.db2.gz LJZJUTJYFZSXKS-ZDUSSCGKSA-N 2 0 260.381 2.275 20 10 CECDRP CCOc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1O ZINC000044515621 639321533 /nfs/dbraw/zinc/32/15/33/639321533.db2.gz DDCNHRIBROBPEJ-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044534961 639322091 /nfs/dbraw/zinc/32/20/91/639322091.db2.gz RIDCNRAHBOMUQX-OLZOCXBDSA-N 2 0 278.396 2.393 20 10 CECDRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226607227 639556023 /nfs/dbraw/zinc/55/60/23/639556023.db2.gz QWFLATNZEGKUFX-UHFFFAOYSA-N 2 0 266.360 2.353 20 10 CECDRP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1O ZINC000841030465 639623035 /nfs/dbraw/zinc/62/30/35/639623035.db2.gz SDKPIIZVTIPLLN-LLVKDONJSA-N 2 0 287.201 2.228 20 10 CECDRP Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841034438 639626838 /nfs/dbraw/zinc/62/68/38/639626838.db2.gz BDRMUMCZDDEKBB-JTQLQIEISA-N 2 0 299.212 2.244 20 10 CECDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H](C)C1 ZINC000841035386 639627429 /nfs/dbraw/zinc/62/74/29/639627429.db2.gz NJKNHNHOAULTKW-CJNGLKHVSA-N 2 0 261.413 2.131 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(O)c1 ZINC000841061424 639637048 /nfs/dbraw/zinc/63/70/48/639637048.db2.gz IVJGSIFVHFZJSH-DGCLKSJQSA-N 2 0 264.369 2.021 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000841078684 639647576 /nfs/dbraw/zinc/64/75/76/639647576.db2.gz IEUDDIJIPXKSAI-HNNXBMFYSA-N 2 0 276.380 2.023 20 10 CECDRP CN(C)c1ccc(/C=C/C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000841091507 639654552 /nfs/dbraw/zinc/65/45/52/639654552.db2.gz ZLVJJCQBVMFZFW-HWKANZROSA-N 2 0 273.424 2.498 20 10 CECDRP COc1cc(Cl)cc(C[NH2+]CCC[NH2+]C2CC2)c1O ZINC000841094642 639655846 /nfs/dbraw/zinc/65/58/46/639655846.db2.gz ZTESZBXUMJFMJU-UHFFFAOYSA-N 2 0 284.787 2.286 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843057847 640260125 /nfs/dbraw/zinc/26/01/25/640260125.db2.gz MMGDHFYZDQVZOU-UONOGXRCSA-N 2 0 261.413 2.230 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000843342791 640394728 /nfs/dbraw/zinc/39/47/28/640394728.db2.gz ONWQFGIGBYGQFR-SOUVJXGZSA-N 2 0 291.414 2.369 20 10 CECDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)cc1O ZINC000877159075 650602814 /nfs/dbraw/zinc/60/28/14/650602814.db2.gz RWLBZJGGUUSUCC-OAHLLOKOSA-N 2 0 280.412 2.147 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000849350811 642340179 /nfs/dbraw/zinc/34/01/79/642340179.db2.gz XFJAOHJUNIWTJI-CABCVRRESA-N 2 0 289.423 2.006 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+]C3CCC([NH3+])CC3)C2)cc1 ZINC000849350729 642341024 /nfs/dbraw/zinc/34/10/24/642341024.db2.gz UHDVYFSHYCMPBL-NRXISQOPSA-N 2 0 289.423 2.133 20 10 CECDRP Cc1cccc(O)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000877642251 650831524 /nfs/dbraw/zinc/83/15/24/650831524.db2.gz IIHNYNMMOFYSQS-OAHLLOKOSA-N 2 0 292.423 2.243 20 10 CECDRP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877742877 650887623 /nfs/dbraw/zinc/88/76/23/650887623.db2.gz GWAAMDLFVFAYKH-DZGCQCFKSA-N 2 0 260.381 2.227 20 10 CECDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000126797023 650946761 /nfs/dbraw/zinc/94/67/61/650946761.db2.gz XRVWDFNPFVPVKY-NXEZZACHSA-N 2 0 254.761 2.215 20 10 CECDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000126801796 650957495 /nfs/dbraw/zinc/95/74/95/650957495.db2.gz SNLQXCVZMLVHCW-NXEZZACHSA-N 2 0 254.761 2.215 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872251232 649328847 /nfs/dbraw/zinc/32/88/47/649328847.db2.gz IGWIHQMLJWNVMW-ZDUSSCGKSA-N 2 0 278.396 2.269 20 10 CECDRP COc1ccc(N2CC[NH+](CCCCCC[NH3+])CC2)cc1 ZINC000020072745 649722593 /nfs/dbraw/zinc/72/25/93/649722593.db2.gz LHRPAWYVVASSTM-UHFFFAOYSA-N 2 0 291.439 2.336 20 10 CECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C)c3O)C[C@H]2C1 ZINC001231595239 807177582 /nfs/dbraw/zinc/17/75/82/807177582.db2.gz RQEQZSMCTVINOL-HUUCEWRRSA-N 2 0 260.381 2.084 20 10 CECDRP [NH3+][C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001205110324 807672578 /nfs/dbraw/zinc/67/25/78/807672578.db2.gz SERHOYPVGSGJKQ-SNVBAGLBSA-N 2 0 254.761 2.359 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001172104305 815294553 /nfs/dbraw/zinc/29/45/53/815294553.db2.gz DUEGSECQJYHGPC-QDMKHBRRSA-N 2 0 290.407 2.245 20 10 CECDRP [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000708480836 809929041 /nfs/dbraw/zinc/92/90/41/809929041.db2.gz MMVBBCIELRXWNJ-QWHCGFSZSA-N 2 0 282.334 2.387 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000388927912 813245464 /nfs/dbraw/zinc/24/54/64/813245464.db2.gz RYEVEZOHZBGLSR-HNNXBMFYSA-N 2 0 261.413 2.230 20 10 CECDRP CN1CCN(c2ccc(C[NH2+]C(C)(C)CF)cc2F)CC1 ZINC001116630269 814870103 /nfs/dbraw/zinc/87/01/03/814870103.db2.gz BATTZGGXRGYFMK-UHFFFAOYSA-N 2 0 297.393 2.415 20 10 CECDRP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)cc1O ZINC001206319088 816691908 /nfs/dbraw/zinc/69/19/08/816691908.db2.gz XLLDKSJKIDINSY-MRXNPFEDSA-N 2 0 294.395 2.057 20 10 CECDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3O)CC[C@@H]21 ZINC000156093017 366827398 /nfs/dbraw/zinc/82/73/98/366827398.db2.gz QLPCLSCAAFVWKM-ZFWWWQNUSA-N 2 0 260.381 2.308 20 10 CECDRP COc1ccc(N2CCC([NH2+]CCC[NH+](C)C)CC2)cc1 ZINC000151930119 394981918 /nfs/dbraw/zinc/98/19/18/394981918.db2.gz QAWNLPLZQNPBPR-UHFFFAOYSA-N 2 0 291.439 2.205 20 10 CECDRP Oc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300416029 261199621 /nfs/dbraw/zinc/19/96/21/261199621.db2.gz DNUTZQRRQBOVKY-KGLIPLIRSA-N 2 0 264.344 2.248 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295928558 276212812 /nfs/dbraw/zinc/21/28/12/276212812.db2.gz KBDRDXVWLSPIBH-JSGCOSHPSA-N 2 0 260.381 2.311 20 10 CECDRP C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C[NH+](C)C ZINC000291815674 279347695 /nfs/dbraw/zinc/34/76/95/279347695.db2.gz YOWOFVMLUNBZGY-GFCCVEGCSA-N 2 0 267.392 2.179 20 10 CECDRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000044517611 624462289 /nfs/dbraw/zinc/46/22/89/624462289.db2.gz JOFICRPBXOZUMN-UHFFFAOYSA-N 2 0 278.396 2.222 20 10 CECDRP COc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000894188223 629198801 /nfs/dbraw/zinc/19/88/01/629198801.db2.gz SHZFOFNGEQCMEV-GJZGRUSLSA-N 2 0 290.407 2.426 20 10 CECDRP COc1cc(C)cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1O ZINC000895290781 630083452 /nfs/dbraw/zinc/08/34/52/630083452.db2.gz UIDMWFRLXBTZHG-GFCCVEGCSA-N 2 0 266.385 2.139 20 10 CECDRP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000841032847 631821065 /nfs/dbraw/zinc/82/10/65/631821065.db2.gz GEPVHLODUSXTPD-HIFRSBDPSA-N 2 0 262.397 2.481 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000816649408 633457285 /nfs/dbraw/zinc/45/72/85/633457285.db2.gz YRSYQVJULKDECC-HUUCEWRRSA-N 2 0 273.424 2.279 20 10 CECDRP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841070948 633459924 /nfs/dbraw/zinc/45/99/24/633459924.db2.gz ABYAENVJTFOVOD-LLVKDONJSA-N 2 0 287.201 2.290 20 10 CECDRP COc1cccc(O)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817416100 633654902 /nfs/dbraw/zinc/65/49/02/633654902.db2.gz IOWVNESAEAFBFV-UHFFFAOYSA-N 2 0 278.396 2.363 20 10 CECDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817962009 633804658 /nfs/dbraw/zinc/80/46/58/633804658.db2.gz GKGAEOKDJSLNAJ-BDAKNGLRSA-N 2 0 287.201 2.400 20 10 CECDRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)ccc1O ZINC000817964723 633807059 /nfs/dbraw/zinc/80/70/59/633807059.db2.gz GBQHICKFMQOPGN-LBPRGKRZSA-N 2 0 299.212 2.415 20 10 CECDRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1O ZINC000817975743 633818801 /nfs/dbraw/zinc/81/88/01/633818801.db2.gz AMNCNNYFAWEEAW-YGRLFVJLSA-N 2 0 264.344 2.324 20 10 CECDRP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000817976699 633819960 /nfs/dbraw/zinc/81/99/60/633819960.db2.gz RQBNJOAEQIJQCW-SWLSCSKDSA-N 2 0 260.381 2.493 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2c1c(F)ccc2O ZINC000817982507 633826647 /nfs/dbraw/zinc/82/66/47/633826647.db2.gz UFNNYIZWZVEVQT-WZRBSPASSA-N 2 0 294.370 2.048 20 10 CECDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCCC[NH2+]C1 ZINC000903716805 635231207 /nfs/dbraw/zinc/23/12/07/635231207.db2.gz SWLYWARHRLPVEJ-HNNXBMFYSA-N 2 0 273.424 2.288 20 10 CECDRP CCOc1ccc(C[NH2+]CCC(C)(C)[NH3+])c(O)c1 ZINC000903938777 635363669 /nfs/dbraw/zinc/36/36/69/635363669.db2.gz KBWXSERHISXICV-UHFFFAOYSA-N 2 0 252.358 2.008 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904388063 635610244 /nfs/dbraw/zinc/61/02/44/635610244.db2.gz ATIYRUVILLAGMD-CZUORRHYSA-N 2 0 274.408 2.347 20 10 CECDRP COc1cc(C)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000164294479 639363490 /nfs/dbraw/zinc/36/34/90/639363490.db2.gz LVHIEQMWENUCSV-UHFFFAOYSA-N 2 0 292.423 2.483 20 10 CECDRP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000045663495 639448788 /nfs/dbraw/zinc/44/87/88/639448788.db2.gz PEIPSSGLSBGVHF-UHFFFAOYSA-N 2 0 256.777 2.477 20 10 CECDRP C[NH+](C)CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000226562256 639553593 /nfs/dbraw/zinc/55/35/93/639553593.db2.gz QRPRTLVNBZKKHT-UHFFFAOYSA-N 2 0 266.360 2.305 20 10 CECDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841029056 639621443 /nfs/dbraw/zinc/62/14/43/639621443.db2.gz FCLNWCCFORSUBK-GJZGRUSLSA-N 2 0 260.381 2.229 20 10 CECDRP Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000841032400 639623538 /nfs/dbraw/zinc/62/35/38/639623538.db2.gz BSNODWGIPIUBBH-ZIAGYGMSSA-N 2 0 262.397 2.487 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841064960 639641311 /nfs/dbraw/zinc/64/13/11/639641311.db2.gz XHGZCEKPNHJRGR-SKDRFNHKSA-N 2 0 254.761 2.133 20 10 CECDRP COCC1(C[NH2+]Cc2cc(C)c(C)cc2O)CC[NH2+]CC1 ZINC000841068222 639642466 /nfs/dbraw/zinc/64/24/66/639642466.db2.gz LCYKNXAHQIXFSK-UHFFFAOYSA-N 2 0 292.423 2.115 20 10 CECDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841073613 639643310 /nfs/dbraw/zinc/64/33/10/639643310.db2.gz HWRXASISBPFXAG-KWOWKCNFSA-N 2 0 272.392 2.227 20 10 CECDRP COc1cc(O)c(C[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000841079350 639648237 /nfs/dbraw/zinc/64/82/37/639648237.db2.gz KGRJQLMGNAPGAD-NSHDSACASA-N 2 0 282.384 2.017 20 10 CECDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841081067 639649687 /nfs/dbraw/zinc/64/96/87/639649687.db2.gz SORYXISMNLHZGA-GFCCVEGCSA-N 2 0 267.392 2.499 20 10 CECDRP COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000841083173 639649748 /nfs/dbraw/zinc/64/97/48/639649748.db2.gz PHNZUVPTDVTKBI-JOCQHMNTSA-N 2 0 278.396 2.256 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(O)c1 ZINC000841084464 639650669 /nfs/dbraw/zinc/65/06/69/639650669.db2.gz JXFYBLWTAHDUGH-AAEUAGOBSA-N 2 0 264.369 2.008 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841099573 639661092 /nfs/dbraw/zinc/66/10/92/639661092.db2.gz MEQGGSQAESGADI-XJKSGUPXSA-N 2 0 275.440 2.478 20 10 CECDRP C[NH2+]CCCN(C)Cc1c(O)cc(C)cc1Cl ZINC000841105076 639681988 /nfs/dbraw/zinc/68/19/88/639681988.db2.gz YSVKEDSUSKBDEB-UHFFFAOYSA-N 2 0 256.777 2.395 20 10 CECDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1O ZINC000841751795 639858246 /nfs/dbraw/zinc/85/82/46/639858246.db2.gz KBENSEQVASQMPX-NSHDSACASA-N 2 0 286.803 2.274 20 10 CECDRP C[N@H+](Cc1cc(Br)ccc1O)C1CC[NH2+]CC1 ZINC000843045078 640249449 /nfs/dbraw/zinc/24/94/49/640249449.db2.gz HRPHNOKJFQBGGO-UHFFFAOYSA-N 2 0 299.212 2.339 20 10 CECDRP C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843052794 640256775 /nfs/dbraw/zinc/25/67/75/640256775.db2.gz WJIHVJJPTNKREU-DSLFPGPSSA-N 2 0 273.424 2.435 20 10 CECDRP Oc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125662 640292088 /nfs/dbraw/zinc/29/20/88/640292088.db2.gz DKCKMAGILXTXJS-ZIAGYGMSSA-N 2 0 260.381 2.214 20 10 CECDRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(O)c1 ZINC000844903319 640861304 /nfs/dbraw/zinc/86/13/04/640861304.db2.gz XHIBGGUKXWSESG-YOEHRIQHSA-N 2 0 290.407 2.352 20 10 CECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC(CC[NH3+])CC2)c1O ZINC000846224939 641233697 /nfs/dbraw/zinc/23/36/97/641233697.db2.gz DPVKHPIPGYJTDX-UHFFFAOYSA-N 2 0 294.370 2.295 20 10 CECDRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1N(C)C ZINC000923332988 643665477 /nfs/dbraw/zinc/66/54/77/643665477.db2.gz OBYDGNQNGOAEFZ-HRCADAONSA-N 2 0 273.424 2.230 20 10 CECDRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C)cc1O ZINC000863540168 646750947 /nfs/dbraw/zinc/75/09/47/646750947.db2.gz BORPHSFRTYQGTE-CQSZACIVSA-N 2 0 278.396 2.249 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863651159 646776301 /nfs/dbraw/zinc/77/63/01/646776301.db2.gz HSPNMHZXVRHDGS-IYBDPMFKSA-N 2 0 260.381 2.132 20 10 CECDRP C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793220187 648725626 /nfs/dbraw/zinc/72/56/26/648725626.db2.gz LILBEVXPLPFFDN-GASCZTMLSA-N 2 0 273.424 2.421 20 10 CECDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748887 648793363 /nfs/dbraw/zinc/79/33/63/648793363.db2.gz VGJAOYRQLLBXCI-SFHVURJKSA-N 2 0 297.402 2.468 20 10 CECDRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2c1c(F)ccc2O ZINC000873255565 649611686 /nfs/dbraw/zinc/61/16/86/649611686.db2.gz HRGDXMLYXKFHRT-BFLSOPEQSA-N 2 0 264.344 2.407 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205124203 807718839 /nfs/dbraw/zinc/71/88/39/807718839.db2.gz LJFGVBCGOZZSOO-ZDUSSCGKSA-N 2 0 264.369 2.104 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C[NH3+] ZINC001120268447 815208946 /nfs/dbraw/zinc/20/89/46/815208946.db2.gz FKIUSZHFDAMAMD-GDBMZVCRSA-N 2 0 273.424 2.313 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001172106210 815295974 /nfs/dbraw/zinc/29/59/74/815295974.db2.gz NMOLCNDSCPXCPA-ZSOGYDGISA-N 2 0 276.380 2.203 20 10 CECDRP Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)c1 ZINC000702397143 809547495 /nfs/dbraw/zinc/54/74/95/809547495.db2.gz OMTHWCYRJYGQNC-ZBFHGGJFSA-N 2 0 260.381 2.084 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC001118241673 810131726 /nfs/dbraw/zinc/13/17/26/810131726.db2.gz KBEZQXQIVTVVFD-RHSMWYFYSA-N 2 0 273.424 2.456 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397429068 813618192 /nfs/dbraw/zinc/61/81/92/813618192.db2.gz ZGPBRDAQVYQUNI-DYEKYZERSA-N 2 0 278.396 2.206 20 10 CECDRP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(O)c1 ZINC001140952341 816424542 /nfs/dbraw/zinc/42/45/42/816424542.db2.gz OBAZEOBIDINHTK-HIFRSBDPSA-N 2 0 260.381 2.084 20 10 CECDRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1O ZINC000020128456 171015162 /nfs/dbraw/zinc/01/51/62/171015162.db2.gz QHZMBVNNSNFSCL-INIZCTEOSA-N 2 0 291.439 2.070 20 10 CECDRP CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000020524019 171236689 /nfs/dbraw/zinc/23/66/89/171236689.db2.gz KHSZYFDMMOCEMC-ZXFUBFMLSA-N 2 0 273.424 2.467 20 10 CECDRP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C)cc1O ZINC000280117729 522610629 /nfs/dbraw/zinc/61/06/29/522610629.db2.gz OCLLFHRNMZWVNN-ZBFHGGJFSA-N 2 0 292.423 2.198 20 10 CECDRP Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292739411 524407761 /nfs/dbraw/zinc/40/77/61/524407761.db2.gz HDKIHFZTGGKGNZ-INIZCTEOSA-N 2 0 260.381 2.228 20 10 CECDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000925696356 628530852 /nfs/dbraw/zinc/53/08/52/628530852.db2.gz ZYPRJPIPYPKOIP-LSDHHAIUSA-N 2 0 261.413 2.307 20 10 CECDRP Cc1cc(O)c(C[NH2+]CC[C@H](C)[NH+](C)C)cc1C ZINC000895297764 630086483 /nfs/dbraw/zinc/08/64/83/630086483.db2.gz OGSIHGDJQJNOPV-ZDUSSCGKSA-N 2 0 250.386 2.439 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000841033733 631833395 /nfs/dbraw/zinc/83/33/95/631833395.db2.gz VEPZQUCIUWJKCM-OLZOCXBDSA-N 2 0 278.396 2.269 20 10 CECDRP CC[C@H]([NH3+])C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841070949 633460797 /nfs/dbraw/zinc/46/07/97/633460797.db2.gz ABYAENVJTFOVOD-NSHDSACASA-N 2 0 287.201 2.290 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])ccc21 ZINC000817901447 633763129 /nfs/dbraw/zinc/76/31/29/633763129.db2.gz VSRUNXDXCWLXGT-GJZGRUSLSA-N 2 0 259.397 2.038 20 10 CECDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817959512 633801881 /nfs/dbraw/zinc/80/18/81/633801881.db2.gz GTXDJKTUGNJDAL-MJBXVCDLSA-N 2 0 260.381 2.487 20 10 CECDRP C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC[NH2+]C1 ZINC000817966442 633808197 /nfs/dbraw/zinc/80/81/97/633808197.db2.gz NZWKBZQDYSCCAP-BBRMVZONSA-N 2 0 260.381 2.359 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000817970047 633813184 /nfs/dbraw/zinc/81/31/84/633813184.db2.gz KFSPTVNMUVBIOO-SRVKXCTJSA-N 2 0 264.369 2.321 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000817970048 633814360 /nfs/dbraw/zinc/81/43/60/633814360.db2.gz KFSPTVNMUVBIOO-TUAOUCFPSA-N 2 0 264.369 2.321 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000817978161 633821451 /nfs/dbraw/zinc/82/14/51/633821451.db2.gz XQNRFJPOLPAGBR-QWRGUYRKSA-N 2 0 252.358 2.179 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1C[NH3+] ZINC000904410138 635616720 /nfs/dbraw/zinc/61/67/20/635616720.db2.gz BHTQMDDURJWWJP-OCCSQVGLSA-N 2 0 279.403 2.308 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1C[NH3+] ZINC000904411249 635619341 /nfs/dbraw/zinc/61/93/41/635619341.db2.gz KHKHNXBBPRGXFQ-HIFRSBDPSA-N 2 0 261.413 2.169 20 10 CECDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000044533027 639322253 /nfs/dbraw/zinc/32/22/53/639322253.db2.gz FUIBIIABFLZOAP-AWEZNQCLSA-N 2 0 260.381 2.053 20 10 CECDRP COc1ccc(N2CCC([NH2+]C[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000841029104 639621602 /nfs/dbraw/zinc/62/16/02/639621602.db2.gz GHTQUGXKZIKIIT-QGZVFWFLSA-N 2 0 291.439 2.237 20 10 CECDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]C1 ZINC000841032873 639625154 /nfs/dbraw/zinc/62/51/54/639625154.db2.gz GPABYYXFIZNBHE-WFASDCNBSA-N 2 0 260.381 2.099 20 10 CECDRP COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000841035013 639626452 /nfs/dbraw/zinc/62/64/52/639626452.db2.gz GNVMJELWZCYZEI-HNNXBMFYSA-N 2 0 289.423 2.006 20 10 CECDRP [NH3+]C1(C[NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000841039547 639629985 /nfs/dbraw/zinc/62/99/85/639629985.db2.gz TWLHVYYGULROLC-UHFFFAOYSA-N 2 0 252.333 2.283 20 10 CECDRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000841080631 639649216 /nfs/dbraw/zinc/64/92/16/639649216.db2.gz UTFXKZPDMJRIOJ-OAHLLOKOSA-N 2 0 260.381 2.235 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(O)c1 ZINC000843051493 640254415 /nfs/dbraw/zinc/25/44/15/640254415.db2.gz JKEOGGIBAKQEGZ-QWHCGFSZSA-N 2 0 278.396 2.350 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(O)c1 ZINC000843051494 640254581 /nfs/dbraw/zinc/25/45/81/640254581.db2.gz JKEOGGIBAKQEGZ-STQMWFEESA-N 2 0 278.396 2.350 20 10 CECDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000843052531 640256678 /nfs/dbraw/zinc/25/66/78/640256678.db2.gz NBZDGSDMIGPOKU-GFCCVEGCSA-N 2 0 279.403 2.451 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000843059205 640261294 /nfs/dbraw/zinc/26/12/94/640261294.db2.gz GEADEVANBDSKQG-CFVMTHIKSA-N 2 0 260.381 2.260 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(O)c1 ZINC000843120180 640289163 /nfs/dbraw/zinc/28/91/63/640289163.db2.gz MYVGYPVZZRULCT-UHFFFAOYSA-N 2 0 290.407 2.366 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120458 640289801 /nfs/dbraw/zinc/28/98/01/640289801.db2.gz LHMJBZWZAXFEPZ-KRWDZBQOSA-N 2 0 273.424 2.246 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125598 640291853 /nfs/dbraw/zinc/29/18/53/640291853.db2.gz YMDTWIUXFBFCSA-OLZOCXBDSA-N 2 0 278.371 2.353 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1O ZINC000843129640 640296380 /nfs/dbraw/zinc/29/63/80/640296380.db2.gz RBGYRMFNYGOBER-MNOVXSKESA-N 2 0 252.358 2.006 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1O ZINC000843129641 640296590 /nfs/dbraw/zinc/29/65/90/640296590.db2.gz RBGYRMFNYGOBER-QWRGUYRKSA-N 2 0 252.358 2.006 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000252413532 641577668 /nfs/dbraw/zinc/57/76/68/641577668.db2.gz DQYHKVNTDGEHCC-DZGCQCFKSA-N 2 0 290.407 2.365 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169391 641639999 /nfs/dbraw/zinc/63/99/99/641639999.db2.gz WOVIGAMHFHAMII-CQSZACIVSA-N 2 0 261.413 2.313 20 10 CECDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000126797459 650946374 /nfs/dbraw/zinc/94/63/74/650946374.db2.gz XRVWDFNPFVPVKY-ZJUUUORDSA-N 2 0 254.761 2.215 20 10 CECDRP CCN(C)c1ccc([C@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000863543007 646752067 /nfs/dbraw/zinc/75/20/67/646752067.db2.gz JYBVIFNQYIQWSK-AWEZNQCLSA-N 2 0 279.428 2.029 20 10 CECDRP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c(O)c1C ZINC000863542534 646752241 /nfs/dbraw/zinc/75/22/41/646752241.db2.gz WJIXGMJTTKXDDB-CYBMUJFWSA-N 2 0 278.396 2.168 20 10 CECDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000872251792 649328864 /nfs/dbraw/zinc/32/88/64/649328864.db2.gz NFUNZXAKGGPRMJ-CYBMUJFWSA-N 2 0 266.360 2.399 20 10 CECDRP COCCC1([NH2+]Cc2cc(Cl)ccc2O)CC[NH2+]CC1 ZINC000873224578 649597871 /nfs/dbraw/zinc/59/78/71/649597871.db2.gz GOEKCCLSBPCSDL-UHFFFAOYSA-N 2 0 298.814 2.294 20 10 CECDRP COCCC1([NH2+]Cc2cc(C)c(C)cc2O)CC[NH2+]CC1 ZINC000873225361 649598259 /nfs/dbraw/zinc/59/82/59/649598259.db2.gz WXZUUYQHKYZVQM-UHFFFAOYSA-N 2 0 292.423 2.257 20 10 CECDRP CC1([NH3+])CCN(Cc2c(O)cccc2Cl)CC1 ZINC000704598283 809739331 /nfs/dbraw/zinc/73/93/31/809739331.db2.gz VKZXMBUBMIWRIQ-UHFFFAOYSA-N 2 0 254.761 2.359 20 10 CECDRP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000383389518 803470813 /nfs/dbraw/zinc/47/08/13/803470813.db2.gz JQCUNBMBEBSYKU-CYBMUJFWSA-N 2 0 254.761 2.216 20 10 CECDRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000311233216 803669479 /nfs/dbraw/zinc/66/94/79/803669479.db2.gz RVTLJUAHQLTIQJ-NSHDSACASA-N 2 0 252.333 2.092 20 10 CECDRP CN(C)c1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222533001 803894780 /nfs/dbraw/zinc/89/47/80/803894780.db2.gz RCZZAXFVVGXRQT-UHFFFAOYSA-N 2 0 265.376 2.015 20 10 CECDRP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001118122294 814985955 /nfs/dbraw/zinc/98/59/55/814985955.db2.gz STWSSBJNESLAFU-GBNBPPIOSA-N 2 0 258.365 2.056 20 10 CECDRP COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000700817568 809356574 /nfs/dbraw/zinc/35/65/74/809356574.db2.gz VPOIMQGUVFKYMS-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3O)C[C@H]2C1 ZINC001140750062 816342498 /nfs/dbraw/zinc/34/24/98/816342498.db2.gz UNWFBNOCSUIXAP-HUUCEWRRSA-N 2 0 290.407 2.180 20 10 CECDRP Oc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371463715 373891957 /nfs/dbraw/zinc/89/19/57/373891957.db2.gz KOTGZCZHAUGPED-BZUAXINKSA-N 2 0 272.392 2.308 20 10 CECDRP CN(C)c1ccc(C[N@H+](C)CCCn2ccnc2)cc1 ZINC000182671322 395247148 /nfs/dbraw/zinc/24/71/48/395247148.db2.gz UIMCMPZUYWOIRW-UHFFFAOYSA-N 2 0 272.396 2.471 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185009006 262038336 /nfs/dbraw/zinc/03/83/36/262038336.db2.gz WWUSOPNHQVWSOJ-LBPRGKRZSA-N 2 0 284.375 2.150 20 10 CECDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3O)CC[C@@H]21 ZINC000156093142 263048519 /nfs/dbraw/zinc/04/85/19/263048519.db2.gz QLPCLSCAAFVWKM-HIFRSBDPSA-N 2 0 260.381 2.308 20 10 CECDRP Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253843 327191187 /nfs/dbraw/zinc/19/11/87/327191187.db2.gz ZNENIVZODXOCIT-CQSZACIVSA-N 2 0 262.397 2.474 20 10 CECDRP CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+](CCOC)C1 ZINC000278357600 521697285 /nfs/dbraw/zinc/69/72/85/521697285.db2.gz JIBFBXHVGBINPP-QGZVFWFLSA-N 2 0 291.439 2.082 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044515558 624460252 /nfs/dbraw/zinc/46/02/52/624460252.db2.gz WCPUSSZWYYQDLO-GFCCVEGCSA-N 2 0 278.396 2.393 20 10 CECDRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1O ZINC000925881723 628980954 /nfs/dbraw/zinc/98/09/54/628980954.db2.gz FCTKLSICDHFYQA-UMNHJUIQSA-N 2 0 252.333 2.309 20 10 CECDRP COc1cc(C)cc(C[NH2+][C@@H](C)CC[NH+](C)C)c1O ZINC000894211263 629229620 /nfs/dbraw/zinc/22/96/20/629229620.db2.gz NBSUGIORCLTKBR-LBPRGKRZSA-N 2 0 266.385 2.139 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000841028661 631811030 /nfs/dbraw/zinc/81/10/30/631811030.db2.gz BXEDWBOFQGUJGG-RISCZKNCSA-N 2 0 264.369 2.008 20 10 CECDRP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000322833968 632244186 /nfs/dbraw/zinc/24/41/86/632244186.db2.gz HLZUZGJDLZPEBY-AGUYFDCRSA-N 2 0 276.380 2.116 20 10 CECDRP CN(C)c1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000841058335 632360993 /nfs/dbraw/zinc/36/09/93/632360993.db2.gz VTWGBWQZFKMPAP-MRXNPFEDSA-N 2 0 261.413 2.232 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841064118 632378303 /nfs/dbraw/zinc/37/83/03/632378303.db2.gz YJFWMNFKZKOOIX-SBAHZNLJSA-N 2 0 273.424 2.496 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000817903121 633763914 /nfs/dbraw/zinc/76/39/14/633763914.db2.gz IEQYHOHPEDOJBT-IAGOWNOFSA-N 2 0 289.423 2.133 20 10 CECDRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817955520 633798307 /nfs/dbraw/zinc/79/83/07/633798307.db2.gz XXENGAUMTSPKMV-MNOVXSKESA-N 2 0 252.333 2.182 20 10 CECDRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817955519 633798852 /nfs/dbraw/zinc/79/88/52/633798852.db2.gz XXENGAUMTSPKMV-GHMZBOCLSA-N 2 0 252.333 2.182 20 10 CECDRP Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000817956212 633799374 /nfs/dbraw/zinc/79/93/74/633799374.db2.gz TZCPJOUWFIERLR-CVEARBPZSA-N 2 0 259.397 2.028 20 10 CECDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(F)ccc1O ZINC000817982237 633824381 /nfs/dbraw/zinc/82/43/81/633824381.db2.gz PRJCKKCOFDHBSZ-NHCYSSNCSA-N 2 0 252.333 2.309 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000903966839 635399698 /nfs/dbraw/zinc/39/96/98/635399698.db2.gz CWOIICTXJNKNSS-ATQQARJTSA-N 2 0 273.424 2.211 20 10 CECDRP C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC[NH2+]C1 ZINC000904354997 635586732 /nfs/dbraw/zinc/58/67/32/635586732.db2.gz JHGWOXUPZWHMGL-KRWDZBQOSA-N 2 0 274.408 2.491 20 10 CECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834620967 637892391 /nfs/dbraw/zinc/89/23/91/637892391.db2.gz ZHVSPVVNXNTYNG-GJZGRUSLSA-N 2 0 292.423 2.326 20 10 CECDRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(O)c1 ZINC000876929634 650490514 /nfs/dbraw/zinc/49/05/14/650490514.db2.gz LFZFQCDPMUOCNS-CYBMUJFWSA-N 2 0 260.381 2.275 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000841030953 639622453 /nfs/dbraw/zinc/62/24/53/639622453.db2.gz PYTWKAJEYPIBEK-ZFWWWQNUSA-N 2 0 279.403 2.499 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033379 639625086 /nfs/dbraw/zinc/62/50/86/639625086.db2.gz SJSJLAYRHSZWBT-JTQLQIEISA-N 2 0 254.761 2.135 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841033149 639625527 /nfs/dbraw/zinc/62/55/27/639625527.db2.gz NJJTWJFZXQZQPN-XYPWUTKMSA-N 2 0 273.424 2.434 20 10 CECDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841064676 639639406 /nfs/dbraw/zinc/63/94/06/639639406.db2.gz SMQIQUIHCXLWHV-CABZTGNLSA-N 2 0 299.212 2.242 20 10 CECDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841071793 639643248 /nfs/dbraw/zinc/64/32/48/639643248.db2.gz BNVAHEAMWCZNME-CYBMUJFWSA-N 2 0 252.333 2.009 20 10 CECDRP COc1ccc(N2CCC([NH2+][C@@H](C)CCC[NH3+])CC2)cc1 ZINC000841079616 639648635 /nfs/dbraw/zinc/64/86/35/639648635.db2.gz KNRFUTCFDIUHNA-AWEZNQCLSA-N 2 0 291.439 2.381 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000841085187 639650448 /nfs/dbraw/zinc/65/04/48/639650448.db2.gz WGHOAKCZUOCOKA-XJKSGUPXSA-N 2 0 292.423 2.449 20 10 CECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000841090547 639653113 /nfs/dbraw/zinc/65/31/13/639653113.db2.gz KJMPGLUYQQWFQZ-MLGOLLRUSA-N 2 0 279.403 2.308 20 10 CECDRP COc1cccc(O)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841090184 639653331 /nfs/dbraw/zinc/65/33/31/639653331.db2.gz WXCIMRDWDRNOSZ-GFCCVEGCSA-N 2 0 276.380 2.165 20 10 CECDRP CN(C)c1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1F ZINC000843044329 640249680 /nfs/dbraw/zinc/24/96/80/640249680.db2.gz CYMHFKBZOOTXPH-UHFFFAOYSA-N 2 0 265.376 2.076 20 10 CECDRP CCC[N@H+](Cc1cc(OC)ccc1O)C1CC[NH2+]CC1 ZINC000843044947 640249693 /nfs/dbraw/zinc/24/96/93/640249693.db2.gz NFEWHAFBAKPBJE-UHFFFAOYSA-N 2 0 278.396 2.365 20 10 CECDRP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048308 640251946 /nfs/dbraw/zinc/25/19/46/640251946.db2.gz IPRHULVVUQSORL-ABCZVMIZSA-N 2 0 259.397 2.046 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000843048382 640252042 /nfs/dbraw/zinc/25/20/42/640252042.db2.gz OPGNJNJBRSYKST-SNVBAGLBSA-N 2 0 254.761 2.135 20 10 CECDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000843048560 640253956 /nfs/dbraw/zinc/25/39/56/640253956.db2.gz HKJWSRVLSMMOBE-CQSZACIVSA-N 2 0 279.403 2.453 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843057377 640259733 /nfs/dbraw/zinc/25/97/33/640259733.db2.gz JSRZCHFPANMWJY-DZGCQCFKSA-N 2 0 261.413 2.230 20 10 CECDRP CCOc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1O ZINC000843129642 640296458 /nfs/dbraw/zinc/29/64/58/640296458.db2.gz RBGYRMFNYGOBER-WDEREUQCSA-N 2 0 252.358 2.006 20 10 CECDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(Br)c1[O-] ZINC000843129934 640296660 /nfs/dbraw/zinc/29/66/60/640296660.db2.gz UXUMSKDFABPWLG-DTWKUNHWSA-N 2 0 287.201 2.370 20 10 CECDRP CCO[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)CN(C)C ZINC000922757498 643247441 /nfs/dbraw/zinc/24/74/41/643247441.db2.gz HELJTKVCLZUACN-HNNXBMFYSA-N 2 0 280.412 2.065 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923291449 643638812 /nfs/dbraw/zinc/63/88/12/643638812.db2.gz SQMIGAFBIGEWPD-DZGCQCFKSA-N 2 0 261.413 2.230 20 10 CECDRP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(O)cc1C ZINC000768444721 646124041 /nfs/dbraw/zinc/12/40/41/646124041.db2.gz BQJSRIWWOBJDFB-CYBMUJFWSA-N 2 0 278.396 2.093 20 10 CECDRP [NH3+]CCCOCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000863485223 646740788 /nfs/dbraw/zinc/74/07/88/646740788.db2.gz WSTZWPZYPSPGPG-UHFFFAOYSA-N 2 0 291.439 2.132 20 10 CECDRP CCOc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1O ZINC000020129019 649728631 /nfs/dbraw/zinc/72/86/31/649728631.db2.gz BQMKMXKDQRBTOI-UHFFFAOYSA-N 2 0 278.396 2.366 20 10 CECDRP Cc1c(O)ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1O ZINC001140747357 803513548 /nfs/dbraw/zinc/51/35/48/803513548.db2.gz ABBYQNGYBSVMRH-UHFFFAOYSA-N 2 0 290.407 2.324 20 10 CECDRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1C ZINC001204087455 815356124 /nfs/dbraw/zinc/35/61/24/815356124.db2.gz BPGIYGHBKNOTFK-BZUAXINKSA-N 2 0 274.408 2.433 20 10 CECDRP C[NH2+]C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000383930576 813110129 /nfs/dbraw/zinc/11/01/29/813110129.db2.gz BSFVIJBBEGDUBC-UHFFFAOYSA-N 2 0 254.761 2.229 20 10 CECDRP C[NH+]1CCC(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000389143287 813248255 /nfs/dbraw/zinc/24/82/55/813248255.db2.gz SXGUCWDEFGMIIX-AWEZNQCLSA-N 2 0 260.381 2.311 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC4(CCC4)C3)cc2)CC1 ZINC001139407742 816018925 /nfs/dbraw/zinc/01/89/25/816018925.db2.gz CBPIEWDWJWINGI-UHFFFAOYSA-N 2 0 285.435 2.424 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000019958832 361570004 /nfs/dbraw/zinc/57/00/04/361570004.db2.gz FLSQYUPENBGYDE-LLVKDONJSA-N 2 0 252.358 2.003 20 10 CECDRP Cc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c(O)c1C ZINC000273609168 373768907 /nfs/dbraw/zinc/76/89/07/373768907.db2.gz VGDNNWCFXMDJKU-CQSZACIVSA-N 2 0 292.423 2.116 20 10 CECDRP Oc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371463718 373890822 /nfs/dbraw/zinc/89/08/22/373890822.db2.gz KOTGZCZHAUGPED-PMPSAXMXSA-N 2 0 272.392 2.308 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000049553252 260664144 /nfs/dbraw/zinc/66/41/44/260664144.db2.gz GGRPWUHBVLYWTI-VXGBXAGGSA-N 2 0 266.385 2.392 20 10 CECDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1O ZINC000183415153 261974176 /nfs/dbraw/zinc/97/41/76/261974176.db2.gz ZHNXJGFVBUQDBM-CYBMUJFWSA-N 2 0 266.385 2.011 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293692562 264973206 /nfs/dbraw/zinc/97/32/06/264973206.db2.gz NVTLINWRVQMVHU-VXGBXAGGSA-N 2 0 266.385 2.249 20 10 CECDRP C[N@H+](Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289857876 523385855 /nfs/dbraw/zinc/38/58/55/523385855.db2.gz VHXQWNPDKMTENG-YIONKMFJSA-N 2 0 260.381 2.449 20 10 CECDRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(F)ccc2O)C1 ZINC000290649391 523973235 /nfs/dbraw/zinc/97/32/35/523973235.db2.gz YZNPDKXCKXZZIA-SWLSCSKDSA-N 2 0 278.371 2.447 20 10 CECDRP [NH3+]C1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000051693264 624522980 /nfs/dbraw/zinc/52/29/80/624522980.db2.gz AZSZRNHAVSVCMH-UHFFFAOYSA-N 2 0 254.761 2.405 20 10 CECDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1C ZINC000312064493 628801815 /nfs/dbraw/zinc/80/18/15/628801815.db2.gz DXMDSHBESRGEOI-MRVWCRGKSA-N 2 0 260.381 2.452 20 10 CECDRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1C ZINC000312064494 628801876 /nfs/dbraw/zinc/80/18/76/628801876.db2.gz DXMDSHBESRGEOI-XBFCOCLRSA-N 2 0 260.381 2.452 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000841073481 634734792 /nfs/dbraw/zinc/73/47/92/634734792.db2.gz VCVLENMQHUAACL-OAHLLOKOSA-N 2 0 278.396 2.269 20 10 CECDRP CCN(CC)c1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000843124581 631735856 /nfs/dbraw/zinc/73/58/56/631735856.db2.gz CKBRIGIXVKUTMI-UHFFFAOYSA-N 2 0 261.413 2.454 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000841034382 631842320 /nfs/dbraw/zinc/84/23/20/631842320.db2.gz ABQBYPLWWIRYDD-MJSXRHKHSA-N 2 0 273.424 2.355 20 10 CECDRP Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1C ZINC000841057339 632359149 /nfs/dbraw/zinc/35/91/49/632359149.db2.gz MEJJCZXKAHCMED-INIZCTEOSA-N 2 0 262.397 2.488 20 10 CECDRP Cc1cc(O)c(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1C ZINC000817866059 633748033 /nfs/dbraw/zinc/74/80/33/633748033.db2.gz VGPFPTHETWSQRT-UHFFFAOYSA-N 2 0 260.381 2.337 20 10 CECDRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000817967051 633810318 /nfs/dbraw/zinc/81/03/18/633810318.db2.gz DCHWBWLCAKPVMP-ZDUSSCGKSA-N 2 0 259.397 2.323 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000817971953 633815782 /nfs/dbraw/zinc/81/57/82/633815782.db2.gz RYTYBINHEHKXRS-GBIKHYSHSA-N 2 0 252.333 2.180 20 10 CECDRP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)ccc1O ZINC000817977156 633820437 /nfs/dbraw/zinc/82/04/37/633820437.db2.gz CRKANRWQITYMRB-KZVDOYCCSA-N 2 0 266.772 2.304 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCC[NH3+])c1 ZINC000817978160 633822066 /nfs/dbraw/zinc/82/20/66/633822066.db2.gz XQNRFJPOLPAGBR-MNOVXSKESA-N 2 0 252.358 2.179 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000817985573 633828154 /nfs/dbraw/zinc/82/81/54/633828154.db2.gz FPCIBZVLIUYVMA-GBJTYRQASA-N 2 0 272.392 2.357 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1O ZINC000817987073 633828516 /nfs/dbraw/zinc/82/85/16/633828516.db2.gz PSMWJLOSEOHKEF-REWJHTLYSA-N 2 0 260.381 2.431 20 10 CECDRP COc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818431957 633921297 /nfs/dbraw/zinc/92/12/97/633921297.db2.gz XQLTZVRCDYIFCF-ZDUSSCGKSA-N 2 0 290.407 2.365 20 10 CECDRP CCOCc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1OC ZINC000903938465 635363813 /nfs/dbraw/zinc/36/38/13/635363813.db2.gz BUPWSEWQUPBZDH-UHFFFAOYSA-N 2 0 280.412 2.449 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000903939841 635372900 /nfs/dbraw/zinc/37/29/00/635372900.db2.gz OJRXKNJTOYJGFO-WAYWQWQTSA-N 2 0 261.413 2.483 20 10 CECDRP CC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC[NH2+]CC1 ZINC000904356274 635588186 /nfs/dbraw/zinc/58/81/86/635588186.db2.gz UXWGUYBIEDUWTG-UHFFFAOYSA-N 2 0 274.408 2.491 20 10 CECDRP Cc1cccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1O ZINC000826903126 635876718 /nfs/dbraw/zinc/87/67/18/635876718.db2.gz NVDRWHUQQQNGFD-HNNXBMFYSA-N 2 0 293.455 2.062 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000827507684 636340728 /nfs/dbraw/zinc/34/07/28/636340728.db2.gz YVXCVMHBMJQALA-IAGOWNOFSA-N 2 0 285.435 2.280 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000841083277 637255158 /nfs/dbraw/zinc/25/51/58/637255158.db2.gz AKSYMQHCLAWDBS-ZFWWWQNUSA-N 2 0 261.413 2.278 20 10 CECDRP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)ccc1O ZINC000841030486 639622956 /nfs/dbraw/zinc/62/29/56/639622956.db2.gz JDKPUDBKEMYDAJ-UHFFFAOYSA-N 2 0 252.358 2.008 20 10 CECDRP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1O ZINC000841033083 639624919 /nfs/dbraw/zinc/62/49/19/639624919.db2.gz KGJIVTATVGTQFD-CHWSQXEVSA-N 2 0 278.396 2.269 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000841064643 639639456 /nfs/dbraw/zinc/63/94/56/639639456.db2.gz RQXMBGDGNGCNPK-XJKSGUPXSA-N 2 0 261.413 2.149 20 10 CECDRP COCC1(C[NH2+]Cc2c(O)cccc2Cl)CC[NH2+]CC1 ZINC000841068368 639642414 /nfs/dbraw/zinc/64/24/14/639642414.db2.gz MMBREUVXPXAUDW-UHFFFAOYSA-N 2 0 298.814 2.151 20 10 CECDRP CCOCc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000841085186 639650902 /nfs/dbraw/zinc/65/09/02/639650902.db2.gz WGHOAKCZUOCOKA-CZUORRHYSA-N 2 0 292.423 2.449 20 10 CECDRP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1O ZINC000841089614 639652949 /nfs/dbraw/zinc/65/29/49/639652949.db2.gz OUNBQLFSOHXYSQ-CQSZACIVSA-N 2 0 260.381 2.465 20 10 CECDRP CCCN(CCC)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000841094397 639655479 /nfs/dbraw/zinc/65/54/79/639655479.db2.gz XORHPTSTPMOFNE-QGZVFWFLSA-N 2 0 293.455 2.064 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000229104884 639676627 /nfs/dbraw/zinc/67/66/27/639676627.db2.gz YXTZWIZYEUZUPF-UWVGGRQHSA-N 2 0 284.787 2.223 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089140415 640085309 /nfs/dbraw/zinc/08/53/09/640085309.db2.gz FYWWFQBIXFDRBJ-HOCLYGCPSA-N 2 0 261.413 2.360 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000843059941 640262414 /nfs/dbraw/zinc/26/24/14/640262414.db2.gz VQTPVOWWXPWHGM-OFQRWUPVSA-N 2 0 291.414 2.451 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843124844 640290766 /nfs/dbraw/zinc/29/07/66/640290766.db2.gz JCJJIAVCWCKWFX-KGLIPLIRSA-N 2 0 290.407 2.222 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125190 640291942 /nfs/dbraw/zinc/29/19/42/640291942.db2.gz NRLQZEAPUYUNBL-UONOGXRCSA-N 2 0 290.407 2.222 20 10 CECDRP CCN(CC)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000032023121 640413688 /nfs/dbraw/zinc/41/36/88/640413688.db2.gz XURXLKVVDWAQIG-UHFFFAOYSA-N 2 0 261.413 2.456 20 10 CECDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC000844901445 640860113 /nfs/dbraw/zinc/86/01/13/640860113.db2.gz FMAFIBLZPQYUFG-BFYDXBDKSA-N 2 0 290.407 2.111 20 10 CECDRP COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000848556703 642052649 /nfs/dbraw/zinc/05/26/49/642052649.db2.gz BRNFOKKIUOFFPD-UPJWGTAASA-N 2 0 278.396 2.392 20 10 CECDRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000850500081 642734201 /nfs/dbraw/zinc/73/42/01/642734201.db2.gz COKDJGZNNXUNAC-GJZGRUSLSA-N 2 0 293.455 2.315 20 10 CECDRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923282744 643638833 /nfs/dbraw/zinc/63/88/33/643638833.db2.gz PWVXKHAEBWDFKH-INIZCTEOSA-N 2 0 275.440 2.492 20 10 CECDRP CCN(C)c1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000863542501 646752161 /nfs/dbraw/zinc/75/21/61/646752161.db2.gz WCHBIBBUNPANHC-CQSZACIVSA-N 2 0 291.439 2.301 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2c1c(F)ccc2O ZINC000863547156 646753413 /nfs/dbraw/zinc/75/34/13/646753413.db2.gz PRLHORZQYNOWBB-CMPLNLGQSA-N 2 0 282.359 2.035 20 10 CECDRP COc1cccc(O)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775024024 646916905 /nfs/dbraw/zinc/91/69/05/646916905.db2.gz QJLZMEKIZPDYJC-UHFFFAOYSA-N 2 0 290.407 2.365 20 10 CECDRP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873226992 649598514 /nfs/dbraw/zinc/59/85/14/649598514.db2.gz ARJDALFQCSUXBY-VXGBXAGGSA-N 2 0 288.313 2.270 20 10 CECDRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1O ZINC000873244719 649607210 /nfs/dbraw/zinc/60/72/10/649607210.db2.gz JBOYGEDZWQDZLC-CYBMUJFWSA-N 2 0 298.390 2.370 20 10 CECDRP Cc1cccc(O)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320851 808069742 /nfs/dbraw/zinc/06/97/42/808069742.db2.gz KRGURQYGEXRNMP-OKILXGFUSA-N 2 0 260.381 2.132 20 10 CECDRP [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000708480834 809928952 /nfs/dbraw/zinc/92/89/52/809928952.db2.gz MMVBBCIELRXWNJ-CHWSQXEVSA-N 2 0 282.334 2.387 20 10 CECDRP C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C[NH3+] ZINC000708898782 809937408 /nfs/dbraw/zinc/93/74/08/809937408.db2.gz APDJIEFJEXLONP-GXSJLCMTSA-N 2 0 299.212 2.181 20 10 CECDRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000381742122 810864313 /nfs/dbraw/zinc/86/43/13/810864313.db2.gz PIOZBCPDFONMRL-JSGCOSHPSA-N 2 0 260.381 2.311 20 10 CECDRP CCc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206196977 815645624 /nfs/dbraw/zinc/64/56/24/815645624.db2.gz FKFISMVCZSAACV-KGLIPLIRSA-N 2 0 266.360 2.216 20 10 CECDRP Cc1ccc(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1O ZINC001140179001 816204082 /nfs/dbraw/zinc/20/40/82/816204082.db2.gz BDATZNDCTHERNS-CABCVRRESA-N 2 0 274.408 2.393 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000179633752 368344104 /nfs/dbraw/zinc/34/41/04/368344104.db2.gz YJLCOPSJOBYNCA-ZDUSSCGKSA-N 2 0 278.396 2.174 20 10 CECDRP COc1cccc(C[NH2+]CCC[N@H+](C)C(C)C)c1O ZINC000227436223 394472574 /nfs/dbraw/zinc/47/25/74/394472574.db2.gz LHAPRZRUCISADS-UHFFFAOYSA-N 2 0 266.385 2.221 20 10 CECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2O)C1 ZINC000093770583 394669468 /nfs/dbraw/zinc/66/94/68/394669468.db2.gz YQYUJWOLBHSIRM-AWEZNQCLSA-N 2 0 262.397 2.474 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293692556 395248405 /nfs/dbraw/zinc/24/84/05/395248405.db2.gz NVTLINWRVQMVHU-NEPJUHHUSA-N 2 0 266.385 2.249 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293692558 395248434 /nfs/dbraw/zinc/24/84/34/395248434.db2.gz NVTLINWRVQMVHU-NWDGAFQWSA-N 2 0 266.385 2.249 20 10 CECDRP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C)cc1O ZINC000280117720 522850862 /nfs/dbraw/zinc/85/08/62/522850862.db2.gz OCLLFHRNMZWVNN-GDBMZVCRSA-N 2 0 292.423 2.198 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000840933104 628750204 /nfs/dbraw/zinc/75/02/04/628750204.db2.gz AIUWFIFCQZKUJU-OAHLLOKOSA-N 2 0 275.440 2.492 20 10 CECDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000841061418 632363791 /nfs/dbraw/zinc/36/37/91/632363791.db2.gz IRQSLNRGSIBEKO-WCQYABFASA-N 2 0 265.376 2.122 20 10 CECDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817896569 633758161 /nfs/dbraw/zinc/75/81/61/633758161.db2.gz KQCUDEZQTWIPLR-XJKSGUPXSA-N 2 0 261.413 2.230 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@H]3CCC[C@H]3[NH3+])ccc21 ZINC000817901446 633762854 /nfs/dbraw/zinc/76/28/54/633762854.db2.gz VSRUNXDXCWLXGT-CABCVRRESA-N 2 0 259.397 2.038 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000817947115 633794014 /nfs/dbraw/zinc/79/40/14/633794014.db2.gz KOEKPIWTHAUCCX-FRRDWIJNSA-N 2 0 278.396 2.440 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000817977002 633819549 /nfs/dbraw/zinc/81/95/49/633819549.db2.gz YXYNFEIIYAKSID-OCCSQVGLSA-N 2 0 258.365 2.111 20 10 CECDRP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000817976700 633819918 /nfs/dbraw/zinc/81/99/18/633819918.db2.gz RQBNJOAEQIJQCW-WFASDCNBSA-N 2 0 260.381 2.493 20 10 CECDRP C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)[C@H](C)[NH3+] ZINC000817977258 633820597 /nfs/dbraw/zinc/82/05/97/633820597.db2.gz FSKZVCVYUOPYIY-LOKLDPHHSA-N 2 0 252.333 2.405 20 10 CECDRP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1O ZINC000817981410 633824255 /nfs/dbraw/zinc/82/42/55/633824255.db2.gz JANJIQKRVWPGCO-AAEUAGOBSA-N 2 0 298.814 2.383 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC34CC4)cc2)CC1 ZINC000818230187 633891341 /nfs/dbraw/zinc/89/13/41/633891341.db2.gz OAILWZZSEBDNBE-MRXNPFEDSA-N 2 0 271.408 2.081 20 10 CECDRP CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000903494274 635158009 /nfs/dbraw/zinc/15/80/09/635158009.db2.gz ACRSPIUEBUNSHO-ZYHUDNBSSA-N 2 0 294.370 2.151 20 10 CECDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000903974076 635392503 /nfs/dbraw/zinc/39/25/03/635392503.db2.gz KYGNVMSWHAVBCW-UKRRQHHQSA-N 2 0 261.413 2.088 20 10 CECDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCC[NH2+]C1 ZINC000904353023 635585634 /nfs/dbraw/zinc/58/56/34/635585634.db2.gz GKVSTLKBTVXNAT-BBRMVZONSA-N 2 0 274.408 2.489 20 10 CECDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC[NH2+]1 ZINC000904356313 635587900 /nfs/dbraw/zinc/58/79/00/635587900.db2.gz VPVSDZWSUMAVKI-WFASDCNBSA-N 2 0 260.381 2.242 20 10 CECDRP Cc1cccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1O ZINC000904390534 635598692 /nfs/dbraw/zinc/59/86/92/635598692.db2.gz AQNVXDBHDOONGG-OAHLLOKOSA-N 2 0 290.407 2.030 20 10 CECDRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834764522 637943718 /nfs/dbraw/zinc/94/37/18/637943718.db2.gz FHYVEYWAXDFDNH-HNNXBMFYSA-N 2 0 292.423 2.328 20 10 CECDRP C[N@H+](CCCC[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000835061526 638044501 /nfs/dbraw/zinc/04/45/01/638044501.db2.gz HZBCGCBMUDHXCI-UHFFFAOYSA-N 2 0 292.379 2.085 20 10 CECDRP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876940793 650497254 /nfs/dbraw/zinc/49/72/54/650497254.db2.gz XTQMKNTZOYPKSY-KBPBESRZSA-N 2 0 260.381 2.417 20 10 CECDRP [NH3+]CCc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000841032053 639623649 /nfs/dbraw/zinc/62/36/49/639623649.db2.gz IJNQQQMZYRCZHV-UHFFFAOYSA-N 2 0 274.339 2.322 20 10 CECDRP C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000841033271 639625308 /nfs/dbraw/zinc/62/53/08/639625308.db2.gz MIKXXSAMAMJVGQ-GHMZBOCLSA-N 2 0 252.333 2.009 20 10 CECDRP Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000841038233 639628670 /nfs/dbraw/zinc/62/86/70/639628670.db2.gz HXCMDTFWQAYKKN-BRWVUGGUSA-N 2 0 273.424 2.322 20 10 CECDRP COc1cc(O)c(C[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000841039688 639630137 /nfs/dbraw/zinc/63/01/37/639630137.db2.gz ZKYRENGLJOSDII-UHFFFAOYSA-N 2 0 294.395 2.161 20 10 CECDRP CCN(CC)c1ccc(CNC[C@H]([NH3+])C2CC2)cc1F ZINC000841048907 639632102 /nfs/dbraw/zinc/63/21/02/639632102.db2.gz GOWOWOUOCRHNKV-HNNXBMFYSA-N 2 0 279.403 2.499 20 10 CECDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000841056919 639634311 /nfs/dbraw/zinc/63/43/11/639634311.db2.gz FYUXGIGPEDWXGT-NXEZZACHSA-N 2 0 254.761 2.405 20 10 CECDRP CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(O)c1 ZINC000841054633 639634595 /nfs/dbraw/zinc/63/45/95/639634595.db2.gz FVRRXICRXYJECQ-STQMWFEESA-N 2 0 264.369 2.150 20 10 CECDRP CCOc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(O)c1 ZINC000841056147 639634726 /nfs/dbraw/zinc/63/47/26/639634726.db2.gz CXPDPGOYMRGWIW-INIZCTEOSA-N 2 0 278.396 2.270 20 10 CECDRP Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058874 639637086 /nfs/dbraw/zinc/63/70/86/639637086.db2.gz WSWCAFCNOICFFD-GFCCVEGCSA-N 2 0 254.761 2.277 20 10 CECDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841063995 639640062 /nfs/dbraw/zinc/64/00/62/639640062.db2.gz NRNTYMKQLCJRHJ-XUOJHOASSA-N 2 0 273.424 2.353 20 10 CECDRP CN(C)c1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1F ZINC000843056613 640258530 /nfs/dbraw/zinc/25/85/30/640258530.db2.gz SMOVHYDQPZYLKP-UHFFFAOYSA-N 2 0 267.392 2.308 20 10 CECDRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(O)c1 ZINC000843059725 640262930 /nfs/dbraw/zinc/26/29/30/640262930.db2.gz RBAODYCQKLEMRJ-MAZHCROVSA-N 2 0 290.407 2.350 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000843113550 640285622 /nfs/dbraw/zinc/28/56/22/640285622.db2.gz WTILHECBWYNEDG-ZDUSSCGKSA-N 2 0 278.396 2.352 20 10 CECDRP CCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)c(O)c1 ZINC000844900559 640860315 /nfs/dbraw/zinc/86/03/15/640860315.db2.gz AFUUPNSEQQLTEJ-UHFFFAOYSA-N 2 0 264.369 2.010 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846142284 641199339 /nfs/dbraw/zinc/19/93/39/641199339.db2.gz ZVKIHDFJTONYLT-CHWSQXEVSA-N 2 0 278.396 2.393 20 10 CECDRP C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000253202410 641620135 /nfs/dbraw/zinc/62/01/35/641620135.db2.gz YVVYBSYCBBGLND-DZGCQCFKSA-N 2 0 261.413 2.169 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000848718420 642111278 /nfs/dbraw/zinc/11/12/78/642111278.db2.gz MOVAWMRTBQAVCR-HOTGVXAUSA-N 2 0 273.424 2.429 20 10 CECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000848718423 642111404 /nfs/dbraw/zinc/11/14/04/642111404.db2.gz MOVAWMRTBQAVCR-HZPDHXFCSA-N 2 0 273.424 2.429 20 10 CECDRP C[NH+]1CCC(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000083552453 642205266 /nfs/dbraw/zinc/20/52/66/642205266.db2.gz LIKOIBUIEXDTIU-UHFFFAOYSA-N 2 0 268.788 2.477 20 10 CECDRP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1N(C)C ZINC000923280335 643636898 /nfs/dbraw/zinc/63/68/98/643636898.db2.gz XETBTERZVHCBSD-UHFFFAOYSA-N 2 0 261.413 2.245 20 10 CECDRP CCN(C)c1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000863542500 646752010 /nfs/dbraw/zinc/75/20/10/646752010.db2.gz WCHBIBBUNPANHC-AWEZNQCLSA-N 2 0 291.439 2.301 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873261749 649615362 /nfs/dbraw/zinc/61/53/62/649615362.db2.gz RFFOTKQNZQHJRF-FAAHXZRKSA-N 2 0 272.392 2.500 20 10 CECDRP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c(O)c1 ZINC001205017969 805948618 /nfs/dbraw/zinc/94/86/18/805948618.db2.gz QEJNFAHRFOUFJJ-AWEZNQCLSA-N 2 0 262.397 2.386 20 10 CECDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000715532401 808758584 /nfs/dbraw/zinc/75/85/84/808758584.db2.gz LTFKVEGSSAMLIE-UHFFFAOYSA-N 2 0 264.369 2.060 20 10 CECDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001172112964 815302648 /nfs/dbraw/zinc/30/26/48/815302648.db2.gz BDEDRNRWFONLRP-ZSOGYDGISA-N 2 0 276.380 2.203 20 10 CECDRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1C ZINC001204087456 815355820 /nfs/dbraw/zinc/35/58/20/815355820.db2.gz BPGIYGHBKNOTFK-HRCADAONSA-N 2 0 274.408 2.433 20 10 CECDRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1C ZINC001204087457 815356298 /nfs/dbraw/zinc/35/62/98/815356298.db2.gz BPGIYGHBKNOTFK-OWCLPIDISA-N 2 0 274.408 2.433 20 10 CECDRP C[C@@H](C[NH2+]Cc1cc(F)ccc1O)C[NH+]1CCCC1 ZINC000226585310 370347240 /nfs/dbraw/zinc/34/72/40/370347240.db2.gz FDBZNXMMVIINGR-LBPRGKRZSA-N 2 0 266.360 2.353 20 10 CECDRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000155687895 261106211 /nfs/dbraw/zinc/10/62/11/261106211.db2.gz LEBVTBTZWHBWSI-ZBFHGGJFSA-N 2 0 291.439 2.069 20 10 CECDRP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252666924 334384579 /nfs/dbraw/zinc/38/45/79/334384579.db2.gz CUVLSCBCTBJFPJ-KGLIPLIRSA-N 2 0 276.380 2.117 20 10 CECDRP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C)cc1O ZINC000280117723 522860649 /nfs/dbraw/zinc/86/06/49/522860649.db2.gz OCLLFHRNMZWVNN-GOEBONIOSA-N 2 0 292.423 2.198 20 10 CECDRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(F)ccc2O)C1 ZINC000290647606 523974527 /nfs/dbraw/zinc/97/45/27/523974527.db2.gz YZNPDKXCKXZZIA-IUODEOHRSA-N 2 0 278.371 2.447 20 10 CECDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000742207086 575010549 /nfs/dbraw/zinc/01/05/49/575010549.db2.gz OXKYVENEXZNXQK-CZUORRHYSA-N 2 0 274.408 2.441 20 10 CECDRP CC1(C)[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925692528 628511578 /nfs/dbraw/zinc/51/15/78/628511578.db2.gz MAPKCRSOUYYAKX-OWCLPIDISA-N 2 0 273.424 2.178 20 10 CECDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(F)ccc1O ZINC000220327167 628825790 /nfs/dbraw/zinc/82/57/90/628825790.db2.gz DUQLOBMURDJFMV-ZDUSSCGKSA-N 2 0 254.349 2.337 20 10 CECDRP CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903977559 635395344 /nfs/dbraw/zinc/39/53/44/635395344.db2.gz UELWFYRAHSZQRF-CHWSQXEVSA-N 2 0 278.396 2.208 20 10 CECDRP Cc1cc(Br)cc(C[NH2+]CC2([NH3+])CC2)c1O ZINC000904448582 635641076 /nfs/dbraw/zinc/64/10/76/635641076.db2.gz BXHJQQDJGANXET-UHFFFAOYSA-N 2 0 285.185 2.044 20 10 CECDRP Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000322346281 632190944 /nfs/dbraw/zinc/19/09/44/632190944.db2.gz DGRWMXQLQNONRR-GOOCMWNKSA-N 2 0 260.381 2.415 20 10 CECDRP CCOc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1O ZINC000841056336 632359483 /nfs/dbraw/zinc/35/94/83/632359483.db2.gz FHSHPBKMVLJNLL-UHFFFAOYSA-N 2 0 278.396 2.270 20 10 CECDRP C[C@H](F)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000815148611 632972599 /nfs/dbraw/zinc/97/25/99/632972599.db2.gz BDJLBIDVNGOEJK-AWEZNQCLSA-N 2 0 279.403 2.276 20 10 CECDRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817946001 633792042 /nfs/dbraw/zinc/79/20/42/633792042.db2.gz PNWUHPNYMLVSKK-GHMZBOCLSA-N 2 0 252.333 2.182 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000817959722 633801079 /nfs/dbraw/zinc/80/10/79/633801079.db2.gz URKCHXMUPHBMEH-GWCFXTLKSA-N 2 0 252.358 2.035 20 10 CECDRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC[NH2+]1 ZINC000904356312 635587645 /nfs/dbraw/zinc/58/76/45/635587645.db2.gz VPVSDZWSUMAVKI-SWLSCSKDSA-N 2 0 260.381 2.242 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904405773 635612288 /nfs/dbraw/zinc/61/22/88/635612288.db2.gz PJXSRYFGRXNGFS-QDLOVBKTSA-N 2 0 273.424 2.437 20 10 CECDRP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876940795 650497122 /nfs/dbraw/zinc/49/71/22/650497122.db2.gz XTQMKNTZOYPKSY-UONOGXRCSA-N 2 0 260.381 2.417 20 10 CECDRP CC(C)C[C@@H]([NH3+])CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000841011242 639617402 /nfs/dbraw/zinc/61/74/02/639617402.db2.gz FTLKXORETCYPBM-OAHLLOKOSA-N 2 0 293.455 2.437 20 10 CECDRP [NH3+]CCc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000841031971 639623544 /nfs/dbraw/zinc/62/35/44/639623544.db2.gz FCWHGTZMDXEXCD-UHFFFAOYSA-N 2 0 256.349 2.183 20 10 CECDRP Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000841049519 639632451 /nfs/dbraw/zinc/63/24/51/639632451.db2.gz SYKUUOLVXUEVRJ-SECBINFHSA-N 2 0 287.201 2.148 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000841058628 639635537 /nfs/dbraw/zinc/63/55/37/639635537.db2.gz ZHUXSTCJTSKLOH-INIZCTEOSA-N 2 0 278.396 2.270 20 10 CECDRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228536381 639641200 /nfs/dbraw/zinc/64/12/00/639641200.db2.gz SPCVDHPUDCHZKK-NWANDNLSSA-N 2 0 260.381 2.260 20 10 CECDRP COc1cc(Cl)cc(C[NH2+][C@@H](C)CCC[NH3+])c1O ZINC000841078377 639647137 /nfs/dbraw/zinc/64/71/37/639647137.db2.gz CCPYZTQZHSNVOI-VIFPVBQESA-N 2 0 272.776 2.271 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000841078202 639647311 /nfs/dbraw/zinc/64/73/11/639647311.db2.gz GEJJQBXXEDNOIK-LIMHQNJXSA-N 2 0 285.435 2.498 20 10 CECDRP COc1ccc(O)c(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000841078791 639648621 /nfs/dbraw/zinc/64/86/21/639648621.db2.gz GPQNBHODBZOANA-NSHDSACASA-N 2 0 252.358 2.008 20 10 CECDRP CN(C)c1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000841093068 639654654 /nfs/dbraw/zinc/65/46/54/639654654.db2.gz QFPNMHWAIMVKRG-UHFFFAOYSA-N 2 0 265.376 2.123 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841099571 639661944 /nfs/dbraw/zinc/66/19/44/639661944.db2.gz MEQGGSQAESGADI-CJNGLKHVSA-N 2 0 275.440 2.478 20 10 CECDRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843045379 640250744 /nfs/dbraw/zinc/25/07/44/640250744.db2.gz WANUIZNSJWVGAT-AWEZNQCLSA-N 2 0 262.397 2.440 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c(O)c1 ZINC000843053876 640256387 /nfs/dbraw/zinc/25/63/87/640256387.db2.gz VRRZMOWPNWPWHX-WFASDCNBSA-N 2 0 278.396 2.350 20 10 CECDRP CN(C[C@]1(C)CC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000843064777 640266123 /nfs/dbraw/zinc/26/61/23/640266123.db2.gz BXONPXVLOLLSLH-QGZVFWFLSA-N 2 0 291.439 2.063 20 10 CECDRP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000843114950 640284831 /nfs/dbraw/zinc/28/48/31/640284831.db2.gz LRKVVJNXSOHJTF-LAQIPUCWSA-N 2 0 273.424 2.437 20 10 CECDRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843124843 640291080 /nfs/dbraw/zinc/29/10/80/640291080.db2.gz JCJJIAVCWCKWFX-KBPBESRZSA-N 2 0 290.407 2.222 20 10 CECDRP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(O)c1 ZINC000843126042 640293125 /nfs/dbraw/zinc/29/31/25/640293125.db2.gz FFOYJJBOSFZSEO-OKILXGFUSA-N 2 0 290.407 2.222 20 10 CECDRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1O ZINC000844905438 640861233 /nfs/dbraw/zinc/86/12/33/640861233.db2.gz ZIVWLHZPTHDCIT-UHFFFAOYSA-N 2 0 256.349 2.401 20 10 CECDRP COc1cccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1O ZINC000846142350 641199039 /nfs/dbraw/zinc/19/90/39/641199039.db2.gz RROJXYKURJRRJR-VXGBXAGGSA-N 2 0 266.385 2.392 20 10 CECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2O)C1 ZINC000180550394 641467009 /nfs/dbraw/zinc/46/70/09/641467009.db2.gz JFBNIOQVCYOINZ-CYBMUJFWSA-N 2 0 278.396 2.174 20 10 CECDRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000817941742 642182365 /nfs/dbraw/zinc/18/23/65/642182365.db2.gz WGJVAZALWAVVJM-SECBINFHSA-N 2 0 287.201 2.415 20 10 CECDRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817941743 642182756 /nfs/dbraw/zinc/18/27/56/642182756.db2.gz WGJVAZALWAVVJM-VIFPVBQESA-N 2 0 287.201 2.415 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000849350132 642340626 /nfs/dbraw/zinc/34/06/26/642340626.db2.gz RLDKQYGUMBOZRZ-UHFFFAOYSA-N 2 0 264.369 2.152 20 10 CECDRP CC[N@H+](CCC[NH+](C)C)Cc1c(C)cccc1O ZINC000877527826 650768349 /nfs/dbraw/zinc/76/83/49/650768349.db2.gz SIBUEPLVBKDLSG-UHFFFAOYSA-N 2 0 250.386 2.474 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C=CCC3)cc2)CC1 ZINC000850359108 642682333 /nfs/dbraw/zinc/68/23/33/642682333.db2.gz WQMCTGDKGQVOTD-MRXNPFEDSA-N 2 0 271.408 2.247 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923291451 643638550 /nfs/dbraw/zinc/63/85/50/643638550.db2.gz SQMIGAFBIGEWPD-HIFRSBDPSA-N 2 0 261.413 2.230 20 10 CECDRP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000877742684 650886842 /nfs/dbraw/zinc/88/68/42/650886842.db2.gz QOTRPRPMKJLIRY-DZGCQCFKSA-N 2 0 260.381 2.227 20 10 CECDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000126802246 650957553 /nfs/dbraw/zinc/95/75/53/650957553.db2.gz SNLQXCVZMLVHCW-ZJUUUORDSA-N 2 0 254.761 2.215 20 10 CECDRP CN(CCC[NH2+]Cc1c(O)cccc1Cl)CC[NH+](C)C ZINC000857783754 644968433 /nfs/dbraw/zinc/96/84/33/644968433.db2.gz AJXZHWPAYWGTJB-UHFFFAOYSA-N 2 0 299.846 2.019 20 10 CECDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)ccc1O ZINC000774380645 646840612 /nfs/dbraw/zinc/84/06/12/646840612.db2.gz JTLJDLRPUBXBMH-NSHDSACASA-N 2 0 286.803 2.274 20 10 CECDRP C[C@H]1C[C@H](C)[NH+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793220188 648725723 /nfs/dbraw/zinc/72/57/23/648725723.db2.gz LILBEVXPLPFFDN-GJZGRUSLSA-N 2 0 273.424 2.421 20 10 CECDRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2c1c(F)ccc2O ZINC000873250444 649609300 /nfs/dbraw/zinc/60/93/00/649609300.db2.gz HRGDXMLYXKFHRT-GUDRVLHUSA-N 2 0 264.344 2.407 20 10 CECDRP CC[NH+](CC)CC[C@@H](CO)NCc1ccc(OC)c(C)c1 ZINC000883161000 652383386 /nfs/dbraw/zinc/38/33/86/652383386.db2.gz HOCSWEYPIPGSAA-INIZCTEOSA-N 2 0 294.439 2.186 20 10 CECDRP C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1CC[NH3+] ZINC000723906473 802966775 /nfs/dbraw/zinc/96/67/75/802966775.db2.gz VMILBSWSUDEOFH-GHMZBOCLSA-N 2 0 268.788 2.462 20 10 CECDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001118122295 814986051 /nfs/dbraw/zinc/98/60/51/814986051.db2.gz STWSSBJNESLAFU-GTXQXIFRSA-N 2 0 258.365 2.056 20 10 CECDRP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000699664736 807791361 /nfs/dbraw/zinc/79/13/61/807791361.db2.gz JUGKGWGWIPXFFV-HIFRSBDPSA-N 2 0 261.413 2.230 20 10 CECDRP [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000708480837 809928310 /nfs/dbraw/zinc/92/83/10/809928310.db2.gz MMVBBCIELRXWNJ-STQMWFEESA-N 2 0 282.334 2.387 20 10 CECDRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC001118121959 810057127 /nfs/dbraw/zinc/05/71/27/810057127.db2.gz LVYOTVDDKSQZRT-ZDUSSCGKSA-N 2 0 295.402 2.052 20 10 CECDRP COc1cc(Cl)cc(CN(C)C2(C[NH3+])CCC2)c1O ZINC000385500626 813138436 /nfs/dbraw/zinc/13/84/36/813138436.db2.gz QFTZELACIZFSTQ-UHFFFAOYSA-N 2 0 284.787 2.367 20 10 CECDRP COc1cc(C[N@@H+]2CCC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139253141 815995019 /nfs/dbraw/zinc/99/50/19/815995019.db2.gz NDTNHXXAVYIFTO-LBPRGKRZSA-N 2 0 278.396 2.447 20 10 CECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC001139413123 816019289 /nfs/dbraw/zinc/01/92/89/816019289.db2.gz RUYPPZYWQBKFGH-FUHWJXTLSA-N 2 0 285.435 2.423 20 10 CECDRP Cc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001140623702 816307122 /nfs/dbraw/zinc/30/71/22/816307122.db2.gz QPYGNBIYYVDQIM-GDBMZVCRSA-N 2 0 260.381 2.084 20 10 CECDRP Cc1c(O)ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1O ZINC001206312080 816662759 /nfs/dbraw/zinc/66/27/59/816662759.db2.gz ZIVZMSXFCYWQHP-INIZCTEOSA-N 2 0 278.396 2.357 20 10 CECDRP CCOc1cccc(C[NH2+]CCCC[NH+](C)C)c1O ZINC000045663353 362163917 /nfs/dbraw/zinc/16/39/17/362163917.db2.gz LCQUADDYWIKZPV-UHFFFAOYSA-N 2 0 266.385 2.222 20 10 CECDRP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(F)c1[O-] ZINC000191181506 369688181 /nfs/dbraw/zinc/68/81/81/369688181.db2.gz GTTGTFSAYUBDTA-VIFPVBQESA-N 2 0 258.312 2.273 20 10 CECDRP Cc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c(O)c1C ZINC000273609166 373768805 /nfs/dbraw/zinc/76/88/05/373768805.db2.gz VGDNNWCFXMDJKU-AWEZNQCLSA-N 2 0 292.423 2.116 20 10 CECDRP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000293755512 395250836 /nfs/dbraw/zinc/25/08/36/395250836.db2.gz XFDQALNCKWZELT-KRWDZBQOSA-N 2 0 290.407 2.319 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000249384346 334332855 /nfs/dbraw/zinc/33/28/55/334332855.db2.gz XEGHISNCAZAXPC-CHWSQXEVSA-N 2 0 278.396 2.393 20 10 CECDRP COc1ccc(C[NH2+]CCCC[NH+](C)C)cc1C ZINC000045598305 524070641 /nfs/dbraw/zinc/07/06/41/524070641.db2.gz YGHAUEKLRAPXQW-UHFFFAOYSA-N 2 0 250.386 2.435 20 10 CECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663283 524763067 /nfs/dbraw/zinc/76/30/67/524763067.db2.gz LENRUUYLIRCGBG-GFCCVEGCSA-N 2 0 266.385 2.393 20 10 CECDRP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000071408007 525348521 /nfs/dbraw/zinc/34/85/21/525348521.db2.gz JZFQEROGUYNVEQ-CYBMUJFWSA-N 2 0 260.381 2.275 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051693668 624523289 /nfs/dbraw/zinc/52/32/89/624523289.db2.gz HAVGGDGJWVJCDZ-UNXYVOJBSA-N 2 0 264.369 2.321 20 10 CECDRP COc1cccc(O)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000725848913 625829653 /nfs/dbraw/zinc/82/96/53/625829653.db2.gz CRPCXGMQHIOVBM-CYBMUJFWSA-N 2 0 278.396 2.221 20 10 CECDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000925696355 628530792 /nfs/dbraw/zinc/53/07/92/628530792.db2.gz ZYPRJPIPYPKOIP-HUUCEWRRSA-N 2 0 261.413 2.307 20 10 CECDRP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)ccc1O ZINC000902469829 634686727 /nfs/dbraw/zinc/68/67/27/634686727.db2.gz RKVCOPRSLPMYJL-MWKLQFHZSA-N 2 0 250.317 2.075 20 10 CECDRP COc1cc(C)cc(C[NH2+]CC[C@H](C)[NH+](C)C)c1O ZINC000895290782 630083372 /nfs/dbraw/zinc/08/33/72/630083372.db2.gz UIDMWFRLXBTZHG-LBPRGKRZSA-N 2 0 266.385 2.139 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccccc2O)CCN1c1cc[nH+]cc1 ZINC000895558264 630248183 /nfs/dbraw/zinc/24/81/83/630248183.db2.gz UTKCJIRFPQVCRI-AWEZNQCLSA-N 2 0 283.375 2.498 20 10 CECDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(F)ccc1O ZINC000817969633 633811156 /nfs/dbraw/zinc/81/11/56/633811156.db2.gz FPDCXBWGTHHLSK-DLOVCJGASA-N 2 0 252.333 2.452 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)ccc1O ZINC000817970712 633814155 /nfs/dbraw/zinc/81/41/55/633814155.db2.gz CPXVZKNHNZINKO-JFGNBEQYSA-N 2 0 252.333 2.322 20 10 CECDRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1O ZINC000817974452 633818349 /nfs/dbraw/zinc/81/83/49/633818349.db2.gz MELCRDMYMBATBL-OAHLLOKOSA-N 2 0 292.423 2.449 20 10 CECDRP COCC1(C[NH2+][C@@H](C)c2ccccc2O)CC[NH2+]CC1 ZINC000817974699 633818369 /nfs/dbraw/zinc/81/83/69/633818369.db2.gz NTMLVSULYTUFRX-ZDUSSCGKSA-N 2 0 278.396 2.059 20 10 CECDRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1O)CC[NH2+]CC2 ZINC000818431358 633920722 /nfs/dbraw/zinc/92/07/22/633920722.db2.gz JTXZYJLALBWMRQ-ZDUSSCGKSA-N 2 0 260.381 2.356 20 10 CECDRP CCOc1ccc(C[NH+]2CCC([NH3+])(CC)CC2)c(O)c1 ZINC000903947452 635379176 /nfs/dbraw/zinc/37/91/76/635379176.db2.gz VAYSVWNFGRYVGK-UHFFFAOYSA-N 2 0 278.396 2.494 20 10 CECDRP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C[NH3+] ZINC000904410450 635616384 /nfs/dbraw/zinc/61/63/84/635616384.db2.gz DPPPMWRYUCEPPE-MNOVXSKESA-N 2 0 268.788 2.462 20 10 CECDRP COc1cccc(O)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000835063525 638044382 /nfs/dbraw/zinc/04/43/82/638044382.db2.gz ZRGPCTVLIDZIGE-UHFFFAOYSA-N 2 0 278.396 2.365 20 10 CECDRP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1O ZINC000841032628 639625335 /nfs/dbraw/zinc/62/53/35/639625335.db2.gz IHDCHRQJNVDTSE-LLVKDONJSA-N 2 0 268.788 2.443 20 10 CECDRP CCOc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1O ZINC000841055216 639634880 /nfs/dbraw/zinc/63/48/80/639634880.db2.gz MALFFMGZSUQANF-STQMWFEESA-N 2 0 264.369 2.150 20 10 CECDRP CCOCc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000841062079 639638454 /nfs/dbraw/zinc/63/84/54/639638454.db2.gz SKESUYVWEXOPMS-CJNGLKHVSA-N 2 0 292.423 2.462 20 10 CECDRP CC1([NH2+]Cc2cc(Cl)ccc2O)CC[NH2+]CC1 ZINC000841064816 639640814 /nfs/dbraw/zinc/64/08/14/639640814.db2.gz KUAWYMWXPPDOOF-UHFFFAOYSA-N 2 0 254.761 2.277 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000841078685 639647007 /nfs/dbraw/zinc/64/70/07/639647007.db2.gz IEUDDIJIPXKSAI-OAHLLOKOSA-N 2 0 276.380 2.023 20 10 CECDRP COc1cc(O)c(C[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000841079349 639648264 /nfs/dbraw/zinc/64/82/64/639648264.db2.gz KGRJQLMGNAPGAD-LLVKDONJSA-N 2 0 282.384 2.017 20 10 CECDRP CCOc1ccc(O)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000841091996 639654624 /nfs/dbraw/zinc/65/46/24/639654624.db2.gz JDENZNDUTHLZLA-UHFFFAOYSA-N 2 0 264.369 2.023 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089140413 640085508 /nfs/dbraw/zinc/08/55/08/640085508.db2.gz FYWWFQBIXFDRBJ-GOEBONIOSA-N 2 0 261.413 2.360 20 10 CECDRP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c(O)c1 ZINC000843053873 640256148 /nfs/dbraw/zinc/25/61/48/640256148.db2.gz VRRZMOWPNWPWHX-DOMZBBRYSA-N 2 0 278.396 2.350 20 10 CECDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052447 640256203 /nfs/dbraw/zinc/25/62/03/640256203.db2.gz UEPDNEDXDGHJQW-OCCSQVGLSA-N 2 0 279.403 2.451 20 10 CECDRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC000843054232 640257213 /nfs/dbraw/zinc/25/72/13/640257213.db2.gz STGXWVKEGUCXIY-AGUYFDCRSA-N 2 0 264.344 2.376 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000843059939 640263170 /nfs/dbraw/zinc/26/31/70/640263170.db2.gz VQTPVOWWXPWHGM-DZKIICNBSA-N 2 0 291.414 2.451 20 10 CECDRP CCOc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(O)c1 ZINC000843112658 640285215 /nfs/dbraw/zinc/28/52/15/640285215.db2.gz KWZXPBOXMGIWGZ-ZDUSSCGKSA-N 2 0 278.396 2.352 20 10 CECDRP COc1cccc(O)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000844904231 640861442 /nfs/dbraw/zinc/86/14/42/640861442.db2.gz FJILQFUNAYZTCX-UHFFFAOYSA-N 2 0 290.338 2.288 20 10 CECDRP CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(O)c1 ZINC000844911104 640864212 /nfs/dbraw/zinc/86/42/12/640864212.db2.gz KKAIUTYQRYXABT-UHFFFAOYSA-N 2 0 278.396 2.352 20 10 CECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848557664 642052354 /nfs/dbraw/zinc/05/23/54/642052354.db2.gz IZCSFWRAZMVJKS-RWMBFGLXSA-N 2 0 278.396 2.392 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccncc3)cc2)CC1 ZINC000107797389 642103140 /nfs/dbraw/zinc/10/31/40/642103140.db2.gz JHYJLQNPQJMXDW-UHFFFAOYSA-N 2 0 296.418 2.123 20 10 CECDRP CCc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1O ZINC000848894727 642176031 /nfs/dbraw/zinc/17/60/31/642176031.db2.gz NNIBAYJXBODDCN-UHFFFAOYSA-N 2 0 292.423 2.157 20 10 CECDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921547057 642228170 /nfs/dbraw/zinc/22/81/70/642228170.db2.gz KUTPMORIHLSWDF-OAHLLOKOSA-N 2 0 274.408 2.443 20 10 CECDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921547056 642228617 /nfs/dbraw/zinc/22/86/17/642228617.db2.gz KUTPMORIHLSWDF-HNNXBMFYSA-N 2 0 274.408 2.443 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCSC3)cc2)CC1 ZINC000771840939 642229155 /nfs/dbraw/zinc/22/91/55/642229155.db2.gz IGRWWJXINZNFME-HNNXBMFYSA-N 2 0 291.464 2.034 20 10 CECDRP COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000849350081 642340109 /nfs/dbraw/zinc/34/01/09/642340109.db2.gz JYLAFEXLORFWMK-ILXRZTDVSA-N 2 0 289.423 2.133 20 10 CECDRP Cc1cccc(O)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000877535411 650774096 /nfs/dbraw/zinc/77/40/96/650774096.db2.gz MKZZEPBQHGPZMA-UHFFFAOYSA-N 2 0 293.455 2.016 20 10 CECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@]34C[C@H]3CCC4)cc2)CC1 ZINC000923023162 643517574 /nfs/dbraw/zinc/51/75/74/643517574.db2.gz NEUKXNVYRLLFJX-SJLPKXTDSA-N 2 0 285.435 2.471 20 10 CECDRP CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745670 643530404 /nfs/dbraw/zinc/53/04/04/643530404.db2.gz ZNTFGXNVLDPJES-OAHLLOKOSA-N 2 0 290.407 2.125 20 10 CECDRP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000877742686 650887980 /nfs/dbraw/zinc/88/79/80/650887980.db2.gz QOTRPRPMKJLIRY-UKRRQHHQSA-N 2 0 260.381 2.227 20 10 CECDRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1O ZINC000877758285 650900013 /nfs/dbraw/zinc/90/00/13/650900013.db2.gz RBGDCPCICQDHPP-ZDUSSCGKSA-N 2 0 292.423 2.278 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000769473529 646275293 /nfs/dbraw/zinc/27/52/93/646275293.db2.gz OWWKYHMTGOXERM-AWEZNQCLSA-N 2 0 290.407 2.319 20 10 CECDRP Cc1cc(C)c([C@@H](C)[NH2+]CCOCCC[NH3+])c(O)c1 ZINC000863544953 646752816 /nfs/dbraw/zinc/75/28/16/646752816.db2.gz FYIDXLBLKZDTQT-CYBMUJFWSA-N 2 0 266.385 2.025 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000873217216 649593804 /nfs/dbraw/zinc/59/38/04/649593804.db2.gz KHLGWMIEGMKNRV-UKRRQHHQSA-N 2 0 261.413 2.088 20 10 CECDRP COc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1O ZINC000091844414 803389077 /nfs/dbraw/zinc/38/90/77/803389077.db2.gz BSOCLWBBQLTHST-UHFFFAOYSA-N 2 0 264.369 2.103 20 10 CECDRP CCOc1cccc(C[NH+]2CCC(F)(C[NH3+])CC2)c1O ZINC001222533447 803896457 /nfs/dbraw/zinc/89/64/57/803896457.db2.gz ZLTTUUKHEARNCL-UHFFFAOYSA-N 2 0 282.359 2.054 20 10 CECDRP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140953575 816424446 /nfs/dbraw/zinc/42/44/46/816424446.db2.gz CFGLWNWTLZQMLL-HOTGVXAUSA-N 2 0 274.408 2.474 20 10 CECDRP COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290626964 344684544 /nfs/dbraw/zinc/68/45/44/344684544.db2.gz XOWGWACDBOMLPG-IUODEOHRSA-N 2 0 278.396 2.173 20 10 CECDRP COc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1O ZINC000375469501 374659590 /nfs/dbraw/zinc/65/95/90/374659590.db2.gz ANQCGILMXPLVLX-UHFFFAOYSA-N 2 0 290.407 2.461 20 10 CECDRP Oc1cccc2c1[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000296211351 378455197 /nfs/dbraw/zinc/45/51/97/378455197.db2.gz ZLAMYCIDIHUBET-CQSZACIVSA-N 2 0 260.381 2.455 20 10 CECDRP Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c(O)c1 ZINC000294841726 224517246 /nfs/dbraw/zinc/51/72/46/224517246.db2.gz RXPWBLUIUNFDSF-CQSZACIVSA-N 2 0 292.423 2.116 20 10 CECDRP C[NH+]1CCC(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000105454200 394721729 /nfs/dbraw/zinc/72/17/29/394721729.db2.gz LJQVOGYBIIWYIS-UHFFFAOYSA-N 2 0 274.408 2.443 20 10 CECDRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1O ZINC000155687993 261105946 /nfs/dbraw/zinc/10/59/46/261105946.db2.gz LEBVTBTZWHBWSI-GDBMZVCRSA-N 2 0 291.439 2.069 20 10 CECDRP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179630672 261804393 /nfs/dbraw/zinc/80/43/93/261804393.db2.gz LYPXFPAXZXZBBF-HNNXBMFYSA-N 2 0 261.413 2.136 20 10 CECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290611149 263117934 /nfs/dbraw/zinc/11/79/34/263117934.db2.gz WPKIGHQENSOUCS-CJNGLKHVSA-N 2 0 290.407 2.317 20 10 CECDRP CC[NH+](CC)CCC[NH2+]Cc1cc(F)ccc1O ZINC000083399567 520622143 /nfs/dbraw/zinc/62/21/43/520622143.db2.gz BXSKDMXWHLGCJE-UHFFFAOYSA-N 2 0 254.349 2.353 20 10 CECDRP CCOc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000292781232 521344609 /nfs/dbraw/zinc/34/46/09/521344609.db2.gz LKSCHSQOEVRPJK-QGZVFWFLSA-N 2 0 290.407 2.319 20 10 CECDRP Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000300417247 622878034 /nfs/dbraw/zinc/87/80/34/622878034.db2.gz NPPRPOHLZYJXQS-SWLSCSKDSA-N 2 0 278.371 2.495 20 10 CECDRP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1C ZINC000310793636 627283792 /nfs/dbraw/zinc/28/37/92/627283792.db2.gz VLOGCVBBROOUII-GFCCVEGCSA-N 2 0 250.386 2.291 20 10 CECDRP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000796526921 629924660 /nfs/dbraw/zinc/92/46/60/629924660.db2.gz SHDBCHKSKZFBRJ-YOEHRIQHSA-N 2 0 273.424 2.327 20 10 CECDRP CN(C)c1ccc(/C=C/CNC[C@H]2CCCC[NH2+]2)cc1 ZINC000841033267 631821683 /nfs/dbraw/zinc/82/16/83/631821683.db2.gz MGTODXOFZSMLME-SQRWCISFSA-N 2 0 273.424 2.498 20 10 CECDRP Cc1cc(Br)cc(C[NH2+]C[C@H](C)C[NH3+])c1O ZINC000841048483 632351747 /nfs/dbraw/zinc/35/17/47/632351747.db2.gz JFYVOBJXHZJDCJ-MRVPVSSYSA-N 2 0 287.201 2.148 20 10 CECDRP CCO[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)CN(C)C ZINC000926959239 632386247 /nfs/dbraw/zinc/38/62/47/632386247.db2.gz AOUJNJBYVSBQHB-PBHICJAKSA-N 2 0 293.455 2.370 20 10 CECDRP CCN(CC)c1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000817890050 633752750 /nfs/dbraw/zinc/75/27/50/633752750.db2.gz WHKIFQLLQCRDDY-ZDUSSCGKSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817953863 633797600 /nfs/dbraw/zinc/79/76/00/633797600.db2.gz VKVUAVCSXLWIKM-QXEWZRGKSA-N 2 0 252.333 2.407 20 10 CECDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817959509 633800846 /nfs/dbraw/zinc/80/08/46/633800846.db2.gz GTXDJKTUGNJDAL-IHRRRGAJSA-N 2 0 260.381 2.487 20 10 CECDRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817964600 633805739 /nfs/dbraw/zinc/80/57/39/633805739.db2.gz CXYNRHJLEJOMJR-LLVKDONJSA-N 2 0 260.381 2.141 20 10 CECDRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)ccc1O ZINC000817968453 633811103 /nfs/dbraw/zinc/81/11/03/633811103.db2.gz JNYDPBIILHZMTD-JQWIXIFHSA-N 2 0 252.333 2.324 20 10 CECDRP COCC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CC[NH2+]CC1 ZINC000817975291 633818256 /nfs/dbraw/zinc/81/82/56/633818256.db2.gz STNNAKCYPJFJDR-GFCCVEGCSA-N 2 0 296.386 2.198 20 10 CECDRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817977259 633819899 /nfs/dbraw/zinc/81/98/99/633819899.db2.gz FSKZVCVYUOPYIY-REIXXSIJSA-N 2 0 252.333 2.405 20 10 CECDRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817978838 633822132 /nfs/dbraw/zinc/82/21/32/633822132.db2.gz FPKDJJPKDNVBRJ-WCABBAIRSA-N 2 0 252.333 2.407 20 10 CECDRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)ccc1O ZINC000817982238 633825286 /nfs/dbraw/zinc/82/52/86/633825286.db2.gz PRJCKKCOFDHBSZ-UMNHJUIQSA-N 2 0 252.333 2.309 20 10 CECDRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)ccc1O ZINC000817984612 633827534 /nfs/dbraw/zinc/82/75/34/633827534.db2.gz VUQAIVHXSFIGJC-JTQLQIEISA-N 2 0 252.333 2.324 20 10 CECDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1O ZINC000817987070 633828853 /nfs/dbraw/zinc/82/88/53/633828853.db2.gz PSMWJLOSEOHKEF-IGQOVBAYSA-N 2 0 260.381 2.431 20 10 CECDRP COc1cccc(O)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818431221 633920944 /nfs/dbraw/zinc/92/09/44/633920944.db2.gz HBBUOELCRMBDBT-CYBMUJFWSA-N 2 0 290.407 2.365 20 10 CECDRP [NH3+]Cc1ccc2c(c1)CCCN2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873858 635321569 /nfs/dbraw/zinc/32/15/69/635321569.db2.gz MUYBPQHDTBRNPB-ZXFUBFMLSA-N 2 0 285.435 2.429 20 10 CECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967477 635401159 /nfs/dbraw/zinc/40/11/59/635401159.db2.gz JTOKIEHVAVJKCQ-HIFRSBDPSA-N 2 0 261.413 2.006 20 10 CECDRP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C[NH3+] ZINC000904410449 635616472 /nfs/dbraw/zinc/61/64/72/635616472.db2.gz DPPPMWRYUCEPPE-GHMZBOCLSA-N 2 0 268.788 2.462 20 10 CECDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1C[NH3+] ZINC000904411251 635619473 /nfs/dbraw/zinc/61/94/73/635619473.db2.gz KHKHNXBBPRGXFQ-ZFWWWQNUSA-N 2 0 261.413 2.169 20 10 CECDRP CCOc1ccc(O)c(C[NH2+][C@@H](CN)C2CCCC2)c1 ZINC000841085615 637366516 /nfs/dbraw/zinc/36/65/16/637366516.db2.gz AACMKWOTOASZAK-HNNXBMFYSA-N 2 0 278.396 2.398 20 10 CECDRP C[NH2+]CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841043613 639631356 /nfs/dbraw/zinc/63/13/56/639631356.db2.gz XXFZZCPMKMQKQF-UHFFFAOYSA-N 2 0 261.413 2.376 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000841056963 639634190 /nfs/dbraw/zinc/63/41/90/639634190.db2.gz GHHHPHFILQXGPU-STQMWFEESA-N 2 0 265.376 2.251 20 10 CECDRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000841056956 639634358 /nfs/dbraw/zinc/63/43/58/639634358.db2.gz GHHHPHFILQXGPU-CHWSQXEVSA-N 2 0 265.376 2.251 20 10 CECDRP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1O ZINC000841055213 639634377 /nfs/dbraw/zinc/63/43/77/639634377.db2.gz MALFFMGZSUQANF-CHWSQXEVSA-N 2 0 264.369 2.150 20 10 CECDRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(O)c1 ZINC000841054622 639634660 /nfs/dbraw/zinc/63/46/60/639634660.db2.gz FVRRXICRXYJECQ-CHWSQXEVSA-N 2 0 264.369 2.150 20 10 CECDRP c1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000841073711 639644700 /nfs/dbraw/zinc/64/47/00/639644700.db2.gz WHWQFZYITYBBIF-HNNXBMFYSA-N 2 0 260.381 2.243 20 10 CECDRP CN(C)c1ccc(/C=C\C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000841091508 639654920 /nfs/dbraw/zinc/65/49/20/639654920.db2.gz ZLVJJCQBVMFZFW-HYXAFXHYSA-N 2 0 273.424 2.498 20 10 CECDRP COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000229104870 639676500 /nfs/dbraw/zinc/67/65/00/639676500.db2.gz YXTZWIZYEUZUPF-VHSXEESVSA-N 2 0 284.787 2.223 20 10 CECDRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843044974 640250187 /nfs/dbraw/zinc/25/01/87/640250187.db2.gz OGTCXMMATJMVLX-HNNXBMFYSA-N 2 0 275.440 2.492 20 10 CECDRP CCOc1ccc(O)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000843052499 640256230 /nfs/dbraw/zinc/25/62/30/640256230.db2.gz MRQCVMJBAGHNST-GFCCVEGCSA-N 2 0 278.396 2.350 20 10 CECDRP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843057382 640260149 /nfs/dbraw/zinc/26/01/49/640260149.db2.gz JSRZCHFPANMWJY-ZFWWWQNUSA-N 2 0 261.413 2.230 20 10 CECDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000843058701 640261741 /nfs/dbraw/zinc/26/17/41/640261741.db2.gz WHAMBXSFODACND-SBAHZNLJSA-N 2 0 273.424 2.435 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000843120883 640289239 /nfs/dbraw/zinc/28/92/39/640289239.db2.gz XGPUQCKGKVIECD-INIZCTEOSA-N 2 0 260.381 2.194 20 10 CECDRP CN(C)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000843126279 640292969 /nfs/dbraw/zinc/29/29/69/640292969.db2.gz HOWWVSJEBWSMTG-UHFFFAOYSA-N 2 0 273.424 2.328 20 10 CECDRP Cc1cc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000843126039 640293385 /nfs/dbraw/zinc/29/33/85/640293385.db2.gz FEZDFWKHXGCKMT-UKRRQHHQSA-N 2 0 260.381 2.193 20 10 CECDRP CCO[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)C[C@H]1C[NH3+] ZINC000844903942 640861436 /nfs/dbraw/zinc/86/14/36/640861436.db2.gz SLISRXVNWMLJPL-IAQYHMDHSA-N 2 0 298.814 2.150 20 10 CECDRP CCOCc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1OC ZINC000844902936 640861546 /nfs/dbraw/zinc/86/15/46/640861546.db2.gz YEQOHCAAFGQCIF-UHFFFAOYSA-N 2 0 292.423 2.450 20 10 CECDRP COc1cccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1O ZINC000846142348 641199589 /nfs/dbraw/zinc/19/95/89/641199589.db2.gz RROJXYKURJRRJR-NWDGAFQWSA-N 2 0 266.385 2.392 20 10 CECDRP COc1cccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1O ZINC000846170242 641211698 /nfs/dbraw/zinc/21/16/98/641211698.db2.gz MVPDPCQLGCXWCC-NEPJUHHUSA-N 2 0 266.385 2.249 20 10 CECDRP [NH3+]Cc1ccc2c(c1)CCCN2CCC[NH2+]C1CC1 ZINC000923287109 643641009 /nfs/dbraw/zinc/64/10/09/643641009.db2.gz RCRXCXUDBLWQNL-UHFFFAOYSA-N 2 0 259.397 2.040 20 10 CECDRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1N(C)C ZINC000923358687 643677321 /nfs/dbraw/zinc/67/73/21/643677321.db2.gz KNZWGMMFQFLJTA-CVEARBPZSA-N 2 0 273.424 2.245 20 10 CECDRP CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(O)c1 ZINC000853247324 643721013 /nfs/dbraw/zinc/72/10/13/643721013.db2.gz LVKQMYPCEOHDFN-CQSZACIVSA-N 2 0 266.385 2.254 20 10 CECDRP COc1ccc(O)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000839182816 644182204 /nfs/dbraw/zinc/18/22/04/644182204.db2.gz PWFZXDQONMZANR-ZDUSSCGKSA-N 2 0 278.396 2.222 20 10 CECDRP c1cc(N2CCCCC2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000770394824 646386920 /nfs/dbraw/zinc/38/69/20/646386920.db2.gz NKMCEEORHNQQLP-IAGOWNOFSA-N 2 0 285.435 2.328 20 10 CECDRP Cc1cc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c(O)c1 ZINC000863541407 646750928 /nfs/dbraw/zinc/75/09/28/646750928.db2.gz LRPFLRJGYNLXDL-CYBMUJFWSA-N 2 0 278.396 2.168 20 10 CECDRP C[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC000873219826 649594872 /nfs/dbraw/zinc/59/48/72/649594872.db2.gz AALMKXRYRBNIOX-SNVBAGLBSA-N 2 0 252.333 2.009 20 10 CECDRP