smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206641574 962333243 /nfs/dbraw/zinc/33/32/43/962333243.db2.gz YZQOQGAWBCBUSF-CYBMUJFWSA-N 2 0 233.359 1.830 20 10 BDCDRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(O)c1 ZINC001205041202 967304508 /nfs/dbraw/zinc/30/45/08/967304508.db2.gz PISKYVZOEQCCTH-UHFFFAOYSA-N 2 0 234.343 1.871 20 10 BDCDRP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001205917517 967884015 /nfs/dbraw/zinc/88/40/15/967884015.db2.gz ZPSVWAHVZXVTRF-DGCLKSJQSA-N 2 0 233.359 1.828 20 10 BDCDRP CC[C@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001336286196 977613563 /nfs/dbraw/zinc/61/35/63/977613563.db2.gz OLRAFEYBVLLPBU-JSGCOSHPSA-N 2 0 233.359 1.828 20 10 BDCDRP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235991339 979278385 /nfs/dbraw/zinc/27/83/85/979278385.db2.gz LLSZNTFLXKXEBW-SWLSCSKDSA-N 2 0 246.354 1.932 20 10 BDCDRP CCN(Cc1ccc(N(C)C)cc1)C[C@@H](C)[NH3+] ZINC001236280176 979481092 /nfs/dbraw/zinc/48/10/92/979481092.db2.gz UQAVCRXKFOOPOL-GFCCVEGCSA-N 2 0 235.375 1.922 20 10 BDCDRP Nc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC001352788135 982577708 /nfs/dbraw/zinc/57/77/08/982577708.db2.gz DBEWNIAXPIFPQA-OCCSQVGLSA-N 2 0 233.359 1.876 20 10 BDCDRP CCCC[C@H](CN)[NH2+]Cc1ccc(N)cc1 ZINC001352790088 982579838 /nfs/dbraw/zinc/57/98/38/982579838.db2.gz OJPUTUXKBCYLOT-CYBMUJFWSA-N 2 0 221.348 1.876 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001336286500 994998888 /nfs/dbraw/zinc/99/88/88/994998888.db2.gz QZZQPUFJFLKQLD-GXTWGEPZSA-N 2 0 231.343 1.453 20 10 BDCDRP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1O ZINC000226588596 386341729 /nfs/dbraw/zinc/34/17/29/386341729.db2.gz PNRNHKHQDXNWTK-SNVBAGLBSA-N 2 0 240.322 1.961 20 10 BDCDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000216058697 583169269 /nfs/dbraw/zinc/16/92/69/583169269.db2.gz JZIPFPQVEOOPHS-GXTWGEPZSA-N 2 0 247.386 1.922 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817963908 584992778 /nfs/dbraw/zinc/99/27/78/584992778.db2.gz YBKNCGLKGQRWFR-ONGXEEELSA-N 2 0 220.316 1.564 20 10 BDCDRP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1O ZINC000817964729 586854150 /nfs/dbraw/zinc/85/41/50/586854150.db2.gz GJAJFKWPQPJNHI-SKDRFNHKSA-N 2 0 220.316 1.780 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817970468 586857309 /nfs/dbraw/zinc/85/73/09/586857309.db2.gz WJACFWVYUHCUSC-RAIGVLPGSA-N 2 0 246.354 1.967 20 10 BDCDRP C[NH2+]CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841041916 587938760 /nfs/dbraw/zinc/93/87/60/587938760.db2.gz KDHVRDZDSWWZKV-GQCTYLIASA-N 2 0 247.386 1.965 20 10 BDCDRP COc1ccc(O)c(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000841048325 587939207 /nfs/dbraw/zinc/93/92/07/587939207.db2.gz HJXSOXWEKGXZCJ-SECBINFHSA-N 2 0 224.304 1.085 20 10 BDCDRP CCOc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1O ZINC000841049209 587939638 /nfs/dbraw/zinc/93/96/38/587939638.db2.gz OCTWTHFJTCBRPQ-SNVBAGLBSA-N 2 0 238.331 1.475 20 10 BDCDRP COc1cccc(C[NH2+][C@H](C)CC[NH3+])c1O ZINC000841050993 587939752 /nfs/dbraw/zinc/93/97/52/587939752.db2.gz MFACBJSNIOFSLA-SECBINFHSA-N 2 0 224.304 1.228 20 10 BDCDRP [O-]c1c(F)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057115 587940849 /nfs/dbraw/zinc/94/08/49/587940849.db2.gz IIWGIKRDQRQXJH-LLVKDONJSA-N 2 0 238.306 1.763 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000841061405 587942051 /nfs/dbraw/zinc/94/20/51/587942051.db2.gz IHTIKOBEDZSVDH-YPMHNXCESA-N 2 0 234.343 1.931 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841079112 587944722 /nfs/dbraw/zinc/94/47/22/587944722.db2.gz YOWSSFFFZDFMEK-GDNZZTSVSA-N 2 0 218.300 1.008 20 10 BDCDRP COc1cccc(O)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000841079564 587945199 /nfs/dbraw/zinc/94/51/99/587945199.db2.gz JUNMWPGKIISIRT-JTQLQIEISA-N 2 0 238.331 1.618 20 10 BDCDRP Nc1ccc(CC[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000843125863 588084212 /nfs/dbraw/zinc/08/42/12/588084212.db2.gz JXNSKHWKVODCDI-UHFFFAOYSA-N 2 0 233.359 1.401 20 10 BDCDRP COc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1O ZINC000843129819 588085456 /nfs/dbraw/zinc/08/54/56/588085456.db2.gz RPBWINLHBNCPQD-NXEZZACHSA-N 2 0 238.331 1.616 20 10 BDCDRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccccc1O ZINC000863543597 589297429 /nfs/dbraw/zinc/29/74/29/589297429.db2.gz RYFOBEIRKWXDQX-LLVKDONJSA-N 2 0 238.331 1.279 20 10 BDCDRP CCN(CC[NH3+])Cc1ccc(N(C)C)c(F)c1 ZINC000863645402 589306999 /nfs/dbraw/zinc/30/69/99/589306999.db2.gz VSHHLODOUUABNL-UHFFFAOYSA-N 2 0 239.338 1.672 20 10 BDCDRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2O)C1 ZINC000309411902 633915047 /nfs/dbraw/zinc/91/50/47/633915047.db2.gz IZKPWVZLCZBCAW-CYBMUJFWSA-N 2 0 220.316 1.563 20 10 BDCDRP c1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000258929507 635224717 /nfs/dbraw/zinc/22/47/17/635224717.db2.gz GYJKCEAVHQGCKH-GFCCVEGCSA-N 2 0 246.354 1.711 20 10 BDCDRP CCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1O ZINC000906508339 638179661 /nfs/dbraw/zinc/17/96/61/638179661.db2.gz NMTRHOPBYVWACR-XYPYZODXSA-N 2 0 236.315 1.370 20 10 BDCDRP [NH3+]C1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000906509283 638182198 /nfs/dbraw/zinc/18/21/98/638182198.db2.gz FLLLINRNVSXBRS-UHFFFAOYSA-N 2 0 226.707 1.625 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227054736 640811293 /nfs/dbraw/zinc/81/12/93/640811293.db2.gz OAVBSIDBEVAXJY-AAEUAGOBSA-N 2 0 234.343 1.870 20 10 BDCDRP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000050245124 643657063 /nfs/dbraw/zinc/65/70/63/643657063.db2.gz SQZWEWHZIIVYDR-SECBINFHSA-N 2 0 240.734 1.826 20 10 BDCDRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923281780 644314773 /nfs/dbraw/zinc/31/47/73/644314773.db2.gz PMUYARIXZLTDFP-CQSZACIVSA-N 2 0 247.386 1.842 20 10 BDCDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1O ZINC000220338152 645889854 /nfs/dbraw/zinc/88/98/54/645889854.db2.gz XHYBWYSVKBHVCD-UWVGGRQHSA-N 2 0 238.306 1.700 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000925786863 646483101 /nfs/dbraw/zinc/48/31/01/646483101.db2.gz WGUKNHRUZVHFKS-WXHSDQCUSA-N 2 0 246.354 1.825 20 10 BDCDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1O ZINC000925790901 646485337 /nfs/dbraw/zinc/48/53/37/646485337.db2.gz MUFFJKZKGOIAQZ-UTUOFQBUSA-N 2 0 234.343 1.898 20 10 BDCDRP Cc1ccc(O)c(C[N@H+](C)CCC[NH3+])c1 ZINC000227743186 711832754 /nfs/dbraw/zinc/83/27/54/711832754.db2.gz SJHZCBDDOXGMQK-UHFFFAOYSA-N 2 0 208.305 1.481 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000386108815 711022512 /nfs/dbraw/zinc/02/25/12/711022512.db2.gz LCDURRBYRSSPMM-DOMZBBRYSA-N 2 0 247.386 1.840 20 10 BDCDRP CC(C)([NH3+])CC[NH2+]Cc1ccccc1O ZINC000379849046 712616868 /nfs/dbraw/zinc/61/68/68/712616868.db2.gz INGKFPLWMANLKI-UHFFFAOYSA-N 2 0 208.305 1.609 20 10 BDCDRP CNc1ccccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170904251 972077972 /nfs/dbraw/zinc/07/79/72/972077972.db2.gz MMQZZQRHDYPARK-NSHDSACASA-N 2 0 208.309 1.164 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CC[NH2+]1 ZINC001246237733 972245158 /nfs/dbraw/zinc/24/51/58/972245158.db2.gz BXBKDTABZVPVBT-GXSJLCMTSA-N 2 0 236.315 1.328 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000692161746 966769508 /nfs/dbraw/zinc/76/95/08/966769508.db2.gz QPMROOJYOUYADP-TZMCWYRMSA-N 2 0 247.386 1.983 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000692161744 966770923 /nfs/dbraw/zinc/77/09/23/966770923.db2.gz QPMROOJYOUYADP-OCCSQVGLSA-N 2 0 247.386 1.983 20 10 BDCDRP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2O)CC[C@H]1F ZINC001206154035 974318464 /nfs/dbraw/zinc/31/84/64/974318464.db2.gz GLRFEOSAXRILHI-VXGBXAGGSA-N 2 0 238.306 1.653 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@H]1C[NH3+] ZINC001334754226 976624947 /nfs/dbraw/zinc/62/49/47/976624947.db2.gz MJRGRGSUSSCFKR-YPMHNXCESA-N 2 0 233.359 1.686 20 10 BDCDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774815 976642762 /nfs/dbraw/zinc/64/27/62/976642762.db2.gz OXZWRQCUCPYWFC-YPMHNXCESA-N 2 0 233.359 1.828 20 10 BDCDRP Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC001352788134 982576466 /nfs/dbraw/zinc/57/64/66/982576466.db2.gz DBEWNIAXPIFPQA-JSGCOSHPSA-N 2 0 233.359 1.876 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000692161735 985637860 /nfs/dbraw/zinc/63/78/60/985637860.db2.gz QPMROOJYOUYADP-GXTWGEPZSA-N 2 0 247.386 1.983 20 10 BDCDRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(O)c1 ZINC001579696844 986181102 /nfs/dbraw/zinc/18/11/02/986181102.db2.gz IXJCAONCNZXVGJ-WDEREUQCSA-N 2 0 222.332 1.916 20 10 BDCDRP C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000699704006 987381422 /nfs/dbraw/zinc/38/14/22/987381422.db2.gz YUORTUJPCBFGQL-NEPJUHHUSA-N 2 0 234.343 1.870 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001325625394 989221766 /nfs/dbraw/zinc/22/17/66/989221766.db2.gz JZNPWNBSMWUIEQ-NSHDSACASA-N 2 0 234.343 1.709 20 10 BDCDRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N)cc1 ZINC001120268395 989621722 /nfs/dbraw/zinc/62/17/22/989621722.db2.gz DHIPQJVDIYXVOU-GWCFXTLKSA-N 2 0 219.332 1.580 20 10 BDCDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000071142079 173370582 /nfs/dbraw/zinc/37/05/82/173370582.db2.gz FDAVQGSQLYYLQZ-AWEZNQCLSA-N 2 0 247.386 1.794 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000841037798 584081748 /nfs/dbraw/zinc/08/17/48/584081748.db2.gz XQRPCSDYQHTMAA-GFCCVEGCSA-N 2 0 234.343 1.790 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000841048927 584124107 /nfs/dbraw/zinc/12/41/07/584124107.db2.gz GWACTEOHJBZDMK-GFCCVEGCSA-N 2 0 220.316 1.528 20 10 BDCDRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841055522 584125661 /nfs/dbraw/zinc/12/56/61/584125661.db2.gz PCMNUMAKAJSOSP-KGLIPLIRSA-N 2 0 246.354 1.981 20 10 BDCDRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841055523 584125971 /nfs/dbraw/zinc/12/59/71/584125971.db2.gz PCMNUMAKAJSOSP-UONOGXRCSA-N 2 0 246.354 1.981 20 10 BDCDRP Cc1ccc(O)c([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902408160 584574581 /nfs/dbraw/zinc/57/45/81/584574581.db2.gz XHPHONPOFUZVBG-JTQLQIEISA-N 2 0 220.316 1.843 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902407835 584575014 /nfs/dbraw/zinc/57/50/14/584575014.db2.gz VZBBZOTZZDNNTM-VIFPVBQESA-N 2 0 236.315 1.543 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817962960 584992808 /nfs/dbraw/zinc/99/28/08/584992808.db2.gz PSYGJIQEARGIKX-RYUDHWBXSA-N 2 0 235.375 1.998 20 10 BDCDRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817937526 586843879 /nfs/dbraw/zinc/84/38/79/586843879.db2.gz XHVOKUADSBDDCM-SECBINFHSA-N 2 0 238.306 1.934 20 10 BDCDRP C[NH2+]CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817940896 586844920 /nfs/dbraw/zinc/84/49/20/586844920.db2.gz OWNRVRBFVIRVQB-SNVBAGLBSA-N 2 0 238.331 1.661 20 10 BDCDRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000817940391 586844985 /nfs/dbraw/zinc/84/49/85/586844985.db2.gz MHLJUZLYOGWMBC-NSHDSACASA-N 2 0 222.332 1.961 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[N@@H+]1C ZINC000817956275 586849649 /nfs/dbraw/zinc/84/96/49/586849649.db2.gz VNRNFJXPDVJFOF-WFASDCNBSA-N 2 0 247.386 1.884 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817958163 586850506 /nfs/dbraw/zinc/85/05/06/586850506.db2.gz SQJQIEPUJHZVRD-DZGCQCFKSA-N 2 0 247.386 1.918 20 10 BDCDRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(C)cc1O ZINC000817964947 586853808 /nfs/dbraw/zinc/85/38/08/586853808.db2.gz KLJDHENJVYEQOO-ZDUSSCGKSA-N 2 0 234.343 1.961 20 10 BDCDRP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1O ZINC000817964728 586854192 /nfs/dbraw/zinc/85/41/92/586854192.db2.gz GJAJFKWPQPJNHI-JOYOIKCWSA-N 2 0 220.316 1.780 20 10 BDCDRP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817971823 586859793 /nfs/dbraw/zinc/85/97/93/586859793.db2.gz HJPICKYIAZJNQD-WCBMZHEXSA-N 2 0 206.289 1.316 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000841028846 587936476 /nfs/dbraw/zinc/93/64/76/587936476.db2.gz IRVHKVMZHXTWIN-GFCCVEGCSA-N 2 0 222.332 1.774 20 10 BDCDRP C[NH2+]CCNC/C=C\c1ccc(N(C)C)cc1 ZINC000841034603 587937312 /nfs/dbraw/zinc/93/73/12/587937312.db2.gz APZPGRQTPNNAGL-PLNGDYQASA-N 2 0 233.359 1.575 20 10 BDCDRP COc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1O ZINC000841048533 587939290 /nfs/dbraw/zinc/93/92/90/587939290.db2.gz JYPUNIMBHXISPA-SECBINFHSA-N 2 0 224.304 1.085 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000841051402 587939760 /nfs/dbraw/zinc/93/97/60/587939760.db2.gz OKGNPHDKSNQBRV-JTQLQIEISA-N 2 0 208.305 1.528 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1O ZINC000841050779 587940067 /nfs/dbraw/zinc/94/00/67/587940067.db2.gz UDEPHFAEERMYHW-GFCCVEGCSA-N 2 0 220.316 1.528 20 10 BDCDRP Cc1cc(Cl)cc(CN[C@H](C)C[NH3+])c1O ZINC000841059306 587940834 /nfs/dbraw/zinc/94/08/34/587940834.db2.gz ALTLRGJZBWNQTK-MRVPVSSYSA-N 2 0 228.723 1.791 20 10 BDCDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841064837 587941692 /nfs/dbraw/zinc/94/16/92/587941692.db2.gz VBXQWEFJYCLMGO-CABZTGNLSA-N 2 0 238.306 1.619 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000841064479 587941786 /nfs/dbraw/zinc/94/17/86/587941786.db2.gz RBRFBUOKNYBATM-DGCLKSJQSA-N 2 0 234.343 1.788 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1C ZINC000841076217 587944055 /nfs/dbraw/zinc/94/40/55/587944055.db2.gz CFHDZYPTDWVHOG-WDEREUQCSA-N 2 0 222.332 1.834 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1C ZINC000841076215 587944153 /nfs/dbraw/zinc/94/41/53/587944153.db2.gz CFHDZYPTDWVHOG-MNOVXSKESA-N 2 0 222.332 1.834 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1O ZINC000841084091 587945559 /nfs/dbraw/zinc/94/55/59/587945559.db2.gz FZVVQSXDDKLBTG-WCQYABFASA-N 2 0 234.343 1.918 20 10 BDCDRP COc1cccc(O)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843048501 588076589 /nfs/dbraw/zinc/07/65/89/588076589.db2.gz CNJYAOGHLAIKCU-SNVBAGLBSA-N 2 0 236.315 1.181 20 10 BDCDRP C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[NH2+]C1 ZINC000843357326 588103645 /nfs/dbraw/zinc/10/36/45/588103645.db2.gz INUPKRWIXVXEFO-LLVKDONJSA-N 2 0 220.316 1.434 20 10 BDCDRP COc1ccc(N(C)CCN(C)CC[NH3+])cc1 ZINC000846225304 588261668 /nfs/dbraw/zinc/26/16/68/588261668.db2.gz LFSCQQCXROSLLG-UHFFFAOYSA-N 2 0 237.347 1.022 20 10 BDCDRP Cc1cccc(CN(C)C[C@H](C)[NH3+])c1O ZINC000863651447 589306994 /nfs/dbraw/zinc/30/69/94/589306994.db2.gz JBBABRCXAWJANJ-JTQLQIEISA-N 2 0 208.305 1.480 20 10 BDCDRP Nc1ccc(CC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000873211254 589996422 /nfs/dbraw/zinc/99/64/22/589996422.db2.gz WZTGVNNCQRHRLK-UHFFFAOYSA-N 2 0 231.343 1.153 20 10 BDCDRP Cc1ccc(O)c(CN(C)C[C@H](C)[NH3+])c1 ZINC000309054495 632630975 /nfs/dbraw/zinc/63/09/75/632630975.db2.gz SCFWGULZULCIJU-JTQLQIEISA-N 2 0 208.305 1.480 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1O ZINC000309423766 633053107 /nfs/dbraw/zinc/05/31/07/633053107.db2.gz WXLMLPULJYDTMC-ZYHUDNBSSA-N 2 0 220.316 1.480 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000310372970 634133932 /nfs/dbraw/zinc/13/39/32/634133932.db2.gz OMRUSHXUWQPLOD-CQSZACIVSA-N 2 0 234.343 1.871 20 10 BDCDRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(F)ccc1O ZINC000220334554 635304815 /nfs/dbraw/zinc/30/48/15/635304815.db2.gz FZIMEWAYARIGJQ-JOYOIKCWSA-N 2 0 238.306 1.843 20 10 BDCDRP Cc1ccc(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320542 644588913 /nfs/dbraw/zinc/58/89/13/644588913.db2.gz GDBKXUGGVFMKMQ-BETUJISGSA-N 2 0 232.327 1.352 20 10 BDCDRP C[N@H+](Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001336117492 977516138 /nfs/dbraw/zinc/51/61/38/977516138.db2.gz NWEFYVQUISYJNU-UHFFFAOYSA-N 2 0 219.332 1.453 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC[NH2+]1 ZINC001246237735 972244177 /nfs/dbraw/zinc/24/41/77/972244177.db2.gz BXBKDTABZVPVBT-KOLCDFICSA-N 2 0 236.315 1.328 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206641575 962328001 /nfs/dbraw/zinc/32/80/01/962328001.db2.gz YZQOQGAWBCBUSF-ZDUSSCGKSA-N 2 0 233.359 1.830 20 10 BDCDRP Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235991076 966206511 /nfs/dbraw/zinc/20/65/11/966206511.db2.gz NYJHRYPOFMSKBR-SMDDNHRTSA-N 2 0 232.327 1.624 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC001331420369 974712419 /nfs/dbraw/zinc/71/24/19/974712419.db2.gz WWENSANGUXGZBQ-SECBINFHSA-N 2 0 242.750 1.991 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC001335285334 976924595 /nfs/dbraw/zinc/92/45/95/976924595.db2.gz NPOJPRKLPHKIQG-LBPRGKRZSA-N 2 0 219.332 1.440 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001337838752 978524438 /nfs/dbraw/zinc/52/44/38/978524438.db2.gz SEZYKNSJYOQVPX-PWSUYJOCSA-N 2 0 219.332 1.214 20 10 BDCDRP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235991337 979276714 /nfs/dbraw/zinc/27/67/14/979276714.db2.gz LLSZNTFLXKXEBW-DOMZBBRYSA-N 2 0 246.354 1.932 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1c(O)cccc1OC ZINC001345100991 980548290 /nfs/dbraw/zinc/54/82/90/980548290.db2.gz YFZODANSUVBAFD-JTQLQIEISA-N 2 0 238.331 1.488 20 10 BDCDRP Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246170537 987531458 /nfs/dbraw/zinc/53/14/58/987531458.db2.gz MNNLAYJUXSAJOS-PBWFPOADSA-N 2 0 231.343 1.641 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001118057216 987985815 /nfs/dbraw/zinc/98/58/15/987985815.db2.gz BVRFYQBVIYTMPC-CMPLNLGQSA-N 2 0 234.343 1.967 20 10 BDCDRP C[NH2+]CCC[N@H+](C)Cc1ccc(N)cc1 ZINC001120268516 989621171 /nfs/dbraw/zinc/62/11/71/989621171.db2.gz HCROMOSGMHFNRH-UHFFFAOYSA-N 2 0 207.321 1.310 20 10 BDCDRP Nc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC001120268504 989622787 /nfs/dbraw/zinc/62/27/87/989622787.db2.gz GLTNWNCUHJYPLT-LBPRGKRZSA-N 2 0 219.332 1.358 20 10 BDCDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1O ZINC000379860828 993287851 /nfs/dbraw/zinc/28/78/51/993287851.db2.gz ROCXDMOCNXJGPV-CYBMUJFWSA-N 2 0 234.343 1.870 20 10 BDCDRP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000194543369 385439083 /nfs/dbraw/zinc/43/90/83/385439083.db2.gz SQJLIRLPOQMRFR-OKILXGFUSA-N 2 0 246.354 1.694 20 10 BDCDRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC000194538508 173197552 /nfs/dbraw/zinc/19/75/52/173197552.db2.gz YARKCWYBJDVRHV-BETUJISGSA-N 2 0 232.327 1.386 20 10 BDCDRP Nc1ccc(CC[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000853245991 588728532 /nfs/dbraw/zinc/72/85/32/588728532.db2.gz FSZUGBMKQXACRR-TZMCWYRMSA-N 2 0 231.343 1.010 20 10 BDCDRP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000841052379 584125380 /nfs/dbraw/zinc/12/53/80/584125380.db2.gz UUGCNFOEJDMKHI-MRVPVSSYSA-N 2 0 212.268 1.358 20 10 BDCDRP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OC)c1O ZINC000841069479 584155269 /nfs/dbraw/zinc/15/52/69/584155269.db2.gz AEFUIABQCLIUAO-JTQLQIEISA-N 2 0 224.304 1.228 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)c(O)c1 ZINC000902405632 584573320 /nfs/dbraw/zinc/57/33/20/584573320.db2.gz JMHBXZONJBZZPX-JTQLQIEISA-N 2 0 220.316 1.843 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c(O)c1 ZINC000902405633 584573367 /nfs/dbraw/zinc/57/33/67/584573367.db2.gz JMHBXZONJBZZPX-SNVBAGLBSA-N 2 0 220.316 1.843 20 10 BDCDRP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccc1O ZINC000902408624 584575758 /nfs/dbraw/zinc/57/57/58/584575758.db2.gz ZRSDXVQBWMIQRV-LLVKDONJSA-N 2 0 220.316 1.924 20 10 BDCDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841084150 584883391 /nfs/dbraw/zinc/88/33/91/584883391.db2.gz HKDNGDCPOISSTM-SMDDNHRTSA-N 2 0 246.354 1.839 20 10 BDCDRP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000817963212 584992950 /nfs/dbraw/zinc/99/29/50/584992950.db2.gz SJBPULAKGSWPIS-QWRGUYRKSA-N 2 0 222.332 1.946 20 10 BDCDRP C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817957444 586850703 /nfs/dbraw/zinc/85/07/03/586850703.db2.gz MENXUNLKZZBCLJ-WFASDCNBSA-N 2 0 247.386 1.932 20 10 BDCDRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1O ZINC000817964709 586853807 /nfs/dbraw/zinc/85/38/07/586853807.db2.gz FNJMDORJURGZPL-LBPRGKRZSA-N 2 0 220.316 1.652 20 10 BDCDRP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1O ZINC000817965575 586854121 /nfs/dbraw/zinc/85/41/21/586854121.db2.gz XWEYINIHASEUJJ-JTQLQIEISA-N 2 0 220.316 1.924 20 10 BDCDRP Oc1cccc2c1[C@@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000817968140 586856899 /nfs/dbraw/zinc/85/68/99/586856899.db2.gz PWYYSESCRAPVMM-ZDUSSCGKSA-N 2 0 244.338 1.889 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000817977581 586862170 /nfs/dbraw/zinc/86/21/70/586862170.db2.gz KXCIJTQRZCSISJ-PQFRYHKHSA-N 2 0 232.327 1.569 20 10 BDCDRP CC(C)([NH3+])C[NH2+]Cc1cc(F)ccc1O ZINC000841031440 587936802 /nfs/dbraw/zinc/93/68/02/587936802.db2.gz UCZZOSWFLOTPHS-UHFFFAOYSA-N 2 0 212.268 1.358 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1O ZINC000841033566 587937258 /nfs/dbraw/zinc/93/72/58/587937258.db2.gz VOIHJPHFCGQSIA-LBPRGKRZSA-N 2 0 234.343 1.790 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000841041434 587938614 /nfs/dbraw/zinc/93/86/14/587938614.db2.gz GESVYKMDXLFEIQ-UHFFFAOYSA-N 2 0 222.332 1.708 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1O ZINC000841048033 587938824 /nfs/dbraw/zinc/93/88/24/587938824.db2.gz FVYPSPZBXVSEET-VIFPVBQESA-N 2 0 208.305 1.385 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841047920 587939115 /nfs/dbraw/zinc/93/91/15/587939115.db2.gz DNRZHMOXDWANAG-JTQLQIEISA-N 2 0 239.338 1.576 20 10 BDCDRP COc1ccc(O)c(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000841047622 587939346 /nfs/dbraw/zinc/93/93/46/587939346.db2.gz ADLCLGSTIDRGQI-UHFFFAOYSA-N 2 0 236.315 1.372 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000841077027 587943451 /nfs/dbraw/zinc/94/34/51/587943451.db2.gz WYKWVLSLLHCHFD-VHSXEESVSA-N 2 0 208.305 1.526 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000841085172 587945880 /nfs/dbraw/zinc/94/58/80/587945880.db2.gz WBTPIRFYPQIGLQ-WCQYABFASA-N 2 0 234.343 1.918 20 10 BDCDRP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843057263 588077913 /nfs/dbraw/zinc/07/79/13/588077913.db2.gz HQPKZQKXOPMRLL-VXGBXAGGSA-N 2 0 234.343 1.870 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000843115709 588083074 /nfs/dbraw/zinc/08/30/74/588083074.db2.gz JJGKIILUCOCJOU-AWEZNQCLSA-N 2 0 234.343 1.871 20 10 BDCDRP CN(C)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000844901172 588218996 /nfs/dbraw/zinc/21/89/96/588218996.db2.gz FOTNFTHXFRTXFT-UHFFFAOYSA-N 2 0 247.386 1.971 20 10 BDCDRP CC[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000122246419 589572536 /nfs/dbraw/zinc/57/25/36/589572536.db2.gz WXJLLGPQUSDMTL-AAEUAGOBSA-N 2 0 234.343 1.951 20 10 BDCDRP Cc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000873216481 589997834 /nfs/dbraw/zinc/99/78/34/589997834.db2.gz OYGPUCCPENJIIT-WCQYABFASA-N 2 0 234.343 1.727 20 10 BDCDRP Cc1cccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1O ZINC000873229222 590000510 /nfs/dbraw/zinc/00/05/10/590000510.db2.gz POSAKPGBLYYTHX-DZGCQCFKSA-N 2 0 246.354 1.742 20 10 BDCDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)ccc1O ZINC000873252802 590009011 /nfs/dbraw/zinc/00/90/11/590009011.db2.gz VSDALQXVAIZWDZ-ATZCPNFKSA-N 2 0 238.306 1.919 20 10 BDCDRP Cc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000126870939 590478218 /nfs/dbraw/zinc/47/82/18/590478218.db2.gz RIACFKIKJZPWHG-VXGBXAGGSA-N 2 0 234.343 1.870 20 10 BDCDRP [NH3+]C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128320179 590979397 /nfs/dbraw/zinc/97/93/97/590979397.db2.gz SIHJNYDOUYHRCI-SECBINFHSA-N 2 0 240.734 1.826 20 10 BDCDRP Cc1ccc(O)c(CN(C)C[C@@H](C)[NH3+])c1 ZINC000309054496 632631495 /nfs/dbraw/zinc/63/14/95/632631495.db2.gz SCFWGULZULCIJU-SNVBAGLBSA-N 2 0 208.305 1.480 20 10 BDCDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000310824630 633002354 /nfs/dbraw/zinc/00/23/54/633002354.db2.gz CESRDABOXUMKSB-ZFWWWQNUSA-N 2 0 246.354 1.953 20 10 BDCDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000309423764 633055171 /nfs/dbraw/zinc/05/51/71/633055171.db2.gz WXLMLPULJYDTMC-JQWIXIFHSA-N 2 0 220.316 1.480 20 10 BDCDRP c1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000258929511 635226344 /nfs/dbraw/zinc/22/63/44/635226344.db2.gz GYJKCEAVHQGCKH-LBPRGKRZSA-N 2 0 246.354 1.711 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(Cl)c1 ZINC000906518914 638186736 /nfs/dbraw/zinc/18/67/36/638186736.db2.gz UWMXCOCJYGRYBX-KYZUINATSA-N 2 0 240.734 1.933 20 10 BDCDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000070169759 642985000 /nfs/dbraw/zinc/98/50/00/642985000.db2.gz YVGDPDCQHZNYIB-GFCCVEGCSA-N 2 0 234.343 1.953 20 10 BDCDRP Cc1cc(C[N@H+](C)CCC[NH3+])ccc1N(C)C ZINC000923292129 644330210 /nfs/dbraw/zinc/33/02/10/644330210.db2.gz UGDDWWNSNRXWOG-UHFFFAOYSA-N 2 0 235.375 1.842 20 10 BDCDRP Cc1ccc(O)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000090320543 644589296 /nfs/dbraw/zinc/58/92/96/644589296.db2.gz GDBKXUGGVFMKMQ-CHWSQXEVSA-N 2 0 232.327 1.352 20 10 BDCDRP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817980867 644994691 /nfs/dbraw/zinc/99/46/91/644994691.db2.gz XQJKKTRMAGGVFJ-ZJUUUORDSA-N 2 0 238.331 1.789 20 10 BDCDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000724090546 711560201 /nfs/dbraw/zinc/56/02/01/711560201.db2.gz SAZYQIYSHTUEAV-PWSUYJOCSA-N 2 0 220.316 1.609 20 10 BDCDRP C[N@H+](Cc1cc(Cl)ccc1O)C1CC([NH3+])C1 ZINC000384820643 710997472 /nfs/dbraw/zinc/99/74/72/710997472.db2.gz FBXMLWJLFOIPGW-UHFFFAOYSA-N 2 0 240.734 1.967 20 10 BDCDRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000136140311 711687610 /nfs/dbraw/zinc/68/76/10/711687610.db2.gz QVWRGMHZGVQRTM-NSHDSACASA-N 2 0 234.343 1.839 20 10 BDCDRP COc1cccc(C[N@H+](C)CCC[NH3+])c1O ZINC000227742032 711832680 /nfs/dbraw/zinc/83/26/80/711832680.db2.gz FULWICNZUBDQNZ-UHFFFAOYSA-N 2 0 224.304 1.181 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000708875175 712201746 /nfs/dbraw/zinc/20/17/46/712201746.db2.gz OCGJOMOXPUERAL-CMPLNLGQSA-N 2 0 220.316 1.419 20 10 BDCDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1O ZINC000309307489 960267624 /nfs/dbraw/zinc/26/76/24/960267624.db2.gz DNRSQSJKBUVTDJ-LLVKDONJSA-N 2 0 222.332 1.999 20 10 BDCDRP Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235991064 966209442 /nfs/dbraw/zinc/20/94/42/966209442.db2.gz NYJHRYPOFMSKBR-FZMZJTMJSA-N 2 0 232.327 1.624 20 10 BDCDRP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001205289201 967480440 /nfs/dbraw/zinc/48/04/40/967480440.db2.gz UVCMBZMUBBPTLN-CQSZACIVSA-N 2 0 233.359 1.972 20 10 BDCDRP C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001205317941 967535478 /nfs/dbraw/zinc/53/54/78/967535478.db2.gz QXLSHAPMSMURMJ-DGCLKSJQSA-N 2 0 233.359 1.686 20 10 BDCDRP Nc1ccc(C[NH2+]CCCCCC[NH3+])cc1 ZINC001334754675 976624602 /nfs/dbraw/zinc/62/46/02/976624602.db2.gz QYZKLVVKLBGEKH-UHFFFAOYSA-N 2 0 221.348 1.878 20 10 BDCDRP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001579692031 986184474 /nfs/dbraw/zinc/18/44/74/986184474.db2.gz PDQOTMDBYGKNKN-OAHLLOKOSA-N 2 0 246.354 1.886 20 10 BDCDRP Nc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001120370692 989640388 /nfs/dbraw/zinc/64/03/88/989640388.db2.gz DMIFOOCYBKCMMR-STQMWFEESA-N 2 0 219.332 1.628 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994586 183301249 /nfs/dbraw/zinc/30/12/49/183301249.db2.gz UAAXXDDKCCMRPL-AWEZNQCLSA-N 2 0 232.327 1.578 20 10 BDCDRP CC(C)C[C@H]([NH3+])C[NH2+]CCc1ccc(N)cc1 ZINC000841037870 584081465 /nfs/dbraw/zinc/08/14/65/584081465.db2.gz CQHDNMUNQXCDQL-AWEZNQCLSA-N 2 0 235.375 1.774 20 10 BDCDRP COc1cccc(O)c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841049219 584124600 /nfs/dbraw/zinc/12/46/00/584124600.db2.gz OGQICIGNOSNEGF-VIFPVBQESA-N 2 0 224.304 1.085 20 10 BDCDRP C[C@@H]([NH3+])[C@@H](C)NCc1cc(F)ccc1O ZINC000841076373 584742834 /nfs/dbraw/zinc/74/28/34/584742834.db2.gz GPROOTBQXCIIBI-HTQZYQBOSA-N 2 0 212.268 1.357 20 10 BDCDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957703 584992465 /nfs/dbraw/zinc/99/24/65/584992465.db2.gz OJXZJKQEDWOGGP-MNOVXSKESA-N 2 0 221.348 1.527 20 10 BDCDRP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000817963211 584992817 /nfs/dbraw/zinc/99/28/17/584992817.db2.gz SJBPULAKGSWPIS-MNOVXSKESA-N 2 0 222.332 1.946 20 10 BDCDRP Cc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843056954 585335712 /nfs/dbraw/zinc/33/57/12/585335712.db2.gz DEEFFOSCOIUEPO-NWDGAFQWSA-N 2 0 234.343 1.870 20 10 BDCDRP Oc1cccc2c1[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000817937257 586844711 /nfs/dbraw/zinc/84/47/11/586844711.db2.gz VZZYZKYPRSGBOY-LBPRGKRZSA-N 2 0 232.327 1.721 20 10 BDCDRP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000817945625 586846355 /nfs/dbraw/zinc/84/63/55/586846355.db2.gz ICZSWODNQYKZKI-YPMHNXCESA-N 2 0 246.354 1.969 20 10 BDCDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccccc1O ZINC000817952226 586848231 /nfs/dbraw/zinc/84/82/31/586848231.db2.gz IRJLRNSTGUMCKE-UWVGGRQHSA-N 2 0 208.305 1.780 20 10 BDCDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817952777 586848577 /nfs/dbraw/zinc/84/85/77/586848577.db2.gz MKKIPYFWHAJXRO-IUCAKERBSA-N 2 0 226.295 1.919 20 10 BDCDRP CC[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817957018 586850454 /nfs/dbraw/zinc/85/04/54/586850454.db2.gz HKBQBXIIDREOTA-GJZGRUSLSA-N 2 0 247.386 1.932 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c(O)c1 ZINC000817962048 586852551 /nfs/dbraw/zinc/85/25/51/586852551.db2.gz HFEPSGURSZGYAX-MNOVXSKESA-N 2 0 222.332 1.946 20 10 BDCDRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(C)cc1O ZINC000817964946 586853782 /nfs/dbraw/zinc/85/37/82/586853782.db2.gz KLJDHENJVYEQOO-CYBMUJFWSA-N 2 0 234.343 1.961 20 10 BDCDRP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000817964766 586854213 /nfs/dbraw/zinc/85/42/13/586854213.db2.gz HJHGBZGWEIIBHN-NWDGAFQWSA-N 2 0 232.327 1.706 20 10 BDCDRP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)ccc1O ZINC000817964939 586854345 /nfs/dbraw/zinc/85/43/45/586854345.db2.gz JUOILRQNKSLOLU-QMMMGPOBSA-N 2 0 224.279 1.401 20 10 BDCDRP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)ccc1O ZINC000817965965 586855760 /nfs/dbraw/zinc/85/57/60/586855760.db2.gz XSUNLGJHIFGGPC-PRHODGIISA-N 2 0 238.306 1.919 20 10 BDCDRP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1O ZINC000817974001 586860024 /nfs/dbraw/zinc/86/00/24/586860024.db2.gz XIPRRAVLJKVWCY-GXSJLCMTSA-N 2 0 208.305 1.780 20 10 BDCDRP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1O ZINC000841028437 587936313 /nfs/dbraw/zinc/93/63/13/587936313.db2.gz FSFVBNFTKMMQAK-LLVKDONJSA-N 2 0 208.305 1.465 20 10 BDCDRP COc1cccc(C[NH2+]CC(C)(C)[NH3+])c1O ZINC000841030381 587936431 /nfs/dbraw/zinc/93/64/31/587936431.db2.gz GUDAXTDKCYBUTG-UHFFFAOYSA-N 2 0 224.304 1.228 20 10 BDCDRP [O-]c1c(F)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057117 587940727 /nfs/dbraw/zinc/94/07/27/587940727.db2.gz IIWGIKRDQRQXJH-NSHDSACASA-N 2 0 238.306 1.763 20 10 BDCDRP COc1ccc(CN[C@@H](C)C[NH3+])cc1C ZINC000841064281 587941122 /nfs/dbraw/zinc/94/11/22/587941122.db2.gz XXQRAPJQXZJGCP-JTQLQIEISA-N 2 0 208.305 1.440 20 10 BDCDRP CC[C@H]([NH3+])C[NH2+]Cc1cc(OC)ccc1O ZINC000841071967 587943752 /nfs/dbraw/zinc/94/37/52/587943752.db2.gz KOMSHJWRJUFASM-JTQLQIEISA-N 2 0 224.304 1.228 20 10 BDCDRP Cc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1O ZINC000841077095 587943869 /nfs/dbraw/zinc/94/38/69/587943869.db2.gz ZFARDFFBOUIUCR-NXEZZACHSA-N 2 0 208.305 1.526 20 10 BDCDRP CCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000841079028 587944706 /nfs/dbraw/zinc/94/47/06/587944706.db2.gz VRPHOADZACWJSV-IMRBUKKESA-N 2 0 248.326 1.098 20 10 BDCDRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1O ZINC000842472456 588029023 /nfs/dbraw/zinc/02/90/23/588029023.db2.gz YLVNBKKNBKNPGS-GFCCVEGCSA-N 2 0 234.343 1.824 20 10 BDCDRP CCOc1ccc(C[N@H+](C)CCC[NH3+])c(O)c1 ZINC000843050252 588077409 /nfs/dbraw/zinc/07/74/09/588077409.db2.gz DCVYYOHWVAUAEQ-UHFFFAOYSA-N 2 0 238.331 1.572 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CCOCCC[NH3+])c1 ZINC000863484148 589293073 /nfs/dbraw/zinc/29/30/73/589293073.db2.gz HFZNTKWCZCYTPS-UHFFFAOYSA-N 2 0 238.331 1.156 20 10 BDCDRP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(O)c1 ZINC000876817507 590245718 /nfs/dbraw/zinc/24/57/18/590245718.db2.gz IWENZNGTNGQQTM-STQMWFEESA-N 2 0 232.327 1.352 20 10 BDCDRP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(O)c1 ZINC000876817506 590245778 /nfs/dbraw/zinc/24/57/78/590245778.db2.gz IWENZNGTNGQQTM-CHWSQXEVSA-N 2 0 232.327 1.352 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906510705 638183765 /nfs/dbraw/zinc/18/37/65/638183765.db2.gz RJXTZKXJTUOEGJ-UHFFFAOYSA-N 2 0 236.315 1.370 20 10 BDCDRP CN(C)c1ccc(C[NH2+]C2CC([NH3+])C2)cc1F ZINC000906510162 638184105 /nfs/dbraw/zinc/18/41/05/638184105.db2.gz OOGUHHMDAUQHRL-UHFFFAOYSA-N 2 0 237.322 1.471 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227054728 640811045 /nfs/dbraw/zinc/81/10/45/640811045.db2.gz OAVBSIDBEVAXJY-WCQYABFASA-N 2 0 234.343 1.870 20 10 BDCDRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1O ZINC000168844814 640829327 /nfs/dbraw/zinc/82/93/27/640829327.db2.gz LCYJMLUNZJSYGT-ZYHUDNBSSA-N 2 0 220.316 1.704 20 10 BDCDRP C[NH2+]CCC[N@H+](C)Cc1cc(C)ccc1O ZINC000087472124 640898581 /nfs/dbraw/zinc/89/85/81/640898581.db2.gz HGOPBOVCKMZUJB-UHFFFAOYSA-N 2 0 222.332 1.742 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1cc(OC)ccc1O ZINC000083353526 643435122 /nfs/dbraw/zinc/43/51/22/643435122.db2.gz HHDNLXLMJXDCTB-UHFFFAOYSA-N 2 0 224.304 1.100 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147863 644536440 /nfs/dbraw/zinc/53/64/40/644536440.db2.gz QUVALSMNYAEKQX-ZFWWWQNUSA-N 2 0 247.386 1.970 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1O ZINC000843129552 645266144 /nfs/dbraw/zinc/26/61/44/645266144.db2.gz PPFDTAJXUVKKSN-MNOVXSKESA-N 2 0 222.332 1.916 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925694724 646420642 /nfs/dbraw/zinc/42/06/42/646420642.db2.gz SLGPPVGATGFYNY-UONOGXRCSA-N 2 0 245.370 1.671 20 10 BDCDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1O ZINC000925790902 646485656 /nfs/dbraw/zinc/48/56/56/646485656.db2.gz MUFFJKZKGOIAQZ-WOPDTQHZSA-N 2 0 234.343 1.898 20 10 BDCDRP C[C@H](CC[NH2+]Cc1cc(F)ccc1O)[NH+](C)C ZINC000700470951 711993678 /nfs/dbraw/zinc/99/36/78/711993678.db2.gz HNDRDJJAFKGSIM-SNVBAGLBSA-N 2 0 240.322 1.961 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CC[NH2+]1 ZINC000709372055 712220566 /nfs/dbraw/zinc/22/05/66/712220566.db2.gz SYVZTLIIAKYDFZ-CMPLNLGQSA-N 2 0 220.316 1.622 20 10 BDCDRP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713616 712744809 /nfs/dbraw/zinc/74/48/09/712744809.db2.gz WEKLXCXSFKPJPB-SNVBAGLBSA-N 2 0 208.305 1.700 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713278 712745081 /nfs/dbraw/zinc/74/50/81/712745081.db2.gz SBQGQEOEEZFKNB-VIFPVBQESA-N 2 0 224.304 1.400 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723670186 711532896 /nfs/dbraw/zinc/53/28/96/711532896.db2.gz QDTBUDCYPHZLBK-LBPRGKRZSA-N 2 0 234.343 1.871 20 10 BDCDRP [NH3+]CC1(F)CC[NH+](Cc2ccccc2O)CC1 ZINC001222532447 960683582 /nfs/dbraw/zinc/68/35/82/960683582.db2.gz LVVVPKMGPKAOOE-UHFFFAOYSA-N 2 0 238.306 1.655 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380671 966654312 /nfs/dbraw/zinc/65/43/12/966654312.db2.gz GQKWOQCNIISYIV-TZMCWYRMSA-N 2 0 246.354 1.966 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@@H]1C[NH3+] ZINC001334754224 976623499 /nfs/dbraw/zinc/62/34/99/976623499.db2.gz MJRGRGSUSSCFKR-DGCLKSJQSA-N 2 0 233.359 1.686 20 10 BDCDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774812 976641229 /nfs/dbraw/zinc/64/12/29/976641229.db2.gz OXZWRQCUCPYWFC-AAEUAGOBSA-N 2 0 233.359 1.828 20 10 BDCDRP C[NH2+]CC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336284960 977616234 /nfs/dbraw/zinc/61/62/34/977616234.db2.gz FMGAVYPUWRHBLU-UHFFFAOYSA-N 2 0 233.359 1.700 20 10 BDCDRP CC1(C)CN(Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001336287220 977620477 /nfs/dbraw/zinc/62/04/77/977620477.db2.gz YCYCNQZODAWTIU-LBPRGKRZSA-N 2 0 219.332 1.438 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237410099 979885092 /nfs/dbraw/zinc/88/50/92/979885092.db2.gz BJLVEFHMFJTGGD-ZFWWWQNUSA-N 2 0 245.370 1.843 20 10 BDCDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001345159314 980570128 /nfs/dbraw/zinc/57/01/28/980570128.db2.gz GBTAMRWOIUBNRV-ZDUSSCGKSA-N 2 0 219.332 1.440 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)CC[NH2+]1 ZINC001246168547 987533772 /nfs/dbraw/zinc/53/37/72/987533772.db2.gz FKPTUKBFTVHBBK-GXFFZTMASA-N 2 0 219.332 1.499 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001118020720 987986660 /nfs/dbraw/zinc/98/66/60/987986660.db2.gz XQOHDPGXWNUQDV-NSHDSACASA-N 2 0 234.343 1.567 20 10 BDCDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000379860829 993288981 /nfs/dbraw/zinc/28/89/81/993288981.db2.gz ROCXDMOCNXJGPV-ZDUSSCGKSA-N 2 0 234.343 1.870 20 10 BDCDRP C[N@@H+](Cc1ccccc1O)CC1CC[NH2+]CC1 ZINC000094010781 384285813 /nfs/dbraw/zinc/28/58/13/384285813.db2.gz LYPONGNJSGBFFG-UHFFFAOYSA-N 2 0 234.343 1.824 20 10 BDCDRP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000857226540 588895939 /nfs/dbraw/zinc/89/59/39/588895939.db2.gz QUCPGBJOYHLZPH-GXTWGEPZSA-N 2 0 232.327 1.705 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CCC(C)(C)[NH3+])c1 ZINC000903938532 584826564 /nfs/dbraw/zinc/82/65/64/584826564.db2.gz FHRNUXRRMXDMCN-UHFFFAOYSA-N 2 0 222.332 1.918 20 10 BDCDRP C[C@]1(C[NH2+]CCc2ccc(N)cc2)CCC[NH2+]C1 ZINC000904353630 584870439 /nfs/dbraw/zinc/87/04/39/584870439.db2.gz PJZUTIWMAUMXBB-HNNXBMFYSA-N 2 0 247.386 1.791 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817963905 584992903 /nfs/dbraw/zinc/99/29/03/584992903.db2.gz YBKNCGLKGQRWFR-GXSJLCMTSA-N 2 0 220.316 1.564 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000843053099 585332234 /nfs/dbraw/zinc/33/22/34/585332234.db2.gz YMDUMSBVQDQNOW-YPMHNXCESA-N 2 0 234.343 1.870 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000843053085 585332373 /nfs/dbraw/zinc/33/23/73/585332373.db2.gz YMDUMSBVQDQNOW-DGCLKSJQSA-N 2 0 234.343 1.870 20 10 BDCDRP Cc1cc(O)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000770395032 585573880 /nfs/dbraw/zinc/57/38/80/585573880.db2.gz OOPJACQIPRKUSF-KBPBESRZSA-N 2 0 246.354 1.660 20 10 BDCDRP CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647992 585682462 /nfs/dbraw/zinc/68/24/62/585682462.db2.gz LFVUKDHNWDRUAN-UHFFFAOYSA-N 2 0 247.386 1.890 20 10 BDCDRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817952336 586848143 /nfs/dbraw/zinc/84/81/43/586848143.db2.gz JWCOFQFGKHQQRH-GXSJLCMTSA-N 2 0 220.316 1.706 20 10 BDCDRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1O ZINC000817968716 586856496 /nfs/dbraw/zinc/85/64/96/586856496.db2.gz WKXBEEHBMVVBSQ-NSHDSACASA-N 2 0 232.327 1.963 20 10 BDCDRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841028536 587936521 /nfs/dbraw/zinc/93/65/21/587936521.db2.gz BEPXDNDAURPTBT-KGLIPLIRSA-N 2 0 246.354 1.839 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000841048078 587939135 /nfs/dbraw/zinc/93/91/35/587939135.db2.gz GQPFQVRYPHBSFG-JTQLQIEISA-N 2 0 238.331 1.475 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000841049787 587939864 /nfs/dbraw/zinc/93/98/64/587939864.db2.gz HQSUQQUDCXWMIS-SECBINFHSA-N 2 0 224.304 1.228 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000841085170 587945541 /nfs/dbraw/zinc/94/55/41/587945541.db2.gz WBTPIRFYPQIGLQ-AAEUAGOBSA-N 2 0 234.343 1.918 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000841091674 587946352 /nfs/dbraw/zinc/94/63/52/587946352.db2.gz CRPUSJYBAKWJSW-UHFFFAOYSA-N 2 0 234.343 1.932 20 10 BDCDRP Oc1ccc(F)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841091593 587946506 /nfs/dbraw/zinc/94/65/06/587946506.db2.gz BGJDOHXKVSAOAR-UHFFFAOYSA-N 2 0 238.306 1.763 20 10 BDCDRP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3O)CC[C@@H]21 ZINC000877742723 590408210 /nfs/dbraw/zinc/40/82/10/590408210.db2.gz GCUHFCBXDZEHPR-JSGCOSHPSA-N 2 0 246.354 1.918 20 10 BDCDRP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000258987916 635231854 /nfs/dbraw/zinc/23/18/54/635231854.db2.gz LNNPDHRPPNAGCV-CYBMUJFWSA-N 2 0 246.354 1.711 20 10 BDCDRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000906507836 638180129 /nfs/dbraw/zinc/18/01/29/638180129.db2.gz FLLLINRNVSXBRS-MGCOHNPYSA-N 2 0 226.707 1.625 20 10 BDCDRP CN(C)c1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000841087784 639126680 /nfs/dbraw/zinc/12/66/80/639126680.db2.gz XCBIIQKPFLNTMH-AWEZNQCLSA-N 2 0 247.386 1.983 20 10 BDCDRP C[NH2+]CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000063158970 641140218 /nfs/dbraw/zinc/14/02/18/641140218.db2.gz WVCDJHIQVDBMEW-UHFFFAOYSA-N 2 0 234.343 1.824 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1cc(C)ccc1O ZINC000083345528 643434826 /nfs/dbraw/zinc/43/48/26/643434826.db2.gz SCNSGGZVUMLING-UHFFFAOYSA-N 2 0 208.305 1.400 20 10 BDCDRP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1O ZINC000843129555 645265872 /nfs/dbraw/zinc/26/58/72/645265872.db2.gz PPFDTAJXUVKKSN-WDEREUQCSA-N 2 0 222.332 1.916 20 10 BDCDRP CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000386458308 711030142 /nfs/dbraw/zinc/03/01/42/711030142.db2.gz SGDRVJALXNOZON-HNNXBMFYSA-N 2 0 247.386 1.923 20 10 BDCDRP CN(C)c1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723678484 711533806 /nfs/dbraw/zinc/53/38/06/711533806.db2.gz UFGFUXURHAYYQI-CQSZACIVSA-N 2 0 247.386 1.923 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1CC[NH3+] ZINC000723893276 711544244 /nfs/dbraw/zinc/54/42/44/711544244.db2.gz XLQDXFANXWEAJR-VXGBXAGGSA-N 2 0 234.343 1.809 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000724060888 711558759 /nfs/dbraw/zinc/55/87/59/711558759.db2.gz XVHKWDSERYZAKT-ZIAGYGMSSA-N 2 0 247.386 1.970 20 10 BDCDRP COc1ccc(O)c(C[NH+]2CCC([NH3+])CC2)c1 ZINC000037093705 712537047 /nfs/dbraw/zinc/53/70/47/712537047.db2.gz KDFTUZIZDCSULG-UHFFFAOYSA-N 2 0 236.315 1.324 20 10 BDCDRP C[C@H]([NH2+]CCC[NH3+])c1ccc(N(C)C)cc1 ZINC000037713723 712745090 /nfs/dbraw/zinc/74/50/90/712745090.db2.gz NRWCPZJGHTUQDA-NSHDSACASA-N 2 0 221.348 1.752 20 10 BDCDRP CN(C)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040727 712801592 /nfs/dbraw/zinc/80/15/92/712801592.db2.gz ZDSXVCPWHCDTJY-UHFFFAOYSA-N 2 0 233.359 1.594 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CC[NH2+]1 ZINC001246318808 972276481 /nfs/dbraw/zinc/27/64/81/972276481.db2.gz VPWNLZVHHMEKLI-KOLCDFICSA-N 2 0 236.315 1.328 20 10 BDCDRP [NH3+][C@H]1CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001205110551 967360280 /nfs/dbraw/zinc/36/02/80/967360280.db2.gz VTCPZVLHIBCKGB-NSHDSACASA-N 2 0 236.315 1.411 20 10 BDCDRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC001205140327 967390563 /nfs/dbraw/zinc/39/05/63/967390563.db2.gz HBWPXPFOOBZIAT-WCQYABFASA-N 2 0 234.343 1.727 20 10 BDCDRP Cc1ccc(C)c(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206722879 968440963 /nfs/dbraw/zinc/44/09/63/968440963.db2.gz HTVAVRFYKAVGRA-UHFFFAOYSA-N 2 0 234.343 1.790 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC001334775502 976643840 /nfs/dbraw/zinc/64/38/40/976643840.db2.gz ZSEOJEBZDCBPKD-CQSZACIVSA-N 2 0 233.359 1.972 20 10 BDCDRP C[C@@H]([NH2+]Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001336285370 977615645 /nfs/dbraw/zinc/61/56/45/977615645.db2.gz LHVQVLZPAQVWKW-DGCLKSJQSA-N 2 0 233.359 1.747 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC001352791648 982581061 /nfs/dbraw/zinc/58/10/61/982581061.db2.gz YVVGHIIGAXBEGX-LBPRGKRZSA-N 2 0 233.359 1.830 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC001118057218 987995565 /nfs/dbraw/zinc/99/55/65/987995565.db2.gz BVRFYQBVIYTMPC-PWSUYJOCSA-N 2 0 234.343 1.967 20 10 BDCDRP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000380056168 993311568 /nfs/dbraw/zinc/31/15/68/993311568.db2.gz NHXGIPOUQMVYIS-GFCCVEGCSA-N 2 0 234.343 1.953 20 10 BDCDRP C[NH2+]C[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000853250716 588729378 /nfs/dbraw/zinc/72/93/78/588729378.db2.gz YAJXOLHTHSUJRU-NSHDSACASA-N 2 0 222.332 1.701 20 10 BDCDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902407834 584575004 /nfs/dbraw/zinc/57/50/04/584575004.db2.gz VZBBZOTZZDNNTM-SECBINFHSA-N 2 0 236.315 1.543 20 10 BDCDRP CN(C)c1ccc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904301124 584861288 /nfs/dbraw/zinc/86/12/88/584861288.db2.gz HEZJMDYJTZGKCE-OKILXGFUSA-N 2 0 247.386 1.922 20 10 BDCDRP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000817939978 586845541 /nfs/dbraw/zinc/84/55/41/586845541.db2.gz IWIKVXHGSHYLHN-NSHDSACASA-N 2 0 222.332 1.961 20 10 BDCDRP C[NH2+]CCN[C@@H](C)c1ccc(C)cc1O ZINC000817952434 586848237 /nfs/dbraw/zinc/84/82/37/586848237.db2.gz PSKYLHVBYOGTSZ-JTQLQIEISA-N 2 0 208.305 1.571 20 10 BDCDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000817961606 586852212 /nfs/dbraw/zinc/85/22/12/586852212.db2.gz ANJGINWLVUVUOV-NXEZZACHSA-N 2 0 238.331 1.646 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccccc1O ZINC000817961683 586853433 /nfs/dbraw/zinc/85/34/33/586853433.db2.gz CHXFIXBAVWZMKV-NXEZZACHSA-N 2 0 208.305 1.638 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)c(O)c1 ZINC000817964674 586853756 /nfs/dbraw/zinc/85/37/56/586853756.db2.gz DBBHBXUBKYYVCD-SNVBAGLBSA-N 2 0 220.316 1.571 20 10 BDCDRP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)ccc1O ZINC000817965967 586854919 /nfs/dbraw/zinc/85/49/19/586854919.db2.gz XSUNLGJHIFGGPC-QPUJVOFHSA-N 2 0 238.306 1.919 20 10 BDCDRP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1O ZINC000817974005 586860500 /nfs/dbraw/zinc/86/05/00/586860500.db2.gz XIPRRAVLJKVWCY-MWLCHTKSSA-N 2 0 208.305 1.780 20 10 BDCDRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817978602 586862087 /nfs/dbraw/zinc/86/20/87/586862087.db2.gz CEHFCWGPQGTLNP-ATZCPNFKSA-N 2 0 220.316 1.705 20 10 BDCDRP Cc1cccc(C[NH2+]CC2([NH3+])CCC2)c1O ZINC000841048712 587935171 /nfs/dbraw/zinc/93/51/71/587935171.db2.gz LCULLSCRVHKBBX-UHFFFAOYSA-N 2 0 220.316 1.672 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000841028847 587936223 /nfs/dbraw/zinc/93/62/23/587936223.db2.gz IRVHKVMZHXTWIN-LBPRGKRZSA-N 2 0 222.332 1.774 20 10 BDCDRP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1O ZINC000841028438 587936628 /nfs/dbraw/zinc/93/66/28/587936628.db2.gz FSFVBNFTKMMQAK-NSHDSACASA-N 2 0 208.305 1.465 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000841050184 587939985 /nfs/dbraw/zinc/93/99/85/587939985.db2.gz ZABPPGFSXZBWMO-SNVBAGLBSA-N 2 0 208.305 1.385 20 10 BDCDRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841058005 587940637 /nfs/dbraw/zinc/94/06/37/587940637.db2.gz DPJGAQOAFIYNQC-SMDDNHRTSA-N 2 0 246.354 1.709 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000841056784 587940732 /nfs/dbraw/zinc/94/07/32/587940732.db2.gz FEIBOYUQTVLVBV-ZDUSSCGKSA-N 2 0 234.343 1.932 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1O ZINC000841077098 587943387 /nfs/dbraw/zinc/94/33/87/587943387.db2.gz ZFARDFFBOUIUCR-ZJUUUORDSA-N 2 0 208.305 1.526 20 10 BDCDRP COc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1O ZINC000841081724 587945142 /nfs/dbraw/zinc/94/51/42/587945142.db2.gz XNQRCOKPFGPEIV-JTQLQIEISA-N 2 0 238.331 1.618 20 10 BDCDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841085155 587945544 /nfs/dbraw/zinc/94/55/44/587945544.db2.gz VQOPANUXHMOCCO-SKDRFNHKSA-N 2 0 238.306 1.748 20 10 BDCDRP C[C@H]([NH3+])CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350373 588102367 /nfs/dbraw/zinc/10/23/67/588102367.db2.gz NXWJBWZIMZXQBD-JTQLQIEISA-N 2 0 219.332 1.245 20 10 BDCDRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1O ZINC000873258740 590012992 /nfs/dbraw/zinc/01/29/92/590012992.db2.gz VSDALQXVAIZWDZ-QXEWZRGKSA-N 2 0 238.306 1.919 20 10 BDCDRP Cc1cccc(O)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000876818590 590246030 /nfs/dbraw/zinc/24/60/30/590246030.db2.gz WKZRCUCCIKCTFL-VXGBXAGGSA-N 2 0 232.327 1.352 20 10 BDCDRP Cc1ccc(C[NH2+][C@H]2CCCN(C)C2)c(O)c1 ZINC000876961573 590261322 /nfs/dbraw/zinc/26/13/22/590261322.db2.gz INPGMPXLPVRDMC-ZDUSSCGKSA-N 2 0 234.343 1.884 20 10 BDCDRP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219733672 592240497 /nfs/dbraw/zinc/24/04/97/592240497.db2.gz VAYMPJVOXRVFIO-SNVBAGLBSA-N 2 0 238.306 1.702 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000310372969 635758927 /nfs/dbraw/zinc/75/89/27/635758927.db2.gz OMRUSHXUWQPLOD-AWEZNQCLSA-N 2 0 234.343 1.871 20 10 BDCDRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000162936775 635203902 /nfs/dbraw/zinc/20/39/02/635203902.db2.gz YDQXZJVSTSZHGZ-NEPJUHHUSA-N 2 0 220.316 1.752 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906517975 638187421 /nfs/dbraw/zinc/18/74/21/638187421.db2.gz LPWUDMQZPKRRQH-JOCQHMNTSA-N 2 0 233.359 1.640 20 10 BDCDRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000906518306 638188018 /nfs/dbraw/zinc/18/80/18/638188018.db2.gz VPNCVFZGNCHZHI-MGCOHNPYSA-N 2 0 210.252 1.111 20 10 BDCDRP COc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000090320513 644588997 /nfs/dbraw/zinc/58/89/97/644588997.db2.gz FDVLGNMKQYNOFM-VXGBXAGGSA-N 2 0 248.326 1.052 20 10 BDCDRP CC[C@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000251901748 644831080 /nfs/dbraw/zinc/83/10/80/644831080.db2.gz WXJLLGPQUSDMTL-WCQYABFASA-N 2 0 234.343 1.951 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925694722 646419739 /nfs/dbraw/zinc/41/97/39/646419739.db2.gz SLGPPVGATGFYNY-KBPBESRZSA-N 2 0 245.370 1.671 20 10 BDCDRP [NH3+][C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001205110550 967356136 /nfs/dbraw/zinc/35/61/36/967356136.db2.gz VTCPZVLHIBCKGB-LLVKDONJSA-N 2 0 236.315 1.411 20 10 BDCDRP Cc1cccc(O)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150726 967395879 /nfs/dbraw/zinc/39/58/79/967395879.db2.gz ITEXZAXUJLLVAR-NWDGAFQWSA-N 2 0 234.343 1.727 20 10 BDCDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001335285588 976924145 /nfs/dbraw/zinc/92/41/45/976924145.db2.gz QEQFPBBKSBBCGL-LBPRGKRZSA-N 2 0 219.332 1.310 20 10 BDCDRP Nc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC001335288127 976928508 /nfs/dbraw/zinc/92/85/08/976928508.db2.gz DNZDXVMAVLVUEB-AAEUAGOBSA-N 2 0 219.332 1.486 20 10 BDCDRP CN(C)c1ccc(C[NH2+]CCCC[NH3+])cc1F ZINC001345103411 980550236 /nfs/dbraw/zinc/55/02/36/980550236.db2.gz DMYLHPSLWRSGLU-UHFFFAOYSA-N 2 0 239.338 1.720 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC001118019111 987985510 /nfs/dbraw/zinc/98/55/10/987985510.db2.gz NMZUMGUHSIECGQ-LBPRGKRZSA-N 2 0 235.375 1.840 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1cc(OC)ccc1O ZINC001325268070 989139720 /nfs/dbraw/zinc/13/97/20/989139720.db2.gz OTPFSAPTEBMEDF-SNVBAGLBSA-N 2 0 238.331 1.488 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001262487707 992893658 /nfs/dbraw/zinc/89/36/58/992893658.db2.gz BQABGGLVVDOIPS-LBPRGKRZSA-N 2 0 248.370 1.957 20 10 BDCDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001334753500 994626791 /nfs/dbraw/zinc/62/67/91/994626791.db2.gz GDIAXSZMPGUDOX-SNVBAGLBSA-N 2 0 207.321 1.486 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001336286522 994999263 /nfs/dbraw/zinc/99/92/63/994999263.db2.gz QZZQPUFJFLKQLD-TZMCWYRMSA-N 2 0 231.343 1.453 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994583 183302232 /nfs/dbraw/zinc/30/22/32/183302232.db2.gz UAAXXDDKCCMRPL-CQSZACIVSA-N 2 0 232.327 1.578 20 10 BDCDRP COc1cccc(C[NH2+]CCC[NH+](C)C)c1O ZINC000019958560 175264547 /nfs/dbraw/zinc/26/45/47/175264547.db2.gz ISDAHFQBGBBKBH-UHFFFAOYSA-N 2 0 238.331 1.442 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000841048928 584124056 /nfs/dbraw/zinc/12/40/56/584124056.db2.gz GWACTEOHJBZDMK-LBPRGKRZSA-N 2 0 220.316 1.528 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000841062476 584126250 /nfs/dbraw/zinc/12/62/50/584126250.db2.gz XDYVJAZUXKFROK-RISCZKNCSA-N 2 0 246.354 1.852 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000903964746 584834145 /nfs/dbraw/zinc/83/41/45/584834145.db2.gz PMSFTHGSWNEJQU-OCCSQVGLSA-N 2 0 247.386 1.698 20 10 BDCDRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1O ZINC000817936703 584991513 /nfs/dbraw/zinc/99/15/13/584991513.db2.gz QCWHHMJSBHJMIP-JTQLQIEISA-N 2 0 220.316 1.795 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000843127260 586413410 /nfs/dbraw/zinc/41/34/10/586413410.db2.gz PCQWBTMSVVHONB-OCCSQVGLSA-N 2 0 246.354 1.884 20 10 BDCDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902094 586835604 /nfs/dbraw/zinc/83/56/04/586835604.db2.gz HZLRPDIFJKBNBF-MNOVXSKESA-N 2 0 234.343 1.837 20 10 BDCDRP C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCCC[NH2+]1 ZINC000817957441 586850315 /nfs/dbraw/zinc/85/03/15/586850315.db2.gz MENXUNLKZZBCLJ-IUODEOHRSA-N 2 0 247.386 1.932 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817962470 586852737 /nfs/dbraw/zinc/85/27/37/586852737.db2.gz MTBXEYZVGZKRDF-BDAKNGLRSA-N 2 0 226.295 1.777 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000817961607 586853405 /nfs/dbraw/zinc/85/34/05/586853405.db2.gz ANJGINWLVUVUOV-UWVGGRQHSA-N 2 0 238.331 1.646 20 10 BDCDRP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817971822 586859226 /nfs/dbraw/zinc/85/92/26/586859226.db2.gz HJPICKYIAZJNQD-SCZZXKLOSA-N 2 0 206.289 1.316 20 10 BDCDRP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC000817977179 586861478 /nfs/dbraw/zinc/86/14/78/586861478.db2.gz DHIHXVWLBQTNSS-CZXHOFHRSA-N 2 0 232.327 1.651 20 10 BDCDRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841028535 587936365 /nfs/dbraw/zinc/93/63/65/587936365.db2.gz BEPXDNDAURPTBT-KBPBESRZSA-N 2 0 246.354 1.839 20 10 BDCDRP Cc1cc(O)c(C[NH2+]C[C@@H](C)C[NH3+])cc1C ZINC000841049162 587940221 /nfs/dbraw/zinc/94/02/21/587940221.db2.gz NSYAIFODCBSVCW-VIFPVBQESA-N 2 0 222.332 1.693 20 10 BDCDRP CCOc1cccc(C[NH2+][C@H](C)CC[NH3+])c1O ZINC000841052458 587940261 /nfs/dbraw/zinc/94/02/61/587940261.db2.gz XUUQNTCCJHLWJC-SNVBAGLBSA-N 2 0 238.331 1.618 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000841076994 587943854 /nfs/dbraw/zinc/94/38/54/587943854.db2.gz VXYKDLPITNOBDF-RKDXNWHRSA-N 2 0 224.304 1.226 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+]Cc1cc(OC)ccc1O ZINC000841071968 587944114 /nfs/dbraw/zinc/94/41/14/587944114.db2.gz KOMSHJWRJUFASM-SNVBAGLBSA-N 2 0 224.304 1.228 20 10 BDCDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841080094 587945210 /nfs/dbraw/zinc/94/52/10/587945210.db2.gz NQKLOORZZCRVPY-NSHDSACASA-N 2 0 234.343 1.839 20 10 BDCDRP Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1O ZINC000843047096 588076199 /nfs/dbraw/zinc/07/61/99/588076199.db2.gz GNGALLJWTBNMNS-UHFFFAOYSA-N 2 0 234.343 1.871 20 10 BDCDRP Cc1cccc(C[NH+]2CCC([NH3+])CC2)c1O ZINC000843047074 588076344 /nfs/dbraw/zinc/07/63/44/588076344.db2.gz FOOFCYQKBKJUBA-UHFFFAOYSA-N 2 0 220.316 1.624 20 10 BDCDRP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843057261 588077460 /nfs/dbraw/zinc/07/74/60/588077460.db2.gz HQPKZQKXOPMRLL-NWDGAFQWSA-N 2 0 234.343 1.870 20 10 BDCDRP COc1cccc(O)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000843126779 588084242 /nfs/dbraw/zinc/08/42/42/588084242.db2.gz ADLVKWBAOSNCEB-NXEZZACHSA-N 2 0 238.331 1.616 20 10 BDCDRP COc1ccc(O)c(CN2CCC[C@@H]2C[NH3+])c1 ZINC000131367267 591604533 /nfs/dbraw/zinc/60/45/33/591604533.db2.gz SDUPXDBMIBYNCW-LLVKDONJSA-N 2 0 236.315 1.324 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000084946455 631455382 /nfs/dbraw/zinc/45/53/82/631455382.db2.gz GTFRCGNUOGDCCG-WFASDCNBSA-N 2 0 247.386 1.922 20 10 BDCDRP [NH3+]CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000308951423 632576397 /nfs/dbraw/zinc/57/63/97/632576397.db2.gz VDVMAWPCXWUHSB-JTQLQIEISA-N 2 0 206.289 1.318 20 10 BDCDRP Cc1cc(O)c(C[NH2+]C2CC([NH3+])C2)c(Cl)c1 ZINC000906511463 638185209 /nfs/dbraw/zinc/18/52/09/638185209.db2.gz UWMXCOCJYGRYBX-UHFFFAOYSA-N 2 0 240.734 1.933 20 10 BDCDRP C[NH2+]CCC[N@H+](C)Cc1ccccc1O ZINC000087472211 640898359 /nfs/dbraw/zinc/89/83/59/640898359.db2.gz FLNRNFVUANHHQJ-UHFFFAOYSA-N 2 0 208.305 1.434 20 10 BDCDRP CN(CCC[NH3+])Cc1c(O)cccc1Cl ZINC000227742787 641738959 /nfs/dbraw/zinc/73/89/59/641738959.db2.gz YQIPICICSZLOGV-UHFFFAOYSA-N 2 0 228.723 1.826 20 10 BDCDRP CN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245221 643661537 /nfs/dbraw/zinc/66/15/37/643661537.db2.gz AVHGSBPQJOVSIQ-CYBMUJFWSA-N 2 0 233.359 1.533 20 10 BDCDRP COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000090320512 644589253 /nfs/dbraw/zinc/58/92/53/644589253.db2.gz FDVLGNMKQYNOFM-TXEJJXNPSA-N 2 0 248.326 1.052 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000251658206 644815733 /nfs/dbraw/zinc/81/57/33/644815733.db2.gz GTFRCGNUOGDCCG-IUODEOHRSA-N 2 0 247.386 1.922 20 10 BDCDRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(F)ccc1O ZINC000220334411 645890435 /nfs/dbraw/zinc/89/04/35/645890435.db2.gz FZIMEWAYARIGJQ-CABZTGNLSA-N 2 0 238.306 1.843 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+]CCC[NH3+])c(O)c1 ZINC000037713484 712745045 /nfs/dbraw/zinc/74/50/45/712745045.db2.gz NVEGQCFTDCFHGK-JTQLQIEISA-N 2 0 208.305 1.700 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C)c(C)cc1O ZINC001345100668 980546757 /nfs/dbraw/zinc/54/67/57/980546757.db2.gz URPQJDUAEYIYCE-SNVBAGLBSA-N 2 0 236.359 1.954 20 10 BDCDRP C[NH+]1CCN(c2ccc(C3=CC[NH2+]C3)cc2)CC1 ZINC001243110139 970342507 /nfs/dbraw/zinc/34/25/07/970342507.db2.gz BEDVTSIFHYJUSA-UHFFFAOYSA-N 2 0 243.354 1.425 20 10 BDCDRP C[C@H]([NH2+]Cc1ccccc1O)C1CC[NH2+]CC1 ZINC000400324320 970579621 /nfs/dbraw/zinc/57/96/21/970579621.db2.gz CWJQSPOINWAPDU-NSHDSACASA-N 2 0 234.343 1.870 20 10 BDCDRP Cc1cc(C)c(C[NH2+]C2CC[NH2+]CC2)c(O)c1 ZINC001246344217 987753536 /nfs/dbraw/zinc/75/35/36/987753536.db2.gz OQJDGYJOQXTLJM-UHFFFAOYSA-N 2 0 234.343 1.851 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001118020718 987986398 /nfs/dbraw/zinc/98/63/98/987986398.db2.gz XQOHDPGXWNUQDV-LLVKDONJSA-N 2 0 234.343 1.567 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC001118019109 987988902 /nfs/dbraw/zinc/98/89/02/987988902.db2.gz NMZUMGUHSIECGQ-GFCCVEGCSA-N 2 0 235.375 1.840 20 10 BDCDRP Nc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC001120268503 989622508 /nfs/dbraw/zinc/62/25/08/989622508.db2.gz GLTNWNCUHJYPLT-GFCCVEGCSA-N 2 0 219.332 1.358 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001336286509 994999787 /nfs/dbraw/zinc/99/97/87/994999787.db2.gz QZZQPUFJFLKQLD-JSGCOSHPSA-N 2 0 231.343 1.453 20 10 BDCDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000216058784 583169294 /nfs/dbraw/zinc/16/92/94/583169294.db2.gz JZIPFPQVEOOPHS-JSGCOSHPSA-N 2 0 247.386 1.922 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+]CCC[NH2+]C)c1 ZINC000841043141 584121359 /nfs/dbraw/zinc/12/13/59/584121359.db2.gz RMVOODNKAYXKNG-UHFFFAOYSA-N 2 0 238.331 1.490 20 10 BDCDRP COc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1O ZINC000841049685 584124627 /nfs/dbraw/zinc/12/46/27/584124627.db2.gz MTXCWEIXTDTYOB-NSHDSACASA-N 2 0 236.315 1.228 20 10 BDCDRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000841052380 584125164 /nfs/dbraw/zinc/12/51/64/584125164.db2.gz UUGCNFOEJDMKHI-QMMMGPOBSA-N 2 0 212.268 1.358 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000841062477 584126518 /nfs/dbraw/zinc/12/65/18/584126518.db2.gz XDYVJAZUXKFROK-SMDDNHRTSA-N 2 0 246.354 1.852 20 10 BDCDRP COc1cccc(O)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939416 584824988 /nfs/dbraw/zinc/82/49/88/584824988.db2.gz ZUUNJDWNJNAUCJ-UHFFFAOYSA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420630 584882357 /nfs/dbraw/zinc/88/23/57/584882357.db2.gz CGAQKPCHBOWKGK-GXTWGEPZSA-N 2 0 246.354 1.742 20 10 BDCDRP Cc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1O ZINC000841094412 584884241 /nfs/dbraw/zinc/88/42/41/584884241.db2.gz XVRQZMYIBHFGBR-UHFFFAOYSA-N 2 0 234.343 1.932 20 10 BDCDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957702 584992185 /nfs/dbraw/zinc/99/21/85/584992185.db2.gz OJXZJKQEDWOGGP-GHMZBOCLSA-N 2 0 221.348 1.527 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817980641 584994705 /nfs/dbraw/zinc/99/47/05/584994705.db2.gz WFAXKQLJADDYJS-GHMZBOCLSA-N 2 0 220.316 1.706 20 10 BDCDRP C[NH2+]CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000817940876 586845629 /nfs/dbraw/zinc/84/56/29/586845629.db2.gz ONYIQMLIRZGBDR-SECBINFHSA-N 2 0 226.295 1.791 20 10 BDCDRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817959137 586851818 /nfs/dbraw/zinc/85/18/18/586851818.db2.gz PODWISYSHDBUES-VXGBXAGGSA-N 2 0 234.343 1.952 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)c(O)c1 ZINC000817964673 586853837 /nfs/dbraw/zinc/85/38/37/586853837.db2.gz DBBHBXUBKYYVCD-JTQLQIEISA-N 2 0 220.316 1.571 20 10 BDCDRP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1O ZINC000817979267 586861371 /nfs/dbraw/zinc/86/13/71/586861371.db2.gz JFSCAKVVELTULP-ZJUUUORDSA-N 2 0 208.305 1.780 20 10 BDCDRP Cc1cccc(C[NH2+][C@H](C)CC[NH3+])c1O ZINC000841049746 587935457 /nfs/dbraw/zinc/93/54/57/587935457.db2.gz GWNSUOGHENUFIM-SNVBAGLBSA-N 2 0 208.305 1.528 20 10 BDCDRP Oc1ccc(F)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026655 587935617 /nfs/dbraw/zinc/93/56/17/587935617.db2.gz NQPCUZKSQHKSAY-UHFFFAOYSA-N 2 0 224.279 1.373 20 10 BDCDRP CCOc1cccc(C[NH2+]CC(C)(C)[NH3+])c1O ZINC000841030474 587935900 /nfs/dbraw/zinc/93/59/00/587935900.db2.gz ILVMFZBBXLJTCQ-UHFFFAOYSA-N 2 0 238.331 1.618 20 10 BDCDRP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1O ZINC000841031574 587936624 /nfs/dbraw/zinc/93/66/24/587936624.db2.gz WSPUDPSQKVKJNQ-UHFFFAOYSA-N 2 0 222.332 1.999 20 10 BDCDRP CC[NH+]1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841037171 587937506 /nfs/dbraw/zinc/93/75/06/587937506.db2.gz YWDWLJXXBCNEBK-UHFFFAOYSA-N 2 0 247.386 1.885 20 10 BDCDRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1ccc(N)cc1 ZINC000841038788 587938274 /nfs/dbraw/zinc/93/82/74/587938274.db2.gz QGVHRWDNFPEQEM-SWLSCSKDSA-N 2 0 247.386 1.932 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841041414 587938554 /nfs/dbraw/zinc/93/85/54/587938554.db2.gz FNWJEKBKUXPDDO-UHFFFAOYSA-N 2 0 239.338 1.591 20 10 BDCDRP COc1ccc(O)c(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000841048326 587939188 /nfs/dbraw/zinc/93/91/88/587939188.db2.gz HJXSOXWEKGXZCJ-VIFPVBQESA-N 2 0 224.304 1.085 20 10 BDCDRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841049451 587940093 /nfs/dbraw/zinc/94/00/93/587940093.db2.gz DXMLRKGRWSGEKZ-JTQLQIEISA-N 2 0 239.338 1.719 20 10 BDCDRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841049452 587940132 /nfs/dbraw/zinc/94/01/32/587940132.db2.gz DXMLRKGRWSGEKZ-SNVBAGLBSA-N 2 0 239.338 1.719 20 10 BDCDRP CCOc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1O ZINC000841049208 587940316 /nfs/dbraw/zinc/94/03/16/587940316.db2.gz OCTWTHFJTCBRPQ-JTQLQIEISA-N 2 0 238.331 1.475 20 10 BDCDRP Cc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1O ZINC000841077097 587943620 /nfs/dbraw/zinc/94/36/20/587943620.db2.gz ZFARDFFBOUIUCR-VHSXEESVSA-N 2 0 208.305 1.526 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000841077028 587943709 /nfs/dbraw/zinc/94/37/09/587943709.db2.gz WYKWVLSLLHCHFD-ZJUUUORDSA-N 2 0 208.305 1.526 20 10 BDCDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000843127422 588082447 /nfs/dbraw/zinc/08/24/47/588082447.db2.gz DGHDTVQYNBBWRQ-DTWKUNHWSA-N 2 0 226.295 1.747 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000843128162 588085090 /nfs/dbraw/zinc/08/50/90/588085090.db2.gz IIJBBYWEMVXPEG-WDEREUQCSA-N 2 0 222.332 1.916 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843127259 588085263 /nfs/dbraw/zinc/08/52/63/588085263.db2.gz PCQWBTMSVVHONB-JSGCOSHPSA-N 2 0 246.354 1.884 20 10 BDCDRP C[NH2+][C@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000128903564 591176899 /nfs/dbraw/zinc/17/68/99/591176899.db2.gz QESXCKGNCGGCAM-NSHDSACASA-N 2 0 236.315 1.195 20 10 BDCDRP CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(O)c1 ZINC000906507818 638178828 /nfs/dbraw/zinc/17/88/28/638178828.db2.gz DMZXLCPSEYSNEM-XYPYZODXSA-N 2 0 236.315 1.370 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+]C1CC([NH3+])C1 ZINC000906510558 638184071 /nfs/dbraw/zinc/18/40/71/638184071.db2.gz LPWUDMQZPKRRQH-UHFFFAOYSA-N 2 0 233.359 1.640 20 10 BDCDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000044535358 640402042 /nfs/dbraw/zinc/40/20/42/640402042.db2.gz BTCPKWITVRYGRB-LBPRGKRZSA-N 2 0 234.343 1.824 20 10 BDCDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC000228534721 640879030 /nfs/dbraw/zinc/87/90/30/640879030.db2.gz QWWVLFDTKNSXHH-MRVWCRGKSA-N 2 0 246.354 1.951 20 10 BDCDRP Cc1ccc(O)c(CN2CC[C@H]([NH3+])C2)c1 ZINC000070955778 643087232 /nfs/dbraw/zinc/08/72/32/643087232.db2.gz BYUBOSAJIOSZQM-NSHDSACASA-N 2 0 206.289 1.234 20 10 BDCDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245445 643660511 /nfs/dbraw/zinc/66/05/11/643660511.db2.gz RAMYRSLSFKUJMQ-JTQLQIEISA-N 2 0 236.315 1.181 20 10 BDCDRP COc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245444 643661682 /nfs/dbraw/zinc/66/16/82/643661682.db2.gz RAMYRSLSFKUJMQ-SNVBAGLBSA-N 2 0 236.315 1.181 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000251658209 644815031 /nfs/dbraw/zinc/81/50/31/644815031.db2.gz GTFRCGNUOGDCCG-SWLSCSKDSA-N 2 0 247.386 1.922 20 10 BDCDRP COc1ccc(O)c(C[N@H+](C)CCC[NH3+])c1 ZINC000227745211 711832770 /nfs/dbraw/zinc/83/27/70/711832770.db2.gz ONDDSJZVJDOWSJ-UHFFFAOYSA-N 2 0 224.304 1.181 20 10 BDCDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000723670799 710731566 /nfs/dbraw/zinc/73/15/66/710731566.db2.gz PBNLBSPZXOHZMW-SNVBAGLBSA-N 2 0 238.306 1.702 20 10 BDCDRP CN(C)c1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000384735022 710953199 /nfs/dbraw/zinc/95/31/99/710953199.db2.gz BWWYOWLVIIEMCB-UHFFFAOYSA-N 2 0 233.359 1.674 20 10 BDCDRP C[N@H+](Cc1cc(F)ccc1O)C1CC([NH3+])C1 ZINC000395011850 711199542 /nfs/dbraw/zinc/19/95/42/711199542.db2.gz UWAVZIFFURJKAS-UHFFFAOYSA-N 2 0 224.279 1.453 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CC[NH2+]1 ZINC000709372056 712220620 /nfs/dbraw/zinc/22/06/20/712220620.db2.gz SYVZTLIIAKYDFZ-JQWIXIFHSA-N 2 0 220.316 1.622 20 10 BDCDRP COc1ccc(O)c(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384936132 712706518 /nfs/dbraw/zinc/70/65/18/712706518.db2.gz DLQYFZHNKNMXNO-UHFFFAOYSA-N 2 0 236.315 1.322 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC[NH2+]1 ZINC001246237746 972243350 /nfs/dbraw/zinc/24/33/50/972243350.db2.gz BXBKDTABZVPVBT-ONGXEEELSA-N 2 0 236.315 1.328 20 10 BDCDRP C[C@H]1C[C@H]([N@@H+]2CCc3cccc(O)c3C2)CC[NH2+]1 ZINC001246870596 973253776 /nfs/dbraw/zinc/25/37/76/973253776.db2.gz VXTAIAIMPCCBJC-WCQYABFASA-N 2 0 246.354 1.891 20 10 BDCDRP CC1([NH2+]Cc2ccc(N)cc2)CC[NH2+]CC1 ZINC001334775477 976642400 /nfs/dbraw/zinc/64/24/00/976642400.db2.gz YXDRYSLKABYHOT-UHFFFAOYSA-N 2 0 219.332 1.501 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC001335288131 976929599 /nfs/dbraw/zinc/92/95/99/976929599.db2.gz DNZDXVMAVLVUEB-WCQYABFASA-N 2 0 219.332 1.486 20 10 BDCDRP CC[C@@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC001336286198 977614533 /nfs/dbraw/zinc/61/45/33/977614533.db2.gz OLRAFEYBVLLPBU-TZMCWYRMSA-N 2 0 233.359 1.828 20 10 BDCDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001336284932 977614876 /nfs/dbraw/zinc/61/48/76/977614876.db2.gz DXKONDUVQGTBMB-ZJUUUORDSA-N 2 0 207.321 1.484 20 10 BDCDRP Nc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC001337838255 978521205 /nfs/dbraw/zinc/52/12/05/978521205.db2.gz MWEGYITZQJGLFV-UHFFFAOYSA-N 2 0 219.332 1.628 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1O ZINC001345100670 980548036 /nfs/dbraw/zinc/54/80/36/980548036.db2.gz USKRMWJVLVMJTR-VIFPVBQESA-N 2 0 242.750 1.991 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+]CCCC[NH3+])c1 ZINC001348515834 981377738 /nfs/dbraw/zinc/37/77/38/981377738.db2.gz QIZGNNNTTUAIFP-UHFFFAOYSA-N 2 0 238.331 1.619 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC001352788136 982578746 /nfs/dbraw/zinc/57/87/46/982578746.db2.gz DBEWNIAXPIFPQA-TZMCWYRMSA-N 2 0 233.359 1.876 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC001356083524 983570455 /nfs/dbraw/zinc/57/04/55/983570455.db2.gz QYQLHGYPNSELIU-LBPRGKRZSA-N 2 0 219.332 1.440 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000692161739 985640007 /nfs/dbraw/zinc/64/00/07/985640007.db2.gz QPMROOJYOUYADP-JSGCOSHPSA-N 2 0 247.386 1.983 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246466614 987826075 /nfs/dbraw/zinc/82/60/75/987826075.db2.gz PQNZZYLEZKMLOS-AWEZNQCLSA-N 2 0 233.359 1.543 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001118122431 988026547 /nfs/dbraw/zinc/02/65/47/988026547.db2.gz WTXWLGFKGBANEA-CMPLNLGQSA-N 2 0 234.343 1.825 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC001325321349 989156754 /nfs/dbraw/zinc/15/67/54/989156754.db2.gz VLNODWDKAHWZFH-JTQLQIEISA-N 2 0 238.331 1.346 20 10 BDCDRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N)cc1 ZINC001120268396 989622435 /nfs/dbraw/zinc/62/24/35/989622435.db2.gz DHIPQJVDIYXVOU-GXFFZTMASA-N 2 0 219.332 1.580 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC001120269703 989624209 /nfs/dbraw/zinc/62/42/09/989624209.db2.gz ZJIZDJFDUXNREN-CYBMUJFWSA-N 2 0 219.332 1.501 20 10 BDCDRP Cc1cccc(C[NH2+]CCC[NH+](C)C)c1O ZINC000083352240 191007180 /nfs/dbraw/zinc/00/71/80/191007180.db2.gz GYRPETILDPFIRR-UHFFFAOYSA-N 2 0 222.332 1.742 20 10 BDCDRP [NH3+]C1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000051694469 181341780 /nfs/dbraw/zinc/34/17/80/181341780.db2.gz CYJFVYKTDUWOSR-UHFFFAOYSA-N 2 0 246.354 1.981 20 10 BDCDRP C[NH+](C)CCC[NH2+]Cc1ccccc1O ZINC000019958357 384561824 /nfs/dbraw/zinc/56/18/24/384561824.db2.gz MULAZUQKYDJFFW-UHFFFAOYSA-N 2 0 208.305 1.434 20 10 BDCDRP C[NH+](C)CCC[NH2+]Cc1cc(F)ccc1O ZINC000083354765 384763339 /nfs/dbraw/zinc/76/33/39/384763339.db2.gz XVQFOPHOHPFFMX-UHFFFAOYSA-N 2 0 226.295 1.573 20 10 BDCDRP C[NH+](C)CCC[N@H+](C)Cc1ccccc1O ZINC000168104452 385348402 /nfs/dbraw/zinc/34/84/02/385348402.db2.gz CCGSYEROEDGLOG-UHFFFAOYSA-N 2 0 222.332 1.776 20 10 BDCDRP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccc1O ZINC000902413455 584599865 /nfs/dbraw/zinc/59/98/65/584599865.db2.gz LUNYUARXBGEEPQ-SECBINFHSA-N 2 0 206.289 1.534 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000904405399 584878349 /nfs/dbraw/zinc/87/83/49/584878349.db2.gz HBWLQDNSLUPFDQ-LBPRGKRZSA-N 2 0 234.343 1.871 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C[NH3+] ZINC000904411546 584879829 /nfs/dbraw/zinc/87/98/29/584879829.db2.gz MELHORFVXSZWOO-VXGBXAGGSA-N 2 0 234.343 1.809 20 10 BDCDRP [NH3+]C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000817965612 584993052 /nfs/dbraw/zinc/99/30/52/584993052.db2.gz YHUSPAYQXXMOHX-LLVKDONJSA-N 2 0 232.327 1.851 20 10 BDCDRP Cc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000775747939 585683670 /nfs/dbraw/zinc/68/36/70/585683670.db2.gz PAXXTTJBRJZWOI-CHWSQXEVSA-N 2 0 232.327 1.352 20 10 BDCDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817958211 586850850 /nfs/dbraw/zinc/85/08/50/586850850.db2.gz SZESUKHNLPPXMO-DOMZBBRYSA-N 2 0 247.386 1.789 20 10 BDCDRP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC000817977180 586861427 /nfs/dbraw/zinc/86/14/27/586861427.db2.gz DHIHXVWLBQTNSS-KZVDOYCCSA-N 2 0 232.327 1.651 20 10 BDCDRP Oc1cccc2c1[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000817977856 586861935 /nfs/dbraw/zinc/86/19/35/586861935.db2.gz QRFQEIQFPYKSDP-BBGACYKPSA-N 2 0 230.311 1.187 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1O ZINC000841033565 587936871 /nfs/dbraw/zinc/93/68/71/587936871.db2.gz VOIHJPHFCGQSIA-GFCCVEGCSA-N 2 0 234.343 1.790 20 10 BDCDRP COc1cccc(CNC[C@H]2CCC[NH2+]2)c1O ZINC000841035150 587937337 /nfs/dbraw/zinc/93/73/37/587937337.db2.gz IGIFXMBYPZWZQH-LLVKDONJSA-N 2 0 236.315 1.242 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000841047764 587939352 /nfs/dbraw/zinc/93/93/52/587939352.db2.gz CMCXAJHRCDXWQJ-LLVKDONJSA-N 2 0 235.375 1.745 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000841051413 587939860 /nfs/dbraw/zinc/93/98/60/587939860.db2.gz PAQCZYMILWDBNO-UHFFFAOYSA-N 2 0 220.316 1.672 20 10 BDCDRP COc1cccc(C[NH2+][C@@H](C)CC[NH3+])c1O ZINC000841050997 587940009 /nfs/dbraw/zinc/94/00/09/587940009.db2.gz MFACBJSNIOFSLA-VIFPVBQESA-N 2 0 224.304 1.228 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841048704 587940295 /nfs/dbraw/zinc/94/02/95/587940295.db2.gz KZZXZSWBOPQLDM-MUBLQREKSA-N 2 0 247.386 1.950 20 10 BDCDRP CC1(C[NH2+]Cc2ccccc2O)CC[NH2+]CC1 ZINC000841056306 587940762 /nfs/dbraw/zinc/94/07/62/587940762.db2.gz DQIJMVYBKJHZMH-UHFFFAOYSA-N 2 0 234.343 1.872 20 10 BDCDRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841058002 587940790 /nfs/dbraw/zinc/94/07/90/587940790.db2.gz DPJGAQOAFIYNQC-BXUZGUMPSA-N 2 0 246.354 1.709 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CC[NH2+]1 ZINC000841062932 587941682 /nfs/dbraw/zinc/94/16/82/587941682.db2.gz ZMOZHXMWGBPUSZ-CABZTGNLSA-N 2 0 238.306 1.761 20 10 BDCDRP COc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1O ZINC000841080711 587945043 /nfs/dbraw/zinc/94/50/43/587945043.db2.gz QAPHWWKOFKXCRY-DTWKUNHWSA-N 2 0 224.304 1.226 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000841078752 587945052 /nfs/dbraw/zinc/94/50/52/587945052.db2.gz KBAJKYSVMOODHJ-AWEZNQCLSA-N 2 0 246.354 1.932 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000841080760 587945187 /nfs/dbraw/zinc/94/51/87/587945187.db2.gz QHSHZOVPKPUGJE-UWVGGRQHSA-N 2 0 238.331 1.616 20 10 BDCDRP C[N@H+](Cc1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC000843045106 588076183 /nfs/dbraw/zinc/07/61/83/588076183.db2.gz IIHVSBJFDRUEMZ-UHFFFAOYSA-N 2 0 238.306 1.715 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120191 588082725 /nfs/dbraw/zinc/08/27/25/588082725.db2.gz PUHSEXGTIYMWMT-UHFFFAOYSA-N 2 0 246.354 1.968 20 10 BDCDRP CCN(CC[NH3+])Cc1c(O)cccc1OC ZINC000863645251 589307032 /nfs/dbraw/zinc/30/70/32/589307032.db2.gz UCACXGHOMIUNHY-UHFFFAOYSA-N 2 0 224.304 1.181 20 10 BDCDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1O ZINC000873252853 590009141 /nfs/dbraw/zinc/00/91/41/590009141.db2.gz WNBKXIXRKZEJIZ-MXWKQRLJSA-N 2 0 220.316 1.780 20 10 BDCDRP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3O)CC[C@H]21 ZINC000877742722 590407849 /nfs/dbraw/zinc/40/78/49/590407849.db2.gz GCUHFCBXDZEHPR-GXTWGEPZSA-N 2 0 246.354 1.918 20 10 BDCDRP C[N@H+](CCC[NH3+])Cc1cc(F)ccc1O ZINC000220232091 592292005 /nfs/dbraw/zinc/29/20/05/592292005.db2.gz JVJLLNPFJSBTCO-UHFFFAOYSA-N 2 0 212.268 1.312 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000084946453 631454414 /nfs/dbraw/zinc/45/44/14/631454414.db2.gz GTFRCGNUOGDCCG-DOMZBBRYSA-N 2 0 247.386 1.922 20 10 BDCDRP Cc1ccc(O)c(C[NH+]2CCC([NH3+])CC2)c1 ZINC000070955763 643085718 /nfs/dbraw/zinc/08/57/18/643085718.db2.gz SMFLLOMGBAPMGT-UHFFFAOYSA-N 2 0 220.316 1.624 20 10 BDCDRP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1N(C)C ZINC000923361242 644386400 /nfs/dbraw/zinc/38/64/00/644386400.db2.gz HCKWTSYAZSVFKQ-UHFFFAOYSA-N 2 0 247.386 1.983 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000724060885 711558908 /nfs/dbraw/zinc/55/89/08/711558908.db2.gz XVHKWDSERYZAKT-KBPBESRZSA-N 2 0 247.386 1.970 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000708890253 712202591 /nfs/dbraw/zinc/20/25/91/712202591.db2.gz WJQNWTIBOMHSNB-MWLCHTKSSA-N 2 0 238.306 1.558 20 10 BDCDRP [NH3+][C@@H]1CCN(c2ccc(C3([NH3+])CCC3)cc2)C1 ZINC001164281460 965826094 /nfs/dbraw/zinc/82/60/94/965826094.db2.gz DEGVVUVAZAYQKU-GFCCVEGCSA-N 2 0 231.343 1.562 20 10 BDCDRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@H]2C1 ZINC001203563365 966689848 /nfs/dbraw/zinc/68/98/48/966689848.db2.gz ZRQMQJNOMCMXIS-ZIAGYGMSSA-N 2 0 246.354 1.776 20 10 BDCDRP C[C@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001205317942 967532955 /nfs/dbraw/zinc/53/29/55/967532955.db2.gz QXLSHAPMSMURMJ-WCQYABFASA-N 2 0 233.359 1.686 20 10 BDCDRP Cc1ccc(C)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206058604 968026015 /nfs/dbraw/zinc/02/60/15/968026015.db2.gz IXTSTZMKFXBBMG-DGCLKSJQSA-N 2 0 234.343 1.788 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccccc1O ZINC001327414736 972571501 /nfs/dbraw/zinc/57/15/01/972571501.db2.gz DPXIYZJAGGVZDG-JTQLQIEISA-N 2 0 208.305 1.480 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(N)cc1 ZINC001335290455 976933505 /nfs/dbraw/zinc/93/35/05/976933505.db2.gz XQHCFUZRVFWBHK-JTQLQIEISA-N 2 0 207.321 1.356 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1CC[NH3+] ZINC001337838757 978522406 /nfs/dbraw/zinc/52/24/06/978522406.db2.gz SHSHXHQZYQHKES-DGCLKSJQSA-N 2 0 233.359 1.686 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237410092 979886889 /nfs/dbraw/zinc/88/68/89/979886889.db2.gz BJLVEFHMFJTGGD-DZGCQCFKSA-N 2 0 245.370 1.843 20 10 BDCDRP CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(N)cc1 ZINC001356082692 983569777 /nfs/dbraw/zinc/56/97/77/983569777.db2.gz CHAACYZJRZJSAF-GFCCVEGCSA-N 2 0 221.348 1.732 20 10 BDCDRP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N)cc1 ZINC001356082910 983570242 /nfs/dbraw/zinc/57/02/42/983570242.db2.gz HMAWKOXSCSYRIL-RISCZKNCSA-N 2 0 233.359 1.971 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001120370691 989638871 /nfs/dbraw/zinc/63/88/71/989638871.db2.gz DMIFOOCYBKCMMR-QWHCGFSZSA-N 2 0 219.332 1.628 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000841062473 584126312 /nfs/dbraw/zinc/12/63/12/584126312.db2.gz XDYVJAZUXKFROK-BXUZGUMPSA-N 2 0 246.354 1.852 20 10 BDCDRP COc1ccc(O)c(C[NH2+]CCC(C)(C)[NH3+])c1 ZINC000903938871 584824546 /nfs/dbraw/zinc/82/45/46/584824546.db2.gz NZUFJRMUDVDJOP-UHFFFAOYSA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1cccc(C[NH2+]CCC(C)(C)[NH3+])c1O ZINC000903938509 584826120 /nfs/dbraw/zinc/82/61/20/584826120.db2.gz FGBKTXHQTLHNBV-UHFFFAOYSA-N 2 0 222.332 1.918 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1O ZINC000903973406 584832705 /nfs/dbraw/zinc/83/27/05/584832705.db2.gz CPRVBEBBWISDMU-VXGBXAGGSA-N 2 0 234.343 1.727 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000903964593 584834065 /nfs/dbraw/zinc/83/40/65/584834065.db2.gz MFEABWUITSJWEL-RISCZKNCSA-N 2 0 246.354 1.567 20 10 BDCDRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817978605 584993860 /nfs/dbraw/zinc/99/38/60/584993860.db2.gz CEHFCWGPQGTLNP-QXEWZRGKSA-N 2 0 220.316 1.705 20 10 BDCDRP Cc1cc(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000770395094 585573689 /nfs/dbraw/zinc/57/36/89/585573689.db2.gz OOPJACQIPRKUSF-OKILXGFUSA-N 2 0 246.354 1.660 20 10 BDCDRP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1C[NH2+]C1 ZINC000817902009 586836426 /nfs/dbraw/zinc/83/64/26/586836426.db2.gz GPSPWEHLIQSBMW-JTQLQIEISA-N 2 0 232.327 1.319 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817962472 586847040 /nfs/dbraw/zinc/84/70/40/586847040.db2.gz MTBXEYZVGZKRDF-IUCAKERBSA-N 2 0 226.295 1.777 20 10 BDCDRP CC[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817957017 586850359 /nfs/dbraw/zinc/85/03/59/586850359.db2.gz HKBQBXIIDREOTA-CABCVRRESA-N 2 0 247.386 1.932 20 10 BDCDRP Cc1ccc(O)c([C@@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000817965389 586854397 /nfs/dbraw/zinc/85/43/97/586854397.db2.gz PWCHNBBLLQLKIZ-SNVBAGLBSA-N 2 0 220.316 1.571 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817970469 586857293 /nfs/dbraw/zinc/85/72/93/586857293.db2.gz WJACFWVYUHCUSC-RTXFEEFZSA-N 2 0 246.354 1.967 20 10 BDCDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817973263 586860252 /nfs/dbraw/zinc/86/02/52/586860252.db2.gz RXESBEBXFNSXGY-DTWKUNHWSA-N 2 0 224.304 1.399 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1O ZINC000817979264 586861208 /nfs/dbraw/zinc/86/12/08/586861208.db2.gz JFSCAKVVELTULP-NXEZZACHSA-N 2 0 208.305 1.780 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1O ZINC000841048313 587939249 /nfs/dbraw/zinc/93/92/49/587939249.db2.gz HHCBCSBDZOQTTR-MRVPVSSYSA-N 2 0 228.723 1.730 20 10 BDCDRP COc1cccc(C[NH2+]CC2([NH3+])CCC2)c1O ZINC000841050526 587940152 /nfs/dbraw/zinc/94/01/52/587940152.db2.gz ICWZSYCAUKBFNO-UHFFFAOYSA-N 2 0 236.315 1.372 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000841061403 587942218 /nfs/dbraw/zinc/94/22/18/587942218.db2.gz IHTIKOBEDZSVDH-DGCLKSJQSA-N 2 0 234.343 1.931 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000841077025 587944383 /nfs/dbraw/zinc/94/43/83/587944383.db2.gz WYKWVLSLLHCHFD-NXEZZACHSA-N 2 0 208.305 1.526 20 10 BDCDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841080090 587944542 /nfs/dbraw/zinc/94/45/42/587944542.db2.gz NQKLOORZZCRVPY-LLVKDONJSA-N 2 0 234.343 1.839 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCCNC2)cc1 ZINC000843126658 588084835 /nfs/dbraw/zinc/08/48/35/588084835.db2.gz SFHVTBCJKYNXAB-ZDUSSCGKSA-N 2 0 219.332 1.153 20 10 BDCDRP [NH3+]C1(C[NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000849350395 588474943 /nfs/dbraw/zinc/47/49/43/588474943.db2.gz YGVIIIPQZCPEPN-UHFFFAOYSA-N 2 0 238.306 1.892 20 10 BDCDRP CC(C)[C@H](C[NH3+])C[NH2+]CCc1ccc(N)cc1 ZINC000873211128 589996100 /nfs/dbraw/zinc/99/61/00/589996100.db2.gz WDLVMGKZFIELLC-CYBMUJFWSA-N 2 0 235.375 1.632 20 10 BDCDRP Cc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000215984995 592000774 /nfs/dbraw/zinc/00/07/74/592000774.db2.gz XTAJWQDQEKRHGU-RYUDHWBXSA-N 2 0 234.343 1.870 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094338776 635298858 /nfs/dbraw/zinc/29/88/58/635298858.db2.gz OAVBSIDBEVAXJY-DGCLKSJQSA-N 2 0 234.343 1.870 20 10 BDCDRP [NH3+][C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000906508055 638178641 /nfs/dbraw/zinc/17/86/41/638178641.db2.gz JJWYSOKWIOPIDV-ZKCHVHJHSA-N 2 0 226.707 1.625 20 10 BDCDRP COc1ccc(O)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000090320618 644589172 /nfs/dbraw/zinc/58/91/72/644589172.db2.gz RFQOEOYBWYALQB-VXGBXAGGSA-N 2 0 248.326 1.052 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000251830935 644825293 /nfs/dbraw/zinc/82/52/93/644825293.db2.gz PNNFQMRBBZTXKA-CMPLNLGQSA-N 2 0 220.316 1.561 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817980865 644995230 /nfs/dbraw/zinc/99/52/30/644995230.db2.gz XQJKKTRMAGGVFJ-VHSXEESVSA-N 2 0 238.331 1.789 20 10 BDCDRP C[N@H+](Cc1ccccc1O)C[C@@]1(C)CC[NH2+]C1 ZINC000843060901 645257880 /nfs/dbraw/zinc/25/78/80/645257880.db2.gz RCGTVSAFOMJGEX-AWEZNQCLSA-N 2 0 234.343 1.824 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925694723 646420498 /nfs/dbraw/zinc/42/04/98/646420498.db2.gz SLGPPVGATGFYNY-KGLIPLIRSA-N 2 0 245.370 1.671 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000708875178 712202172 /nfs/dbraw/zinc/20/21/72/712202172.db2.gz OCGJOMOXPUERAL-ZYHUDNBSSA-N 2 0 220.316 1.419 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709789118 712226867 /nfs/dbraw/zinc/22/68/67/712226867.db2.gz HJTKSXDJNFRZJZ-OAHLLOKOSA-N 2 0 246.354 1.968 20 10 BDCDRP C[C@H]1C[N@H+](Cc2cc(O)ccc2O)C[C@H]1C[NH3+] ZINC001205140829 966025077 /nfs/dbraw/zinc/02/50/77/966025077.db2.gz OQSHOHNRHHRJSI-GXSJLCMTSA-N 2 0 236.315 1.124 20 10 BDCDRP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203563364 966691705 /nfs/dbraw/zinc/69/17/05/966691705.db2.gz ZRQMQJNOMCMXIS-OKILXGFUSA-N 2 0 246.354 1.776 20 10 BDCDRP C[C@@]1(C[NH2+]Cc2ccc(N)cc2)CCC[NH2+]C1 ZINC001120268494 968549853 /nfs/dbraw/zinc/54/98/53/968549853.db2.gz GFLFVYHTSNSLSR-CQSZACIVSA-N 2 0 233.359 1.748 20 10 BDCDRP Nc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC001352790068 982581284 /nfs/dbraw/zinc/58/12/84/982581284.db2.gz OGDLJPKMAZGBIV-GFCCVEGCSA-N 2 0 219.332 1.358 20 10 BDCDRP Nc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC001352790071 982581438 /nfs/dbraw/zinc/58/14/38/982581438.db2.gz OGDLJPKMAZGBIV-LBPRGKRZSA-N 2 0 219.332 1.358 20 10 BDCDRP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001579692030 986191461 /nfs/dbraw/zinc/19/14/61/986191461.db2.gz PDQOTMDBYGKNKN-HNNXBMFYSA-N 2 0 246.354 1.886 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CC[NH2+]1 ZINC001246318807 987724355 /nfs/dbraw/zinc/72/43/55/987724355.db2.gz VPWNLZVHHMEKLI-GXSJLCMTSA-N 2 0 236.315 1.328 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC001118020451 987981890 /nfs/dbraw/zinc/98/18/90/987981890.db2.gz WFLAFXRDLXHGNU-VIFPVBQESA-N 2 0 226.295 1.476 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001120263588 989622079 /nfs/dbraw/zinc/62/20/79/989622079.db2.gz SLBFGUALBDLJBX-GWCFXTLKSA-N 2 0 219.332 1.438 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC001328676216 991396865 /nfs/dbraw/zinc/39/68/65/991396865.db2.gz ACUPVBGOBKEZEZ-NSHDSACASA-N 2 0 222.332 1.646 20 10 BDCDRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)ccc1O ZINC000902485453 584625324 /nfs/dbraw/zinc/62/53/24/584625324.db2.gz KSQMHHWPJZLLBI-FXPVBKGRSA-N 2 0 238.306 1.919 20 10 BDCDRP Nc1ccc(CC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904354478 584870421 /nfs/dbraw/zinc/87/04/21/584870421.db2.gz ZSSLNJLASKUAIZ-BJHJDKERSA-N 2 0 219.332 1.138 20 10 BDCDRP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000817963208 584992595 /nfs/dbraw/zinc/99/25/95/584992595.db2.gz SJBPULAKGSWPIS-GHMZBOCLSA-N 2 0 222.332 1.946 20 10 BDCDRP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000817945623 586846347 /nfs/dbraw/zinc/84/63/47/586846347.db2.gz ICZSWODNQYKZKI-DGCLKSJQSA-N 2 0 246.354 1.969 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[N@@H+]1C ZINC000817956273 586849889 /nfs/dbraw/zinc/84/98/89/586849889.db2.gz VNRNFJXPDVJFOF-IUODEOHRSA-N 2 0 247.386 1.884 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817958166 586850324 /nfs/dbraw/zinc/85/03/24/586850324.db2.gz SQJQIEPUJHZVRD-UKRRQHHQSA-N 2 0 247.386 1.918 20 10 BDCDRP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)ccc1O ZINC000817960658 586851549 /nfs/dbraw/zinc/85/15/49/586851549.db2.gz PDLSIPLKROHPFS-MRVPVSSYSA-N 2 0 226.295 1.919 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817970467 586857363 /nfs/dbraw/zinc/85/73/63/586857363.db2.gz WJACFWVYUHCUSC-KGYLQXTDSA-N 2 0 246.354 1.967 20 10 BDCDRP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1O ZINC000817979265 586861223 /nfs/dbraw/zinc/86/12/23/586861223.db2.gz JFSCAKVVELTULP-UWVGGRQHSA-N 2 0 208.305 1.780 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000841029387 587936114 /nfs/dbraw/zinc/93/61/14/587936114.db2.gz OAOMOLPDQTVICH-UHFFFAOYSA-N 2 0 247.386 1.903 20 10 BDCDRP Cc1cc(O)c(C[NH2+]C2CC[NH2+]CC2)cc1C ZINC000841026847 587936232 /nfs/dbraw/zinc/93/62/32/587936232.db2.gz SKHPGLQFCDTPMV-UHFFFAOYSA-N 2 0 234.343 1.851 20 10 BDCDRP CC(C)([NH3+])C[NH2+]Cc1cc(Cl)ccc1O ZINC000841031575 587936706 /nfs/dbraw/zinc/93/67/06/587936706.db2.gz WTQMKZMUJNGGEU-UHFFFAOYSA-N 2 0 228.723 1.873 20 10 BDCDRP COc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1O ZINC000841048536 587939390 /nfs/dbraw/zinc/93/93/90/587939390.db2.gz JYPUNIMBHXISPA-VIFPVBQESA-N 2 0 224.304 1.085 20 10 BDCDRP CCOc1ccc(C[NH2+][C@H](C)CC[NH3+])c(O)c1 ZINC000841050925 587939749 /nfs/dbraw/zinc/93/97/49/587939749.db2.gz KZJSINUUOMNDLW-SNVBAGLBSA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841061560 587941384 /nfs/dbraw/zinc/94/13/84/587941384.db2.gz KCIHKRWJMGXLTK-YPMHNXCESA-N 2 0 234.343 1.931 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000841064477 587941836 /nfs/dbraw/zinc/94/18/36/587941836.db2.gz RBRFBUOKNYBATM-AAEUAGOBSA-N 2 0 234.343 1.788 20 10 BDCDRP Cc1cccc(C[NH2+]C2(C)CC[NH2+]CC2)c1O ZINC000841065725 587942552 /nfs/dbraw/zinc/94/25/52/587942552.db2.gz TZCQUMYWJAQZRZ-UHFFFAOYSA-N 2 0 234.343 1.932 20 10 BDCDRP CCOc1cccc(C[NH2+]C[C@@H]([NH3+])CC)c1O ZINC000841071709 587943512 /nfs/dbraw/zinc/94/35/12/587943512.db2.gz JGMUGFZEVLUWRZ-NSHDSACASA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000841085173 587945675 /nfs/dbraw/zinc/94/56/75/587945675.db2.gz WBTPIRFYPQIGLQ-YPMHNXCESA-N 2 0 234.343 1.918 20 10 BDCDRP C[NH2+]CCC[N@H+](C)Cc1cccc(C)c1O ZINC000841104103 587946295 /nfs/dbraw/zinc/94/62/95/587946295.db2.gz NNDITGSSTXCVHL-UHFFFAOYSA-N 2 0 222.332 1.742 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000843128159 588084972 /nfs/dbraw/zinc/08/49/72/588084972.db2.gz IIJBBYWEMVXPEG-QWRGUYRKSA-N 2 0 222.332 1.916 20 10 BDCDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CC[NH2+]C1 ZINC000843351322 588102536 /nfs/dbraw/zinc/10/25/36/588102536.db2.gz KBHZUHXEZWKBGY-ZDUSSCGKSA-N 2 0 245.370 1.507 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848714491 588408102 /nfs/dbraw/zinc/40/81/02/588408102.db2.gz CACFCXXDWSPVOR-UONOGXRCSA-N 2 0 233.359 1.671 20 10 BDCDRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1O ZINC000863547929 589298237 /nfs/dbraw/zinc/29/82/37/589298237.db2.gz SJTOBKWZUNLZAW-NSHDSACASA-N 2 0 238.331 1.408 20 10 BDCDRP [NH3+]C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128320433 590978742 /nfs/dbraw/zinc/97/87/42/590978742.db2.gz SIHJNYDOUYHRCI-VIFPVBQESA-N 2 0 240.734 1.826 20 10 BDCDRP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000132023958 591683183 /nfs/dbraw/zinc/68/31/83/591683183.db2.gz UEIYFHYEABVRON-CQSZACIVSA-N 2 0 247.386 1.842 20 10 BDCDRP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1O ZINC000139130677 592369471 /nfs/dbraw/zinc/36/94/71/592369471.db2.gz QPJXFTPYOACMNH-SECBINFHSA-N 2 0 208.305 1.780 20 10 BDCDRP Oc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000162935668 633043099 /nfs/dbraw/zinc/04/30/99/633043099.db2.gz AEQWHIYBHPQMED-LLVKDONJSA-N 2 0 220.316 1.481 20 10 BDCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044527755 640401110 /nfs/dbraw/zinc/40/11/10/640401110.db2.gz MBRGPNPEIUXUBT-AWEZNQCLSA-N 2 0 247.386 1.923 20 10 BDCDRP C[C@@H]([NH2+]CCC[NH3+])c1cc(F)ccc1O ZINC000087111384 640846024 /nfs/dbraw/zinc/84/60/24/640846024.db2.gz LPQXSLNNOIYLIP-MRVPVSSYSA-N 2 0 212.268 1.531 20 10 BDCDRP C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000253189193 711764374 /nfs/dbraw/zinc/76/43/74/711764374.db2.gz KFVCFYCSMTYJDP-DGCLKSJQSA-N 2 0 234.343 1.809 20 10 BDCDRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000703547806 712078930 /nfs/dbraw/zinc/07/89/30/712078930.db2.gz KXHQJHALRSUZBF-GXTWGEPZSA-N 2 0 232.327 1.434 20 10 BDCDRP C[C@@H](CC[NH2+]Cc1ccccc1O)[NH+](C)C ZINC000697884609 964607074 /nfs/dbraw/zinc/60/70/74/964607074.db2.gz ATRVLMGKIVBHJJ-NSHDSACASA-N 2 0 222.332 1.822 20 10 BDCDRP CN1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001256210970 970716916 /nfs/dbraw/zinc/71/69/16/970716916.db2.gz OZKIIDGVWRKDKP-UHFFFAOYSA-N 2 0 246.354 1.845 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1ccccc1O ZINC001327414738 972569877 /nfs/dbraw/zinc/56/98/77/972569877.db2.gz DPXIYZJAGGVZDG-SNVBAGLBSA-N 2 0 208.305 1.480 20 10 BDCDRP C[N@H+](Cc1ccc(N)cc1)C1CCC([NH3+])CC1 ZINC001335285803 976924232 /nfs/dbraw/zinc/92/42/32/976924232.db2.gz RAOYMBVKHNOCOM-UHFFFAOYSA-N 2 0 233.359 1.971 20 10 BDCDRP Nc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC001335287754 976927507 /nfs/dbraw/zinc/92/75/07/976927507.db2.gz APTQPRVNXIOAMF-UHFFFAOYSA-N 2 0 233.359 1.830 20 10 BDCDRP C[C@H]([NH2+]Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001336285371 977613497 /nfs/dbraw/zinc/61/34/97/977613497.db2.gz LHVQVLZPAQVWKW-WCQYABFASA-N 2 0 233.359 1.747 20 10 BDCDRP Nc1ccc(CNC[C@H]2CCCC[NH2+]2)cc1 ZINC001345159463 980569225 /nfs/dbraw/zinc/56/92/25/980569225.db2.gz HANWSTLJYODUGB-CYBMUJFWSA-N 2 0 219.332 1.501 20 10 BDCDRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001580423048 986842881 /nfs/dbraw/zinc/84/28/81/986842881.db2.gz NFHBNQQPSCVWFW-BETUJISGSA-N 2 0 232.327 1.591 20 10 BDCDRP Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC001246318749 987723208 /nfs/dbraw/zinc/72/32/08/987723208.db2.gz UBBMCMMOSPESMX-FOSCPWQOSA-N 2 0 248.326 1.470 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[NH2+]1 ZINC001246465650 987825105 /nfs/dbraw/zinc/82/51/05/987825105.db2.gz LBVPCZXWEFLBHM-SMDDNHRTSA-N 2 0 233.359 1.541 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC001118020450 987988965 /nfs/dbraw/zinc/98/89/65/987988965.db2.gz WFLAFXRDLXHGNU-SECBINFHSA-N 2 0 226.295 1.476 20 10 BDCDRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC001246865764 988617180 /nfs/dbraw/zinc/61/71/80/988617180.db2.gz RADGSWGKRQVYBX-DGCLKSJQSA-N 2 0 234.343 1.965 20 10 BDCDRP CC1(C[NH2+]Cc2ccc(N)cc2)CC[NH2+]CC1 ZINC001262488297 992894143 /nfs/dbraw/zinc/89/41/43/992894143.db2.gz XRSVUCDXSXBXHU-UHFFFAOYSA-N 2 0 233.359 1.748 20 10 BDCDRP CN(Cc1ccc(N)cc1)CC(C)(C)[NH3+] ZINC001262487777 992894201 /nfs/dbraw/zinc/89/42/01/992894201.db2.gz FOCDJOJSOXEBOI-UHFFFAOYSA-N 2 0 207.321 1.438 20 10 BDCDRP [NH3+]C1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000051692974 181341242 /nfs/dbraw/zinc/34/12/42/181341242.db2.gz ZYRBJZUOANLEPU-UHFFFAOYSA-N 2 0 220.316 1.752 20 10 BDCDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000216058656 583169427 /nfs/dbraw/zinc/16/94/27/583169427.db2.gz JZIPFPQVEOOPHS-TZMCWYRMSA-N 2 0 247.386 1.922 20 10 BDCDRP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1ccc(N)cc1 ZINC000841037873 584081147 /nfs/dbraw/zinc/08/11/47/584081147.db2.gz CQHDNMUNQXCDQL-CQSZACIVSA-N 2 0 235.375 1.774 20 10 BDCDRP C[C@@H](NCc1cc(F)ccc1O)[C@H](C)[NH3+] ZINC000841076374 584742769 /nfs/dbraw/zinc/74/27/69/584742769.db2.gz GPROOTBQXCIIBI-JGVFFNPUSA-N 2 0 212.268 1.357 20 10 BDCDRP C[C@@]1(C[NH2+]CCc2ccc(N)cc2)CCC[NH2+]C1 ZINC000904353631 584870405 /nfs/dbraw/zinc/87/04/05/584870405.db2.gz PJZUTIWMAUMXBB-OAHLLOKOSA-N 2 0 247.386 1.791 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817980647 584994501 /nfs/dbraw/zinc/99/45/01/584994501.db2.gz WFAXKQLJADDYJS-MNOVXSKESA-N 2 0 220.316 1.706 20 10 BDCDRP COc1cccc(O)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000770396042 585573887 /nfs/dbraw/zinc/57/38/87/585573887.db2.gz YEDGDTPMKQPWST-GHMZBOCLSA-N 2 0 248.326 1.052 20 10 BDCDRP Oc1cccc2c1[C@@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000817941788 586845191 /nfs/dbraw/zinc/84/51/91/586845191.db2.gz RRWVHZBFXUGTPC-ZDUSSCGKSA-N 2 0 246.354 1.969 20 10 BDCDRP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)ccc1O ZINC000817965969 586855678 /nfs/dbraw/zinc/85/56/78/586855678.db2.gz XSUNLGJHIFGGPC-UFBFGSQYSA-N 2 0 238.306 1.919 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c(O)c1 ZINC000817972749 586859717 /nfs/dbraw/zinc/85/97/17/586859717.db2.gz OHQSCDVPTLQXCD-ZJUUUORDSA-N 2 0 208.305 1.698 20 10 BDCDRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817977618 586859886 /nfs/dbraw/zinc/85/98/86/586859886.db2.gz LRJWHDWNULJTKD-VGMNWLOBSA-N 2 0 226.295 1.918 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000817977105 586860054 /nfs/dbraw/zinc/86/00/54/586860054.db2.gz BIKYSOBCTZOOGZ-UTLUCORTSA-N 2 0 238.331 1.787 20 10 BDCDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817978193 586861506 /nfs/dbraw/zinc/86/15/06/586861506.db2.gz XYIVZXFHGNSNBC-XFOOOJQKSA-N 2 0 248.326 1.269 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000841026551 587935754 /nfs/dbraw/zinc/93/57/54/587935754.db2.gz ICTRLIMHLWPVPX-UHFFFAOYSA-N 2 0 220.316 1.542 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000841041428 587938292 /nfs/dbraw/zinc/93/82/92/587938292.db2.gz FYRQVJZMSILBAG-UHFFFAOYSA-N 2 0 235.375 1.760 20 10 BDCDRP COc1ccc(O)c(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000841048132 587939377 /nfs/dbraw/zinc/93/93/77/587939377.db2.gz BWEHSUKCJZRXDL-LBPRGKRZSA-N 2 0 236.315 1.228 20 10 BDCDRP C[C@H](CC[NH3+])[NH2+]Cc1c(O)cccc1Cl ZINC000841052450 587939648 /nfs/dbraw/zinc/93/96/48/587939648.db2.gz XCYCCKJCYKHKGJ-MRVPVSSYSA-N 2 0 228.723 1.873 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000841049666 587939685 /nfs/dbraw/zinc/93/96/85/587939685.db2.gz GKVGVCUBNADOPM-LBPRGKRZSA-N 2 0 235.375 1.888 20 10 BDCDRP Cc1cc(O)c(C[NH2+]CC2([NH3+])CCC2)cc1C ZINC000841051616 587939777 /nfs/dbraw/zinc/93/97/77/587939777.db2.gz RFRSRPSRQCETCU-UHFFFAOYSA-N 2 0 234.343 1.980 20 10 BDCDRP [NH3+][C@H](C[NH2+]Cc1ccccc1O)C1CC1 ZINC000841050652 587939835 /nfs/dbraw/zinc/93/98/35/587939835.db2.gz RQGWAYCEVQBBLD-LLVKDONJSA-N 2 0 206.289 1.219 20 10 BDCDRP COc1cccc(O)c1C[NH2+][C@@H](C)CC[NH3+] ZINC000841052047 587940023 /nfs/dbraw/zinc/94/00/23/587940023.db2.gz UEQJDLWDOXDERU-VIFPVBQESA-N 2 0 224.304 1.228 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)ccc1O ZINC000841072288 587943839 /nfs/dbraw/zinc/94/38/39/587943839.db2.gz NLGKSRGEWQLZCV-LLVKDONJSA-N 2 0 208.305 1.528 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1O ZINC000841077663 587944604 /nfs/dbraw/zinc/94/46/04/587944604.db2.gz BCCRMKKRIKRDSO-CYBMUJFWSA-N 2 0 246.354 1.932 20 10 BDCDRP CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c(O)c1 ZINC000841078646 587944934 /nfs/dbraw/zinc/94/49/34/587944934.db2.gz GNVWEEQIQCRZJC-UWVGGRQHSA-N 2 0 238.331 1.616 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000841080769 587944964 /nfs/dbraw/zinc/94/49/64/587944964.db2.gz QHSHZOVPKPUGJE-ZJUUUORDSA-N 2 0 238.331 1.616 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000841080765 587944973 /nfs/dbraw/zinc/94/49/73/587944973.db2.gz QHSHZOVPKPUGJE-VHSXEESVSA-N 2 0 238.331 1.616 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000843048453 588075738 /nfs/dbraw/zinc/07/57/38/588075738.db2.gz WPOPDEJEMZBGAX-NSHDSACASA-N 2 0 220.316 1.481 20 10 BDCDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000843048553 588077382 /nfs/dbraw/zinc/07/73/82/588077382.db2.gz GZTFFYQYJPKGMJ-LBPRGKRZSA-N 2 0 234.343 1.790 20 10 BDCDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000843053507 588077387 /nfs/dbraw/zinc/07/73/87/588077387.db2.gz ZKXWJCAHBPXWNJ-LBPRGKRZSA-N 2 0 234.343 1.742 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843127258 588085153 /nfs/dbraw/zinc/08/51/53/588085153.db2.gz PCQWBTMSVVHONB-GXTWGEPZSA-N 2 0 246.354 1.884 20 10 BDCDRP COc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1O ZINC000843129821 588085778 /nfs/dbraw/zinc/08/57/78/588085778.db2.gz RPBWINLHBNCPQD-VHSXEESVSA-N 2 0 238.331 1.616 20 10 BDCDRP [NH3+]CC1(CC[NH2+]Cc2ccccc2O)CC1 ZINC000844901141 588218837 /nfs/dbraw/zinc/21/88/37/588218837.db2.gz FKRBVNDZSAPVAH-UHFFFAOYSA-N 2 0 220.316 1.611 20 10 BDCDRP Cc1cccc(C[N@H+](C)CCOCC[NH3+])c1O ZINC000863649582 589306692 /nfs/dbraw/zinc/30/66/92/589306692.db2.gz ASKWZEFUOXVTKB-UHFFFAOYSA-N 2 0 238.331 1.108 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000310808023 632998046 /nfs/dbraw/zinc/99/80/46/632998046.db2.gz AJKSTMUXXCREEQ-OAHLLOKOSA-N 2 0 246.354 1.886 20 10 BDCDRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1O ZINC000168844905 640828448 /nfs/dbraw/zinc/82/84/48/640828448.db2.gz LCYJMLUNZJSYGT-CMPLNLGQSA-N 2 0 220.316 1.704 20 10 BDCDRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1O ZINC000168845000 640829115 /nfs/dbraw/zinc/82/91/15/640829115.db2.gz LCYJMLUNZJSYGT-PWSUYJOCSA-N 2 0 220.316 1.704 20 10 BDCDRP Cc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228065278 640858677 /nfs/dbraw/zinc/85/86/77/640858677.db2.gz XTAJWQDQEKRHGU-NEPJUHHUSA-N 2 0 234.343 1.870 20 10 BDCDRP COc1ccc(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320617 644588961 /nfs/dbraw/zinc/58/89/61/644588961.db2.gz RFQOEOYBWYALQB-TXEJJXNPSA-N 2 0 248.326 1.052 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000381309960 710620524 /nfs/dbraw/zinc/62/05/24/710620524.db2.gz CSJMYALGJNEVFZ-OCCSQVGLSA-N 2 0 246.354 1.884 20 10 BDCDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000168515131 711684499 /nfs/dbraw/zinc/68/44/99/711684499.db2.gz KXMIPCKVRURRCB-MNOVXSKESA-N 2 0 220.316 1.561 20 10 BDCDRP C[C@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000136140338 711687631 /nfs/dbraw/zinc/68/76/31/711687631.db2.gz QVWRGMHZGVQRTM-LLVKDONJSA-N 2 0 234.343 1.839 20 10 BDCDRP CC1([NH3+])CC[NH+](Cc2ccccc2O)CC1 ZINC000704570533 712112224 /nfs/dbraw/zinc/11/22/24/712112224.db2.gz BSWLJYPKUHIJQZ-UHFFFAOYSA-N 2 0 220.316 1.705 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@]1(C)C[NH3+] ZINC000379751581 712397370 /nfs/dbraw/zinc/39/73/70/712397370.db2.gz NHDOJTYMMVTPFD-BXUZGUMPSA-N 2 0 234.343 1.809 20 10 BDCDRP Nc1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1 ZINC001345159464 980568925 /nfs/dbraw/zinc/56/89/25/980568925.db2.gz HANWSTLJYODUGB-ZDUSSCGKSA-N 2 0 219.332 1.501 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1C[NH3+] ZINC000708887428 960078761 /nfs/dbraw/zinc/07/87/61/960078761.db2.gz FGHXRQZRYOIYEW-GXSJLCMTSA-N 2 0 236.315 1.124 20 10 BDCDRP Cc1ccc(O)c(C[N@H+](C)CCOCC[NH3+])c1 ZINC000699524614 965936729 /nfs/dbraw/zinc/93/67/29/965936729.db2.gz QSNCJIWEKCXLOT-UHFFFAOYSA-N 2 0 238.331 1.108 20 10 BDCDRP Cc1cccc(O)c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235991066 966208909 /nfs/dbraw/zinc/20/89/09/966208909.db2.gz NYJHRYPOFMSKBR-RISCZKNCSA-N 2 0 232.327 1.624 20 10 BDCDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001203558321 966692894 /nfs/dbraw/zinc/69/28/94/966692894.db2.gz DNFSRACHHXMMBK-UKRRQHHQSA-N 2 0 246.354 1.776 20 10 BDCDRP Cc1cccc(O)c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206738240 968451465 /nfs/dbraw/zinc/45/14/65/968451465.db2.gz XZPJUYYAIKGREZ-UHFFFAOYSA-N 2 0 220.316 1.481 20 10 BDCDRP C[C@H]([NH2+]Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001336285369 977615420 /nfs/dbraw/zinc/61/54/20/977615420.db2.gz LHVQVLZPAQVWKW-AAEUAGOBSA-N 2 0 233.359 1.747 20 10 BDCDRP Oc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314024 979524085 /nfs/dbraw/zinc/52/40/85/979524085.db2.gz GLYDIHVWTLPEIG-BETUJISGSA-N 2 0 246.354 1.824 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1c(O)cccc1OC ZINC001345100992 980548952 /nfs/dbraw/zinc/54/89/52/980548952.db2.gz YFZODANSUVBAFD-SNVBAGLBSA-N 2 0 238.331 1.488 20 10 BDCDRP C[C@@H]([NH2+]Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001352789964 982580123 /nfs/dbraw/zinc/58/01/23/982580123.db2.gz LYCATBGHJRRGHA-LLVKDONJSA-N 2 0 233.359 1.747 20 10 BDCDRP COc1cc(C)cc(C[NH2+]C(C)(C)C[NH3+])c1O ZINC001579144866 985813514 /nfs/dbraw/zinc/81/35/14/985813514.db2.gz JWJRQIGMGQOADK-UHFFFAOYSA-N 2 0 238.331 1.536 20 10 BDCDRP Cc1ccc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001579696751 986192048 /nfs/dbraw/zinc/19/20/48/986192048.db2.gz DAIOQJHSOXVDJU-WCQYABFASA-N 2 0 234.343 1.918 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC001326036702 989338848 /nfs/dbraw/zinc/33/88/48/989338848.db2.gz UDWHVIOLMQNYLF-WDEREUQCSA-N 2 0 222.332 1.898 20 10 BDCDRP CCOc1ccc(C[NH2+]CCCC[NH3+])c(O)c1 ZINC001326075184 989363164 /nfs/dbraw/zinc/36/31/64/989363164.db2.gz IJHWMZVXNDQJBF-UHFFFAOYSA-N 2 0 238.331 1.619 20 10 BDCDRP Nc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC001120269704 989624272 /nfs/dbraw/zinc/62/42/72/989624272.db2.gz ZJIZDJFDUXNREN-ZDUSSCGKSA-N 2 0 219.332 1.501 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(N)cc1 ZINC001120371034 989642864 /nfs/dbraw/zinc/64/28/64/989642864.db2.gz NGIMHKQWVIGYKQ-SNVBAGLBSA-N 2 0 207.321 1.214 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(N)cc1 ZINC001120371033 989643165 /nfs/dbraw/zinc/64/31/65/989643165.db2.gz NGIMHKQWVIGYKQ-JTQLQIEISA-N 2 0 207.321 1.214 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001120370687 989643239 /nfs/dbraw/zinc/64/32/39/989643239.db2.gz DMIFOOCYBKCMMR-CHWSQXEVSA-N 2 0 219.332 1.628 20 10 BDCDRP COc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC000383285247 993487645 /nfs/dbraw/zinc/48/76/45/993487645.db2.gz LWMRUONMZPJVNT-BXKDBHETSA-N 2 0 236.315 1.322 20 10 BDCDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000848562147 582803517 /nfs/dbraw/zinc/80/35/17/582803517.db2.gz HIDPDRVMFYDUGD-BJHJDKERSA-N 2 0 234.343 1.822 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000841037908 584081420 /nfs/dbraw/zinc/08/14/20/584081420.db2.gz CRKSWPLLSJDFBS-AWEZNQCLSA-N 2 0 233.359 1.543 20 10 BDCDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301103 584861308 /nfs/dbraw/zinc/86/13/08/584861308.db2.gz GTQJNCRHLPPXRD-XBXGTLAGSA-N 2 0 245.370 1.635 20 10 BDCDRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1O ZINC000817936704 584991642 /nfs/dbraw/zinc/99/16/42/584991642.db2.gz QCWHHMJSBHJMIP-SNVBAGLBSA-N 2 0 220.316 1.795 20 10 BDCDRP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1O ZINC000817965576 584993275 /nfs/dbraw/zinc/99/32/75/584993275.db2.gz XWEYINIHASEUJJ-SNVBAGLBSA-N 2 0 220.316 1.924 20 10 BDCDRP Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000817945624 586846505 /nfs/dbraw/zinc/84/65/05/586846505.db2.gz ICZSWODNQYKZKI-WCQYABFASA-N 2 0 246.354 1.969 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000817962473 586847871 /nfs/dbraw/zinc/84/78/71/586847871.db2.gz MTBXEYZVGZKRDF-RKDXNWHRSA-N 2 0 226.295 1.777 20 10 BDCDRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc(N)cc1 ZINC000817957061 586850667 /nfs/dbraw/zinc/85/06/67/586850667.db2.gz IDBGCSNCBGXYLX-LBPRGKRZSA-N 2 0 235.375 1.918 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817958108 586850800 /nfs/dbraw/zinc/85/08/00/586850800.db2.gz SEEMBMQCGVCCCZ-GXTWGEPZSA-N 2 0 233.359 1.528 20 10 BDCDRP C[C@H]([NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817971824 586859553 /nfs/dbraw/zinc/85/95/53/586859553.db2.gz HJPICKYIAZJNQD-WPRPVWTQSA-N 2 0 206.289 1.316 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000817977104 586860075 /nfs/dbraw/zinc/86/00/75/586860075.db2.gz BIKYSOBCTZOOGZ-GUBZILKMSA-N 2 0 238.331 1.787 20 10 BDCDRP C[C@H]1C[C@@H](C[NH2+]CCc2ccc(N)cc2)CC[NH2+]1 ZINC000841037596 587937840 /nfs/dbraw/zinc/93/78/40/587937840.db2.gz AZTURAPXUIGATL-JSGCOSHPSA-N 2 0 247.386 1.789 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000841061404 587941279 /nfs/dbraw/zinc/94/12/79/587941279.db2.gz IHTIKOBEDZSVDH-WCQYABFASA-N 2 0 234.343 1.931 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000841076991 587944488 /nfs/dbraw/zinc/94/44/88/587944488.db2.gz VXYKDLPITNOBDF-BDAKNGLRSA-N 2 0 224.304 1.226 20 10 BDCDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841084148 587945901 /nfs/dbraw/zinc/94/59/01/587945901.db2.gz HKDNGDCPOISSTM-FZMZJTMJSA-N 2 0 246.354 1.839 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000843048452 588076009 /nfs/dbraw/zinc/07/60/09/588076009.db2.gz WPOPDEJEMZBGAX-LLVKDONJSA-N 2 0 220.316 1.481 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000843124825 588083304 /nfs/dbraw/zinc/08/33/04/588083304.db2.gz ICGCMKQLTKAPHW-UHFFFAOYSA-N 2 0 247.386 1.983 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000843128158 588085171 /nfs/dbraw/zinc/08/51/71/588085171.db2.gz IIJBBYWEMVXPEG-MNOVXSKESA-N 2 0 222.332 1.916 20 10 BDCDRP Oc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843128409 588085260 /nfs/dbraw/zinc/08/52/60/588085260.db2.gz XIWBZYLWGVMNDS-UHFFFAOYSA-N 2 0 246.354 1.968 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848714492 588407812 /nfs/dbraw/zinc/40/78/12/588407812.db2.gz CACFCXXDWSPVOR-ZIAGYGMSSA-N 2 0 233.359 1.671 20 10 BDCDRP CCN(CC[NH3+])Cc1cccc(F)c1O ZINC000863644528 589306681 /nfs/dbraw/zinc/30/66/81/589306681.db2.gz ZIRIHGNBZYPXTG-UHFFFAOYSA-N 2 0 212.268 1.312 20 10 BDCDRP Nc1ccc(CC[NH2+]CC2(C[NH3+])CC2)cc1 ZINC000873210425 589995583 /nfs/dbraw/zinc/99/55/83/589995583.db2.gz FXNCQGYLNAYHKU-UHFFFAOYSA-N 2 0 219.332 1.140 20 10 BDCDRP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000873216480 589997898 /nfs/dbraw/zinc/99/78/98/589997898.db2.gz OYGPUCCPENJIIT-DGCLKSJQSA-N 2 0 234.343 1.727 20 10 BDCDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000126809436 590458460 /nfs/dbraw/zinc/45/84/60/590458460.db2.gz IZIWIZHNIOPASS-JSGCOSHPSA-N 2 0 247.386 1.922 20 10 BDCDRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219733602 592240528 /nfs/dbraw/zinc/24/05/28/592240528.db2.gz VAYMPJVOXRVFIO-JTQLQIEISA-N 2 0 238.306 1.702 20 10 BDCDRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000050245320 631972417 /nfs/dbraw/zinc/97/24/17/631972417.db2.gz KCNDKUWEZBKHIO-JTQLQIEISA-N 2 0 206.289 1.173 20 10 BDCDRP CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000034823188 635823904 /nfs/dbraw/zinc/82/39/04/635823904.db2.gz ORYCNLBBJNAPCM-UHFFFAOYSA-N 2 0 247.386 1.938 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508598 638181846 /nfs/dbraw/zinc/18/18/46/638181846.db2.gz RJXTZKXJTUOEGJ-XYPYZODXSA-N 2 0 236.315 1.370 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1O ZINC000083353521 643435704 /nfs/dbraw/zinc/43/57/04/643435704.db2.gz MOOJVPRZFHJBOH-UHFFFAOYSA-N 2 0 224.304 1.100 20 10 BDCDRP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245222 643661860 /nfs/dbraw/zinc/66/18/60/643661860.db2.gz AVHGSBPQJOVSIQ-ZDUSSCGKSA-N 2 0 233.359 1.533 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817980862 644995123 /nfs/dbraw/zinc/99/51/23/644995123.db2.gz XQJKKTRMAGGVFJ-NXEZZACHSA-N 2 0 238.331 1.789 20 10 BDCDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1O ZINC000220338095 645890386 /nfs/dbraw/zinc/89/03/86/645890386.db2.gz XHYBWYSVKBHVCD-ZJUUUORDSA-N 2 0 238.306 1.700 20 10 BDCDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000723712723 711535503 /nfs/dbraw/zinc/53/55/03/711535503.db2.gz RNROPVYEDNSJPK-LLVKDONJSA-N 2 0 220.316 1.563 20 10 BDCDRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1C ZINC000258658610 711739888 /nfs/dbraw/zinc/73/98/88/711739888.db2.gz BMGZGCWKZVDBQH-SNVBAGLBSA-N 2 0 222.332 1.688 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000708823704 712199861 /nfs/dbraw/zinc/19/98/61/712199861.db2.gz VYHOOXKTICEUQP-GXTWGEPZSA-N 2 0 247.386 1.779 20 10 BDCDRP CC[C@H]([NH2+]CCC[NH3+])c1ccccc1O ZINC000037713317 712745061 /nfs/dbraw/zinc/74/50/61/712745061.db2.gz ODXVMZVIXUVJNO-NSHDSACASA-N 2 0 208.305 1.782 20 10 BDCDRP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC001205095248 967339383 /nfs/dbraw/zinc/33/93/83/967339383.db2.gz WFADTZOIQVSNPN-GFCCVEGCSA-N 2 0 220.316 1.705 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001328678548 973268903 /nfs/dbraw/zinc/26/89/03/973268903.db2.gz YGQBZPGACXZMBC-NSHDSACASA-N 2 0 236.359 1.949 20 10 BDCDRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(O)ccc1O ZINC001205076798 965497251 /nfs/dbraw/zinc/49/72/51/965497251.db2.gz WCQRDDMGAFCNHF-ONGXEEELSA-N 2 0 236.315 1.409 20 10 BDCDRP [NH3+][C@H]1CC[N@H+](Cc2ccccc2O)CC[C@@H]1F ZINC001206154034 974314884 /nfs/dbraw/zinc/31/48/84/974314884.db2.gz GLRFEOSAXRILHI-RYUDHWBXSA-N 2 0 238.306 1.653 20 10 BDCDRP C[C@@H]([NH2+]Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001336285372 977614111 /nfs/dbraw/zinc/61/41/11/977614111.db2.gz LHVQVLZPAQVWKW-YPMHNXCESA-N 2 0 233.359 1.747 20 10 BDCDRP Nc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001337838758 978524428 /nfs/dbraw/zinc/52/44/28/978524428.db2.gz SMOVKVYAMPGRMP-UHFFFAOYSA-N 2 0 245.370 1.844 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235002939 978948788 /nfs/dbraw/zinc/94/87/88/978948788.db2.gz YPEGEJLMZZQAAW-OAHLLOKOSA-N 2 0 245.370 1.844 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC001356083523 983569863 /nfs/dbraw/zinc/56/98/63/983569863.db2.gz QYQLHGYPNSELIU-GFCCVEGCSA-N 2 0 219.332 1.440 20 10 BDCDRP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1C[NH2+]C1 ZINC000686220786 985090379 /nfs/dbraw/zinc/09/03/79/985090379.db2.gz YWABALFTSQBXIR-LLVKDONJSA-N 2 0 233.359 1.450 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[NH2+]1 ZINC001246465647 987825926 /nfs/dbraw/zinc/82/59/26/987825926.db2.gz LBVPCZXWEFLBHM-RISCZKNCSA-N 2 0 233.359 1.541 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1c(O)cccc1OC ZINC001117953177 987968077 /nfs/dbraw/zinc/96/80/77/987968077.db2.gz BVPVGQPXMPHNRD-JTQLQIEISA-N 2 0 238.331 1.346 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325321308 989154936 /nfs/dbraw/zinc/15/49/36/989154936.db2.gz ULLQYCQEJCOJCD-CYBMUJFWSA-N 2 0 247.386 1.971 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325321309 989158134 /nfs/dbraw/zinc/15/81/34/989158134.db2.gz ULLQYCQEJCOJCD-ZDUSSCGKSA-N 2 0 247.386 1.971 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(C)ccc1O ZINC001261370420 992280092 /nfs/dbraw/zinc/28/00/92/992280092.db2.gz JABKTMMOERXPPL-NSHDSACASA-N 2 0 222.332 1.788 20 10 BDCDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC000292865467 173166746 /nfs/dbraw/zinc/16/67/46/173166746.db2.gz VUMHBBWDSLANHH-HNNXBMFYSA-N 2 0 246.354 1.920 20 10 BDCDRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000857226543 588896098 /nfs/dbraw/zinc/89/60/98/588896098.db2.gz QUCPGBJOYHLZPH-TZMCWYRMSA-N 2 0 232.327 1.705 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817963906 584992905 /nfs/dbraw/zinc/99/29/05/584992905.db2.gz YBKNCGLKGQRWFR-KOLCDFICSA-N 2 0 220.316 1.564 20 10 BDCDRP C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCC[NH2+]1 ZINC000817958524 586850345 /nfs/dbraw/zinc/85/03/45/586850345.db2.gz WPLYWENEEABAMI-SMDDNHRTSA-N 2 0 233.359 1.541 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c(O)c1 ZINC000817962049 586852877 /nfs/dbraw/zinc/85/28/77/586852877.db2.gz HFEPSGURSZGYAX-QWRGUYRKSA-N 2 0 222.332 1.946 20 10 BDCDRP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000817978091 586862030 /nfs/dbraw/zinc/86/20/30/586862030.db2.gz VTXAHTMJVUGNRM-FJJYHAOUSA-N 2 0 246.354 1.877 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CC[NH3+] ZINC000841049664 587940263 /nfs/dbraw/zinc/94/02/63/587940263.db2.gz GKVGVCUBNADOPM-GFCCVEGCSA-N 2 0 235.375 1.888 20 10 BDCDRP Cc1cc(O)c(C[NH2+]C[C@H](C)C[NH3+])cc1C ZINC000841049161 587940267 /nfs/dbraw/zinc/94/02/67/587940267.db2.gz NSYAIFODCBSVCW-SECBINFHSA-N 2 0 222.332 1.693 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841064836 587941315 /nfs/dbraw/zinc/94/13/15/587941315.db2.gz VBXQWEFJYCLMGO-BXKDBHETSA-N 2 0 238.306 1.619 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])CC)c1 ZINC000841069920 587942909 /nfs/dbraw/zinc/94/29/09/587942909.db2.gz HOWSRQNTPHYAGZ-NSHDSACASA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1O ZINC000841077096 587943740 /nfs/dbraw/zinc/94/37/40/587943740.db2.gz ZFARDFFBOUIUCR-UWVGGRQHSA-N 2 0 208.305 1.526 20 10 BDCDRP COc1cccc(O)c1C[NH+]1CCC([NH3+])CC1 ZINC000843047337 588075880 /nfs/dbraw/zinc/07/58/80/588075880.db2.gz LXLNXXLJEPBVOY-UHFFFAOYSA-N 2 0 236.315 1.324 20 10 BDCDRP CN(C)c1ccc(C[N@H+](C)CCC[NH3+])cc1F ZINC000843051096 588077215 /nfs/dbraw/zinc/07/72/15/588077215.db2.gz UURQPDMXRLQYSP-UHFFFAOYSA-N 2 0 239.338 1.672 20 10 BDCDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CC[NH2+]C1 ZINC000843351320 588102623 /nfs/dbraw/zinc/10/26/23/588102623.db2.gz KBHZUHXEZWKBGY-CYBMUJFWSA-N 2 0 245.370 1.507 20 10 BDCDRP [NH3+]CC1(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000844900629 588218911 /nfs/dbraw/zinc/21/89/11/588218911.db2.gz BSDMAKBFGRIJOU-UHFFFAOYSA-N 2 0 246.354 1.840 20 10 BDCDRP CCN(CC[NH3+])Cc1cccc(Cl)c1[O-] ZINC000863644362 589306841 /nfs/dbraw/zinc/30/68/41/589306841.db2.gz SVDQKIPTOGSZJA-UHFFFAOYSA-N 2 0 228.723 1.826 20 10 BDCDRP C[C@@H]([NH3+])CN(C)Cc1cccc(Cl)c1[O-] ZINC000863651323 589307044 /nfs/dbraw/zinc/30/70/44/589307044.db2.gz GMVTWGXHUMMTLW-MRVPVSSYSA-N 2 0 228.723 1.825 20 10 BDCDRP Cc1cccc(O)c1C[NH2+]CCC[NH+](C)C ZINC000876886888 590254199 /nfs/dbraw/zinc/25/41/99/590254199.db2.gz CVCRZQKOLWRYTC-UHFFFAOYSA-N 2 0 222.332 1.742 20 10 BDCDRP Cc1ccc(O)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000126870698 590477617 /nfs/dbraw/zinc/47/76/17/590477617.db2.gz RIACFKIKJZPWHG-NEPJUHHUSA-N 2 0 234.343 1.870 20 10 BDCDRP C[NH2+][C@@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000128903347 591176810 /nfs/dbraw/zinc/17/68/10/591176810.db2.gz QESXCKGNCGGCAM-LLVKDONJSA-N 2 0 236.315 1.195 20 10 BDCDRP C[N@H+](Cc1ccccc1O)C1CC[NH2+]CC1 ZINC000215950490 591999012 /nfs/dbraw/zinc/99/90/12/591999012.db2.gz JZNMQWSVEYANAO-UHFFFAOYSA-N 2 0 220.316 1.576 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1[NH3+] ZINC000300417483 592511997 /nfs/dbraw/zinc/51/19/97/592511997.db2.gz VKQVLPSAKUBEOS-BXKDBHETSA-N 2 0 238.306 1.700 20 10 BDCDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1O ZINC000220338285 635304686 /nfs/dbraw/zinc/30/46/86/635304686.db2.gz XHYBWYSVKBHVCD-VHSXEESVSA-N 2 0 238.306 1.700 20 10 BDCDRP C[C@H]([NH2+]CCC[NH3+])c1cc(F)ccc1O ZINC000087111383 640846074 /nfs/dbraw/zinc/84/60/74/640846074.db2.gz LPQXSLNNOIYLIP-QMMMGPOBSA-N 2 0 212.268 1.531 20 10 BDCDRP Cc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228065290 640859051 /nfs/dbraw/zinc/85/90/51/640859051.db2.gz XTAJWQDQEKRHGU-VXGBXAGGSA-N 2 0 234.343 1.870 20 10 BDCDRP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320544 644589235 /nfs/dbraw/zinc/58/92/35/644589235.db2.gz GDBKXUGGVFMKMQ-STQMWFEESA-N 2 0 232.327 1.352 20 10 BDCDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000843129252 645267027 /nfs/dbraw/zinc/26/70/27/645267027.db2.gz OOXYJMCUIMRRDC-NXEZZACHSA-N 2 0 208.305 1.608 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1O ZINC000843129554 645267116 /nfs/dbraw/zinc/26/71/16/645267116.db2.gz PPFDTAJXUVKKSN-QWRGUYRKSA-N 2 0 222.332 1.916 20 10 BDCDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000220341268 645890078 /nfs/dbraw/zinc/89/00/78/645890078.db2.gz VTFCCNWUMBNNPC-UWVGGRQHSA-N 2 0 238.306 1.700 20 10 BDCDRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000723670796 710731114 /nfs/dbraw/zinc/73/11/14/710731114.db2.gz PBNLBSPZXOHZMW-JTQLQIEISA-N 2 0 238.306 1.702 20 10 BDCDRP Cc1cc(F)cc(CN(C)C[C@H](C)[NH3+])c1O ZINC001236909241 979794056 /nfs/dbraw/zinc/79/40/56/979794056.db2.gz RDMVXHIVTWBRHE-VIFPVBQESA-N 2 0 226.295 1.619 20 10 BDCDRP [NH3+][C@@H]1CCN(c2ccc(C3([NH3+])CC3)cc2)C1 ZINC001164281704 965825581 /nfs/dbraw/zinc/82/55/81/965825581.db2.gz KYMSOGDORCNUEB-LLVKDONJSA-N 2 0 217.316 1.172 20 10 BDCDRP CCc1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235176964 966026653 /nfs/dbraw/zinc/02/66/53/966026653.db2.gz ZMQLDTPWESLAEU-DZGCQCFKSA-N 2 0 246.354 1.878 20 10 BDCDRP C[C@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC001205317940 967532290 /nfs/dbraw/zinc/53/22/90/967532290.db2.gz QXLSHAPMSMURMJ-AAEUAGOBSA-N 2 0 233.359 1.686 20 10 BDCDRP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001205917518 967882407 /nfs/dbraw/zinc/88/24/07/967882407.db2.gz ZPSVWAHVZXVTRF-WCQYABFASA-N 2 0 233.359 1.828 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC001335288129 976926716 /nfs/dbraw/zinc/92/67/16/976926716.db2.gz DNZDXVMAVLVUEB-DGCLKSJQSA-N 2 0 219.332 1.486 20 10 BDCDRP [NH3+]C1CC([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001336325235 977631731 /nfs/dbraw/zinc/63/17/31/977631731.db2.gz OYAWGCPRGFBJEW-UHFFFAOYSA-N 2 0 245.370 1.866 20 10 BDCDRP Cc1cccc(O)c1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235082336 978970843 /nfs/dbraw/zinc/97/08/43/978970843.db2.gz RZEYMRVLDUIJGQ-CHWSQXEVSA-N 2 0 232.327 1.637 20 10 BDCDRP CC[N@H+](CCCC[NH3+])Cc1ccccc1O ZINC001236044543 979338125 /nfs/dbraw/zinc/33/81/25/979338125.db2.gz NLCAVTYEBFWHRR-UHFFFAOYSA-N 2 0 222.332 1.953 20 10 BDCDRP Cc1cccc(CN(C)C[C@@H]2CCC[NH2+]2)c1O ZINC001236120674 979396396 /nfs/dbraw/zinc/39/63/96/979396396.db2.gz UZZZCZMEIFDDLZ-ZDUSSCGKSA-N 2 0 234.343 1.884 20 10 BDCDRP CCN(Cc1ccc(N(C)C)cc1)C[C@H](C)[NH3+] ZINC001236280185 979480128 /nfs/dbraw/zinc/48/01/28/979480128.db2.gz UQAVCRXKFOOPOL-LBPRGKRZSA-N 2 0 235.375 1.922 20 10 BDCDRP C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N)cc1 ZINC001356082911 983572563 /nfs/dbraw/zinc/57/25/63/983572563.db2.gz HMAWKOXSCSYRIL-SMDDNHRTSA-N 2 0 233.359 1.971 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+]CCCC[NH3+] ZINC001117953462 987969255 /nfs/dbraw/zinc/96/92/55/987969255.db2.gz HQVIKQWGEQDOJE-UHFFFAOYSA-N 2 0 235.375 1.890 20 10 BDCDRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccccc1O ZINC000049551971 343602031 /nfs/dbraw/zinc/60/20/31/343602031.db2.gz FZVJFKUZOJVXRQ-LLVKDONJSA-N 2 0 222.332 1.822 20 10 BDCDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC000292865473 188224566 /nfs/dbraw/zinc/22/45/66/188224566.db2.gz VUMHBBWDSLANHH-OAHLLOKOSA-N 2 0 246.354 1.920 20 10 BDCDRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccccc1O ZINC000853247761 588728732 /nfs/dbraw/zinc/72/87/32/588728732.db2.gz ZZNNFHOJPDHVCS-GFCCVEGCSA-N 2 0 222.332 1.855 20 10 BDCDRP CC[N@H+](CCC[NH3+])Cc1ccc(N(C)C)cc1 ZINC000841005498 584004170 /nfs/dbraw/zinc/00/41/70/584004170.db2.gz AADVGYWESOSUPT-UHFFFAOYSA-N 2 0 235.375 1.923 20 10 BDCDRP COc1ccc(O)c(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000841031047 584029157 /nfs/dbraw/zinc/02/91/57/584029157.db2.gz OQPIEHGPJLKLGF-UHFFFAOYSA-N 2 0 224.304 1.228 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000841037910 584081132 /nfs/dbraw/zinc/08/11/32/584081132.db2.gz CRKSWPLLSJDFBS-CQSZACIVSA-N 2 0 233.359 1.543 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000903964795 584834465 /nfs/dbraw/zinc/83/44/65/584834465.db2.gz RABNTNOLRKSFFK-KOLCDFICSA-N 2 0 238.306 1.476 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903967750 584834964 /nfs/dbraw/zinc/83/49/64/584834964.db2.gz NHXHXBLAEXETHZ-YPMHNXCESA-N 2 0 234.343 1.646 20 10 BDCDRP CC[C@@H](NCC[NH2+]C)c1ccccc1O ZINC000817952228 586848056 /nfs/dbraw/zinc/84/80/56/586848056.db2.gz OOWYECGDXMHXCP-LLVKDONJSA-N 2 0 208.305 1.652 20 10 BDCDRP C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCC[NH2+]1 ZINC000817958521 586850852 /nfs/dbraw/zinc/85/08/52/586850852.db2.gz WPLYWENEEABAMI-BXUZGUMPSA-N 2 0 233.359 1.541 20 10 BDCDRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817959135 586851907 /nfs/dbraw/zinc/85/19/07/586851907.db2.gz PODWISYSHDBUES-NWDGAFQWSA-N 2 0 234.343 1.952 20 10 BDCDRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)ccc1O ZINC000817964938 586854048 /nfs/dbraw/zinc/85/40/48/586854048.db2.gz JUOILRQNKSLOLU-MRVPVSSYSA-N 2 0 224.279 1.401 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817970470 586857993 /nfs/dbraw/zinc/85/79/93/586857993.db2.gz WJACFWVYUHCUSC-WXHSDQCUSA-N 2 0 246.354 1.967 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c(O)c1 ZINC000817972747 586859459 /nfs/dbraw/zinc/85/94/59/586859459.db2.gz OHQSCDVPTLQXCD-UWVGGRQHSA-N 2 0 208.305 1.698 20 10 BDCDRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H](C)[NH3+] ZINC000817977619 586859954 /nfs/dbraw/zinc/85/99/54/586859954.db2.gz LRJWHDWNULJTKD-YIZRAAEISA-N 2 0 226.295 1.918 20 10 BDCDRP Oc1cccc2c1[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000817977857 586861623 /nfs/dbraw/zinc/86/16/23/586861623.db2.gz QRFQEIQFPYKSDP-DEKYYXRVSA-N 2 0 230.311 1.187 20 10 BDCDRP Cc1cccc(C[NH2+]C2CC[NH2+]CC2)c1O ZINC000841026832 587935578 /nfs/dbraw/zinc/93/55/78/587935578.db2.gz RRFAFBFNBYEIRQ-UHFFFAOYSA-N 2 0 220.316 1.542 20 10 BDCDRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841028537 587936403 /nfs/dbraw/zinc/93/64/03/587936403.db2.gz BEPXDNDAURPTBT-UONOGXRCSA-N 2 0 246.354 1.839 20 10 BDCDRP Cc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1O ZINC000841036435 587938109 /nfs/dbraw/zinc/93/81/09/587938109.db2.gz NLHZPWXGIHQVDJ-GFCCVEGCSA-N 2 0 234.343 1.790 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1C ZINC000841076216 587944132 /nfs/dbraw/zinc/94/41/32/587944132.db2.gz CFHDZYPTDWVHOG-QWRGUYRKSA-N 2 0 222.332 1.834 20 10 BDCDRP CCOc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841077123 587944372 /nfs/dbraw/zinc/94/43/72/587944372.db2.gz AEMOYXWWBCJWCY-PJXYFTJBSA-N 2 0 248.326 1.098 20 10 BDCDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841084149 587945696 /nfs/dbraw/zinc/94/56/96/587945696.db2.gz HKDNGDCPOISSTM-RISCZKNCSA-N 2 0 246.354 1.839 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048427 588075786 /nfs/dbraw/zinc/07/57/86/588075786.db2.gz SZCAGGJMVUEUPG-ZDUSSCGKSA-N 2 0 247.386 1.842 20 10 BDCDRP COc1cccc(O)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048500 588076164 /nfs/dbraw/zinc/07/61/64/588076164.db2.gz CNJYAOGHLAIKCU-JTQLQIEISA-N 2 0 236.315 1.181 20 10 BDCDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000843127426 588081944 /nfs/dbraw/zinc/08/19/44/588081944.db2.gz DGHDTVQYNBBWRQ-RKDXNWHRSA-N 2 0 226.295 1.747 20 10 BDCDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1O ZINC000843129427 588082815 /nfs/dbraw/zinc/08/28/15/588082815.db2.gz OOXYJMCUIMRRDC-UWVGGRQHSA-N 2 0 208.305 1.608 20 10 BDCDRP COc1ccc(N2CC[C@@H]([NH2+]CCC[NH3+])C2)cc1 ZINC000849350541 588474702 /nfs/dbraw/zinc/47/47/02/588474702.db2.gz PSVAHAJVSHCNFF-GFCCVEGCSA-N 2 0 249.358 1.212 20 10 BDCDRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1O ZINC000873257993 590012252 /nfs/dbraw/zinc/01/22/52/590012252.db2.gz WNBKXIXRKZEJIZ-DCAQKATOSA-N 2 0 220.316 1.780 20 10 BDCDRP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(O)c1 ZINC000876817505 590245939 /nfs/dbraw/zinc/24/59/39/590245939.db2.gz IWENZNGTNGQQTM-BETUJISGSA-N 2 0 232.327 1.352 20 10 BDCDRP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC000877482853 590338035 /nfs/dbraw/zinc/33/80/35/590338035.db2.gz IRXKIQGSYRGHAK-OKILXGFUSA-N 2 0 246.354 1.694 20 10 BDCDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3O)CC[C@H]21 ZINC000877742725 590407962 /nfs/dbraw/zinc/40/79/62/590407962.db2.gz GCUHFCBXDZEHPR-TZMCWYRMSA-N 2 0 246.354 1.918 20 10 BDCDRP [NH3+]C[C@H]1CCCN1Cc1cc(F)ccc1O ZINC000220306067 592299383 /nfs/dbraw/zinc/29/93/83/592299383.db2.gz SQGNTHRSYZZBOD-LLVKDONJSA-N 2 0 224.279 1.454 20 10 BDCDRP CCC[N@H+](CCC[NH3+])Cc1ccccc1O ZINC000221636520 592433897 /nfs/dbraw/zinc/43/38/97/592433897.db2.gz NXKFDPJTYBOYND-UHFFFAOYSA-N 2 0 222.332 1.953 20 10 BDCDRP C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1[NH3+] ZINC000300417485 592511819 /nfs/dbraw/zinc/51/18/19/592511819.db2.gz VKQVLPSAKUBEOS-JOYOIKCWSA-N 2 0 238.306 1.700 20 10 BDCDRP CC[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000251901745 636764554 /nfs/dbraw/zinc/76/45/54/636764554.db2.gz WXJLLGPQUSDMTL-DGCLKSJQSA-N 2 0 234.343 1.951 20 10 BDCDRP CCOc1cccc(C[NH2+]C2CC([NH3+])C2)c1O ZINC000906510145 638183104 /nfs/dbraw/zinc/18/31/04/638183104.db2.gz NMTRHOPBYVWACR-UHFFFAOYSA-N 2 0 236.315 1.370 20 10 BDCDRP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000050245319 643661568 /nfs/dbraw/zinc/66/15/68/643661568.db2.gz KCNDKUWEZBKHIO-SNVBAGLBSA-N 2 0 206.289 1.173 20 10 BDCDRP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1C ZINC000084529857 643666174 /nfs/dbraw/zinc/66/61/74/643666174.db2.gz QRUIGOGKIRKQOJ-UHFFFAOYSA-N 2 0 234.343 1.845 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000724060887 711558841 /nfs/dbraw/zinc/55/88/41/711558841.db2.gz XVHKWDSERYZAKT-UONOGXRCSA-N 2 0 247.386 1.970 20 10 BDCDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000724090549 711560221 /nfs/dbraw/zinc/56/02/21/711560221.db2.gz SAZYQIYSHTUEAV-ZYHUDNBSSA-N 2 0 220.316 1.609 20 10 BDCDRP CNc1ccccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170904250 972077312 /nfs/dbraw/zinc/07/73/12/972077312.db2.gz MMQZZQRHDYPARK-LLVKDONJSA-N 2 0 208.309 1.164 20 10 BDCDRP CC(C)N(CCC[NH3+])c1ccc2c(c1)C[NH2+]C2 ZINC001164122572 965746473 /nfs/dbraw/zinc/74/64/73/965746473.db2.gz IXLLYASRIULVHV-UHFFFAOYSA-N 2 0 233.359 1.853 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1O ZINC001327415620 972571770 /nfs/dbraw/zinc/57/17/70/972571770.db2.gz KQQXUIAWCGPCBL-JTQLQIEISA-N 2 0 208.305 1.337 20 10 BDCDRP Nc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC001334755172 976622410 /nfs/dbraw/zinc/62/24/10/976622410.db2.gz YVUVAVFDVRIUOO-UHFFFAOYSA-N 2 0 219.332 1.487 20 10 BDCDRP Nc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC001334774492 976644791 /nfs/dbraw/zinc/64/47/91/976644791.db2.gz JZLQYSTWUJVOHP-CQSZACIVSA-N 2 0 233.359 1.891 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235002936 978946793 /nfs/dbraw/zinc/94/67/93/978946793.db2.gz YPEGEJLMZZQAAW-HNNXBMFYSA-N 2 0 245.370 1.844 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)CC[NH2+]1 ZINC001246168538 987531609 /nfs/dbraw/zinc/53/16/09/987531609.db2.gz FKPTUKBFTVHBBK-GWCFXTLKSA-N 2 0 219.332 1.499 20 10 BDCDRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N)cc1 ZINC001120268398 989622338 /nfs/dbraw/zinc/62/23/38/989622338.db2.gz DHIPQJVDIYXVOU-MFKMUULPSA-N 2 0 219.332 1.580 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CCC[NH+](C)C)c1 ZINC000070954889 188130551 /nfs/dbraw/zinc/13/05/51/188130551.db2.gz KQGONYKPOVJWTR-UHFFFAOYSA-N 2 0 222.332 1.742 20 10 BDCDRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179574646 385474387 /nfs/dbraw/zinc/47/43/87/385474387.db2.gz RCKDLEDGWWOTDM-LBPRGKRZSA-N 2 0 234.343 1.776 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000083350563 173349849 /nfs/dbraw/zinc/34/98/49/173349849.db2.gz AGPRXZIPTSYIAV-UHFFFAOYSA-N 2 0 220.316 1.321 20 10 BDCDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2O)CC1 ZINC000104136512 176754563 /nfs/dbraw/zinc/75/45/63/176754563.db2.gz YCBPLBAJGDFXCX-NSHDSACASA-N 2 0 234.343 1.951 20 10 BDCDRP C[NH2+]C[C@@H](C)NCc1ccc(OC)c(C)c1 ZINC000853250715 588729333 /nfs/dbraw/zinc/72/93/33/588729333.db2.gz YAJXOLHTHSUJRU-LLVKDONJSA-N 2 0 222.332 1.701 20 10 BDCDRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1O ZINC000902486692 584626191 /nfs/dbraw/zinc/62/61/91/584626191.db2.gz HUXYIJOJGGNHOC-GMTAPVOTSA-N 2 0 220.316 1.780 20 10 BDCDRP Cc1cc(C)c([C@H](C)[NH2+]CC2C[NH2+]C2)c(O)c1 ZINC000817964927 584992573 /nfs/dbraw/zinc/99/25/73/584992573.db2.gz JIYVYXMXAIFJOG-NSHDSACASA-N 2 0 234.343 1.879 20 10 BDCDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902095 586836530 /nfs/dbraw/zinc/83/65/30/586836530.db2.gz HZLRPDIFJKBNBF-QWRGUYRKSA-N 2 0 234.343 1.837 20 10 BDCDRP C[NH2+]CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000817939975 586844910 /nfs/dbraw/zinc/84/49/10/586844910.db2.gz IWIKVXHGSHYLHN-LLVKDONJSA-N 2 0 222.332 1.961 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817958167 586850765 /nfs/dbraw/zinc/85/07/65/586850765.db2.gz SQJQIEPUJHZVRD-ZFWWWQNUSA-N 2 0 247.386 1.918 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817958164 586850797 /nfs/dbraw/zinc/85/07/97/586850797.db2.gz SQJQIEPUJHZVRD-HIFRSBDPSA-N 2 0 247.386 1.918 20 10 BDCDRP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1O ZINC000817974006 586860065 /nfs/dbraw/zinc/86/00/65/586860065.db2.gz XIPRRAVLJKVWCY-ONGXEEELSA-N 2 0 208.305 1.780 20 10 BDCDRP [NH3+][C@@H](C[NH2+]Cc1ccccc1O)C1CC1 ZINC000841050654 587935272 /nfs/dbraw/zinc/93/52/72/587935272.db2.gz RQGWAYCEVQBBLD-NSHDSACASA-N 2 0 206.289 1.219 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1O ZINC000841031020 587936070 /nfs/dbraw/zinc/93/60/70/587936070.db2.gz QWKKRAHVTBSCSK-GFCCVEGCSA-N 2 0 222.332 1.774 20 10 BDCDRP C[NH2+]CCNCc1cc(Cl)cc(F)c1[O-] ZINC000841036821 587937451 /nfs/dbraw/zinc/93/74/51/587937451.db2.gz UWAOCVVLDVATSH-UHFFFAOYSA-N 2 0 232.686 1.494 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]Cc1c(O)cccc1Cl ZINC000841049157 587939851 /nfs/dbraw/zinc/93/98/51/587939851.db2.gz NRUSLVXXYPEHME-MRVPVSSYSA-N 2 0 228.723 1.730 20 10 BDCDRP CCOc1ccc(O)c(C[N@H+](C)CCC[NH3+])c1 ZINC000843051275 588077149 /nfs/dbraw/zinc/07/71/49/588077149.db2.gz VXNIUAPKZBKXJI-UHFFFAOYSA-N 2 0 238.331 1.572 20 10 BDCDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219964081 592268729 /nfs/dbraw/zinc/26/87/29/592268729.db2.gz VKKMXWZKILFJTH-JTQLQIEISA-N 2 0 238.306 1.573 20 10 BDCDRP [NH3+]C1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000220816759 592355984 /nfs/dbraw/zinc/35/59/84/592355984.db2.gz MLJJDTCLIBSINL-UHFFFAOYSA-N 2 0 238.306 1.891 20 10 BDCDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000310379971 635784535 /nfs/dbraw/zinc/78/45/35/635784535.db2.gz PIBZKIIYWGNPCA-ZDUSSCGKSA-N 2 0 238.306 1.702 20 10 BDCDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2O)C1 ZINC000309411904 633031140 /nfs/dbraw/zinc/03/11/40/633031140.db2.gz IZKPWVZLCZBCAW-ZDUSSCGKSA-N 2 0 220.316 1.563 20 10 BDCDRP Oc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000162941512 633043248 /nfs/dbraw/zinc/04/32/48/633043248.db2.gz PZELZDNXQQTQSV-LBPRGKRZSA-N 2 0 220.316 1.624 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258774056 635195103 /nfs/dbraw/zinc/19/51/03/635195103.db2.gz OIDADNNUZDDCTB-NSHDSACASA-N 2 0 234.343 1.696 20 10 BDCDRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000162936547 635204583 /nfs/dbraw/zinc/20/45/83/635204583.db2.gz YDQXZJVSTSZHGZ-RYUDHWBXSA-N 2 0 220.316 1.752 20 10 BDCDRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000906507777 638178886 /nfs/dbraw/zinc/17/88/86/638178886.db2.gz BVFDJBIZQAHBGP-HAQNSBGRSA-N 2 0 218.300 1.201 20 10 BDCDRP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1C ZINC000906510701 638183224 /nfs/dbraw/zinc/18/32/24/638183224.db2.gz RDTKJSGDRZSYRC-UHFFFAOYSA-N 2 0 220.316 1.583 20 10 BDCDRP CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906517041 638188057 /nfs/dbraw/zinc/18/80/57/638188057.db2.gz CUQVXPOELARUML-YTDVACHYSA-N 2 0 245.370 1.845 20 10 BDCDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000230125965 641032319 /nfs/dbraw/zinc/03/23/19/641032319.db2.gz QWWVLFDTKNSXHH-FPMFFAJLSA-N 2 0 246.354 1.951 20 10 BDCDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000070171413 642985249 /nfs/dbraw/zinc/98/52/49/642985249.db2.gz GAFVFCMGSBPYQS-RYUDHWBXSA-N 2 0 234.343 1.951 20 10 BDCDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000070798652 643070038 /nfs/dbraw/zinc/07/00/38/643070038.db2.gz KONNOAONTYZBHQ-LLVKDONJSA-N 2 0 220.316 1.434 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000070955785 643087440 /nfs/dbraw/zinc/08/74/40/643087440.db2.gz JSGGXZZHSJSTBG-LLVKDONJSA-N 2 0 220.316 1.481 20 10 BDCDRP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320321 643201789 /nfs/dbraw/zinc/20/17/89/643201789.db2.gz PSEWQDCDKADKLK-KBPBESRZSA-N 2 0 245.370 1.404 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000083352247 644404508 /nfs/dbraw/zinc/40/45/08/644404508.db2.gz QQUKAXNMBQTPNA-UHFFFAOYSA-N 2 0 222.332 1.703 20 10 BDCDRP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1O ZINC000843129550 645267562 /nfs/dbraw/zinc/26/75/62/645267562.db2.gz PPFDTAJXUVKKSN-GHMZBOCLSA-N 2 0 222.332 1.916 20 10 BDCDRP C[C@H](CC[NH2+]Cc1ccccc1O)[NH+](C)C ZINC000697884607 964607297 /nfs/dbraw/zinc/60/72/97/964607297.db2.gz ATRVLMGKIVBHJJ-LLVKDONJSA-N 2 0 222.332 1.822 20 10 BDCDRP [NH3+]CC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001205041396 967268345 /nfs/dbraw/zinc/26/83/45/967268345.db2.gz UGMZIYPTQHITCV-UHFFFAOYSA-N 2 0 236.315 1.269 20 10 BDCDRP C[C@@H]([NH2+]Cc1ccccc1O)C1CC[NH2+]CC1 ZINC000400324318 970579517 /nfs/dbraw/zinc/57/95/17/970579517.db2.gz CWJQSPOINWAPDU-LLVKDONJSA-N 2 0 234.343 1.870 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(N)cc1 ZINC001335290456 976934506 /nfs/dbraw/zinc/93/45/06/976934506.db2.gz XQHCFUZRVFWBHK-SNVBAGLBSA-N 2 0 207.321 1.356 20 10 BDCDRP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235991338 979281064 /nfs/dbraw/zinc/28/10/64/979281064.db2.gz LLSZNTFLXKXEBW-IUODEOHRSA-N 2 0 246.354 1.932 20 10 BDCDRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001345159313 980570400 /nfs/dbraw/zinc/57/04/00/980570400.db2.gz GBTAMRWOIUBNRV-CYBMUJFWSA-N 2 0 219.332 1.440 20 10 BDCDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001356082932 983569058 /nfs/dbraw/zinc/56/90/58/983569058.db2.gz HZJPLMHFHCAXPF-NSHDSACASA-N 2 0 233.359 1.828 20 10 BDCDRP CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(N)cc1 ZINC001356082693 983572963 /nfs/dbraw/zinc/57/29/63/983572963.db2.gz CHAACYZJRZJSAF-LBPRGKRZSA-N 2 0 221.348 1.732 20 10 BDCDRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(O)c1 ZINC001579696841 986172302 /nfs/dbraw/zinc/17/23/02/986172302.db2.gz IXJCAONCNZXVGJ-GHMZBOCLSA-N 2 0 222.332 1.916 20 10 BDCDRP C[C@H]1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CC[NH2+]1 ZINC001246870593 988628064 /nfs/dbraw/zinc/62/80/64/988628064.db2.gz VXTAIAIMPCCBJC-AAEUAGOBSA-N 2 0 246.354 1.891 20 10 BDCDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N)cc1 ZINC001120370574 989642203 /nfs/dbraw/zinc/64/22/03/989642203.db2.gz AYTKKQLKEFBIQU-ZDUSSCGKSA-N 2 0 233.359 1.747 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC001328676215 991396117 /nfs/dbraw/zinc/39/61/17/991396117.db2.gz ACUPVBGOBKEZEZ-LLVKDONJSA-N 2 0 222.332 1.646 20 10 BDCDRP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1O ZINC000019958455 384564091 /nfs/dbraw/zinc/56/40/91/384564091.db2.gz SFHCJGWSUZQNPG-NSHDSACASA-N 2 0 222.332 1.995 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1O ZINC000903964812 584834483 /nfs/dbraw/zinc/83/44/83/584834483.db2.gz RLJUAYTTYUXMQB-PWSUYJOCSA-N 2 0 220.316 1.337 20 10 BDCDRP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000817963214 584992743 /nfs/dbraw/zinc/99/27/43/584992743.db2.gz SJBPULAKGSWPIS-WDEREUQCSA-N 2 0 222.332 1.946 20 10 BDCDRP [NH3+]C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000817965616 584992984 /nfs/dbraw/zinc/99/29/84/584992984.db2.gz YHUSPAYQXXMOHX-NSHDSACASA-N 2 0 232.327 1.851 20 10 BDCDRP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000843047854 585331335 /nfs/dbraw/zinc/33/13/35/585331335.db2.gz YXDQSABYJFGVLZ-GFCCVEGCSA-N 2 0 234.343 1.871 20 10 BDCDRP C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817957440 586850677 /nfs/dbraw/zinc/85/06/77/586850677.db2.gz MENXUNLKZZBCLJ-DOMZBBRYSA-N 2 0 247.386 1.932 20 10 BDCDRP Cc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1O ZINC000841036436 587937789 /nfs/dbraw/zinc/93/77/89/587937789.db2.gz NLHZPWXGIHQVDJ-LBPRGKRZSA-N 2 0 234.343 1.790 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000841050183 587939753 /nfs/dbraw/zinc/93/97/53/587939753.db2.gz ZABPPGFSXZBWMO-JTQLQIEISA-N 2 0 208.305 1.385 20 10 BDCDRP CCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])c(O)c1 ZINC000841048556 587939856 /nfs/dbraw/zinc/93/98/56/587939856.db2.gz KCMMSYVSLUKKKG-SNVBAGLBSA-N 2 0 238.331 1.475 20 10 BDCDRP CC1([NH2+]Cc2cc(F)ccc2O)CC[NH2+]CC1 ZINC000841065865 587942346 /nfs/dbraw/zinc/94/23/46/587942346.db2.gz UHYBAWRQEDGGPF-UHFFFAOYSA-N 2 0 238.306 1.763 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848714489 588407778 /nfs/dbraw/zinc/40/77/78/588407778.db2.gz CACFCXXDWSPVOR-KBPBESRZSA-N 2 0 233.359 1.671 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848714490 588408029 /nfs/dbraw/zinc/40/80/29/588408029.db2.gz CACFCXXDWSPVOR-KGLIPLIRSA-N 2 0 233.359 1.671 20 10 BDCDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)ccc1O ZINC000873252803 590009076 /nfs/dbraw/zinc/00/90/76/590009076.db2.gz VSDALQXVAIZWDZ-KKZNHRDASA-N 2 0 238.306 1.919 20 10 BDCDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000126809202 590458688 /nfs/dbraw/zinc/45/86/88/590458688.db2.gz IZIWIZHNIOPASS-TZMCWYRMSA-N 2 0 247.386 1.922 20 10 BDCDRP CCOc1cccc(C[N@H+](C)CCC[NH3+])c1O ZINC000133735513 591851131 /nfs/dbraw/zinc/85/11/31/591851131.db2.gz SNUCLYBVQPMNLK-UHFFFAOYSA-N 2 0 238.331 1.572 20 10 BDCDRP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1O ZINC000139130573 592370510 /nfs/dbraw/zinc/37/05/10/592370510.db2.gz QPJXFTPYOACMNH-VIFPVBQESA-N 2 0 208.305 1.780 20 10 BDCDRP Oc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000162935787 633042411 /nfs/dbraw/zinc/04/24/11/633042411.db2.gz AEQWHIYBHPQMED-NSHDSACASA-N 2 0 220.316 1.481 20 10 BDCDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC000228534727 640878821 /nfs/dbraw/zinc/87/88/21/640878821.db2.gz QWWVLFDTKNSXHH-IACUBPJLSA-N 2 0 246.354 1.951 20 10 BDCDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000168514947 711684563 /nfs/dbraw/zinc/68/45/63/711684563.db2.gz KXMIPCKVRURRCB-GHMZBOCLSA-N 2 0 220.316 1.561 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709789117 712226948 /nfs/dbraw/zinc/22/69/48/712226948.db2.gz HJTKSXDJNFRZJZ-HNNXBMFYSA-N 2 0 246.354 1.968 20 10 BDCDRP [NH3+][C@H]1CCN(c2ccc(C3([NH3+])CCC3)cc2)C1 ZINC001164281461 965826932 /nfs/dbraw/zinc/82/69/32/965826932.db2.gz DEGVVUVAZAYQKU-LBPRGKRZSA-N 2 0 231.343 1.562 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380668 966654613 /nfs/dbraw/zinc/65/46/13/966654613.db2.gz GQKWOQCNIISYIV-OCCSQVGLSA-N 2 0 246.354 1.966 20 10 BDCDRP Cc1c(O)ccc(CN2CCC[NH2+]CC2)c1O ZINC001204668161 967124988 /nfs/dbraw/zinc/12/49/88/967124988.db2.gz UCBOOBPVGQMBHW-UHFFFAOYSA-N 2 0 236.315 1.202 20 10 BDCDRP C/C=C(\NC=[NH2+])c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205371970 967596579 /nfs/dbraw/zinc/59/65/79/967596579.db2.gz BPJCWKVGDGYZJS-VVHNFQOZSA-N 2 0 244.342 1.654 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@H]1C[NH3+] ZINC001334754223 976624243 /nfs/dbraw/zinc/62/42/43/976624243.db2.gz MJRGRGSUSSCFKR-AAEUAGOBSA-N 2 0 233.359 1.686 20 10 BDCDRP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992900 979281841 /nfs/dbraw/zinc/28/18/41/979281841.db2.gz SESDVYCUEGARAY-IUODEOHRSA-N 2 0 246.354 1.932 20 10 BDCDRP COc1cc(C)c(C[NH2+]C/C=C/C[NH3+])c(O)c1 ZINC001579144347 985812742 /nfs/dbraw/zinc/81/27/42/985812742.db2.gz APLLDYVUOQJJGQ-ONEGZZNKSA-N 2 0 236.315 1.314 20 10 BDCDRP C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000699704007 987378986 /nfs/dbraw/zinc/37/89/86/987378986.db2.gz YUORTUJPCBFGQL-NWDGAFQWSA-N 2 0 234.343 1.870 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC001325321350 989156931 /nfs/dbraw/zinc/15/69/31/989156931.db2.gz VLNODWDKAHWZFH-SNVBAGLBSA-N 2 0 238.331 1.346 20 10 BDCDRP Cc1cc(O)c(C[NH2+]CCCC[NH3+])cc1C ZINC001325624933 989219805 /nfs/dbraw/zinc/21/98/05/989219805.db2.gz HLNYLUAWQZJLED-UHFFFAOYSA-N 2 0 222.332 1.838 20 10 BDCDRP CC(C)c1ccc(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001575858175 993114625 /nfs/dbraw/zinc/11/46/25/993114625.db2.gz AXMCJQXCHMNKTN-NHAGDIPZSA-N 2 0 246.354 1.823 20 10 BDCDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001334753499 994626518 /nfs/dbraw/zinc/62/65/18/994626518.db2.gz GDIAXSZMPGUDOX-JTQLQIEISA-N 2 0 207.321 1.486 20 10 BDCDRP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[NH+](C)C ZINC000291693709 385595988 /nfs/dbraw/zinc/59/59/88/385595988.db2.gz JHZAESLDFJZQTM-LBPRGKRZSA-N 2 0 248.370 1.909 20 10 BDCDRP COc1cccc(O)c1C[NH2+]C[C@H](C)C[NH3+] ZINC000841049218 584124691 /nfs/dbraw/zinc/12/46/91/584124691.db2.gz OGQICIGNOSNEGF-SECBINFHSA-N 2 0 224.304 1.085 20 10 BDCDRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841055520 584125686 /nfs/dbraw/zinc/12/56/86/584125686.db2.gz PCMNUMAKAJSOSP-KBPBESRZSA-N 2 0 246.354 1.981 20 10 BDCDRP [NH3+]C1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000902406530 584574371 /nfs/dbraw/zinc/57/43/71/584574371.db2.gz NKMBQZOPWHPIGC-JTQLQIEISA-N 2 0 218.300 1.460 20 10 BDCDRP CC(C)([NH3+])CC[NH2+]Cc1cc(F)ccc1O ZINC000903938941 584825139 /nfs/dbraw/zinc/82/51/39/584825139.db2.gz QRHKIFKIWPZMRC-UHFFFAOYSA-N 2 0 226.295 1.748 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000843129851 586417905 /nfs/dbraw/zinc/41/79/05/586417905.db2.gz SDSCVKFENJCSOT-UWVGGRQHSA-N 2 0 238.331 1.616 20 10 BDCDRP C[NH2+]CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817943758 586846159 /nfs/dbraw/zinc/84/61/59/586846159.db2.gz SBBGFHPGUTXSLZ-LLVKDONJSA-N 2 0 220.316 1.579 20 10 BDCDRP C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCCC[NH2+]1 ZINC000817957442 586850817 /nfs/dbraw/zinc/85/08/17/586850817.db2.gz MENXUNLKZZBCLJ-SWLSCSKDSA-N 2 0 247.386 1.932 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)c(O)c1C ZINC000817964512 586853622 /nfs/dbraw/zinc/85/36/22/586853622.db2.gz BBKUOELWTJIPKA-NSHDSACASA-N 2 0 234.343 1.879 20 10 BDCDRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Cl)ccc1O ZINC000817966052 586855491 /nfs/dbraw/zinc/85/54/91/586855491.db2.gz ZVIGAVMDUOPHNA-MRVPVSSYSA-N 2 0 240.734 1.916 20 10 BDCDRP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817971821 586859704 /nfs/dbraw/zinc/85/97/04/586859704.db2.gz HJPICKYIAZJNQD-PSASIEDQSA-N 2 0 206.289 1.316 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1C ZINC000817977074 586860889 /nfs/dbraw/zinc/86/08/89/586860889.db2.gz AHVIDJZNZGOVHZ-ZZVYKPCYSA-N 2 0 246.354 1.877 20 10 BDCDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817973265 586861004 /nfs/dbraw/zinc/86/10/04/586861004.db2.gz RXESBEBXFNSXGY-RKDXNWHRSA-N 2 0 224.304 1.399 20 10 BDCDRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817977616 586861165 /nfs/dbraw/zinc/86/11/65/586861165.db2.gz LRJWHDWNULJTKD-CIUDSAMLSA-N 2 0 226.295 1.918 20 10 BDCDRP Oc1ccc(Cl)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026489 587935608 /nfs/dbraw/zinc/93/56/08/587935608.db2.gz DVRUHKHDVGPCEW-UHFFFAOYSA-N 2 0 240.734 1.887 20 10 BDCDRP COc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1O ZINC000841028808 587936487 /nfs/dbraw/zinc/93/64/87/587936487.db2.gz HVPAINWJSJCTJG-LLVKDONJSA-N 2 0 238.331 1.474 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000841048080 587939254 /nfs/dbraw/zinc/93/92/54/587939254.db2.gz GQPFQVRYPHBSFG-SNVBAGLBSA-N 2 0 238.331 1.475 20 10 BDCDRP C[C@]1(C[NH2+]Cc2ccccc2O)CCC[NH2+]C1 ZINC000841057450 587940416 /nfs/dbraw/zinc/94/04/16/587940416.db2.gz NHLMTAHCHLUCEA-AWEZNQCLSA-N 2 0 234.343 1.872 20 10 BDCDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841063621 587941466 /nfs/dbraw/zinc/94/14/66/587941466.db2.gz MBHSFNWRVSSZFW-SMDDNHRTSA-N 2 0 246.354 1.709 20 10 BDCDRP Oc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079757 587944725 /nfs/dbraw/zinc/94/47/25/587944725.db2.gz NGKJRXXRQGLBMU-ZDUSSCGKSA-N 2 0 232.327 1.624 20 10 BDCDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841085152 587945841 /nfs/dbraw/zinc/94/58/41/587945841.db2.gz VQOPANUXHMOCCO-BXKDBHETSA-N 2 0 238.306 1.748 20 10 BDCDRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1O ZINC000873257994 590012468 /nfs/dbraw/zinc/01/24/68/590012468.db2.gz WNBKXIXRKZEJIZ-GMTAPVOTSA-N 2 0 220.316 1.780 20 10 BDCDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3O)CC[C@@H]21 ZINC000877742724 590409844 /nfs/dbraw/zinc/40/98/44/590409844.db2.gz GCUHFCBXDZEHPR-OCCSQVGLSA-N 2 0 246.354 1.918 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000258798210 635204248 /nfs/dbraw/zinc/20/42/48/635204248.db2.gz QZQCORAIHOJZRK-JTQLQIEISA-N 2 0 220.316 1.306 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338775 635298200 /nfs/dbraw/zinc/29/82/00/635298200.db2.gz OAVBSIDBEVAXJY-YPMHNXCESA-N 2 0 234.343 1.870 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1F ZINC000906508356 638178581 /nfs/dbraw/zinc/17/85/81/638178581.db2.gz OOGUHHMDAUQHRL-XYPYZODXSA-N 2 0 237.322 1.471 20 10 BDCDRP CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906517039 638187565 /nfs/dbraw/zinc/18/75/65/638187565.db2.gz CUQVXPOELARUML-GJQFUUHUSA-N 2 0 245.370 1.845 20 10 BDCDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000044535356 640402701 /nfs/dbraw/zinc/40/27/01/640402701.db2.gz BTCPKWITVRYGRB-GFCCVEGCSA-N 2 0 234.343 1.824 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000071409465 643143279 /nfs/dbraw/zinc/14/32/79/643143279.db2.gz FUISIVHWNWOGCB-LBPRGKRZSA-N 2 0 234.343 1.871 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1cc(F)ccc1O ZINC000083347005 643437566 /nfs/dbraw/zinc/43/75/66/643437566.db2.gz KINNRNPXYQTTBU-UHFFFAOYSA-N 2 0 212.268 1.230 20 10 BDCDRP Cc1ccc(C[NH2+]CCC[NH+](C)C)c(O)c1 ZINC000083352241 644403371 /nfs/dbraw/zinc/40/33/71/644403371.db2.gz IDVOQWBYXQYODS-UHFFFAOYSA-N 2 0 222.332 1.742 20 10 BDCDRP C[N@H+](Cc1ccccc1O)C[C@]1(C)CC[NH2+]C1 ZINC000843060902 645258421 /nfs/dbraw/zinc/25/84/21/645258421.db2.gz RCGTVSAFOMJGEX-CQSZACIVSA-N 2 0 234.343 1.824 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381507814 710648983 /nfs/dbraw/zinc/64/89/83/710648983.db2.gz FLZSRPBQLLLFPO-NSHDSACASA-N 2 0 221.348 1.437 20 10 BDCDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000228406654 711834689 /nfs/dbraw/zinc/83/46/89/711834689.db2.gz RPWJMAPCRFJOJS-DGCLKSJQSA-N 2 0 234.343 1.999 20 10 BDCDRP Oc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282270 711932230 /nfs/dbraw/zinc/93/22/30/711932230.db2.gz DETUCKWDDYMODP-VXGBXAGGSA-N 2 0 218.300 1.043 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380664 966656380 /nfs/dbraw/zinc/65/63/80/966656380.db2.gz GQKWOQCNIISYIV-GXTWGEPZSA-N 2 0 246.354 1.966 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1cc(F)ccc1O ZINC001328677127 973256395 /nfs/dbraw/zinc/25/63/95/973256395.db2.gz KAXKTOKVKTWDTH-SECBINFHSA-N 2 0 226.295 1.619 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@@H]1C[NH3+] ZINC001334754225 976625779 /nfs/dbraw/zinc/62/57/79/976625779.db2.gz MJRGRGSUSSCFKR-WCQYABFASA-N 2 0 233.359 1.686 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC001334775501 976645603 /nfs/dbraw/zinc/64/56/03/976645603.db2.gz ZSEOJEBZDCBPKD-AWEZNQCLSA-N 2 0 233.359 1.972 20 10 BDCDRP Nc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC001335288133 976927921 /nfs/dbraw/zinc/92/79/21/976927921.db2.gz DNZDXVMAVLVUEB-YPMHNXCESA-N 2 0 219.332 1.486 20 10 BDCDRP CC[C@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC001336286195 977614186 /nfs/dbraw/zinc/61/41/86/977614186.db2.gz OLRAFEYBVLLPBU-GXTWGEPZSA-N 2 0 233.359 1.828 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237410093 979885149 /nfs/dbraw/zinc/88/51/49/979885149.db2.gz BJLVEFHMFJTGGD-HIFRSBDPSA-N 2 0 245.370 1.843 20 10 BDCDRP c1cc(N2CC[NH2+]CC2)ccc1C1=CC[NH2+]CC1 ZINC001240467127 981402242 /nfs/dbraw/zinc/40/22/42/981402242.db2.gz WIDZORCGRAZBPX-UHFFFAOYSA-N 2 0 243.354 1.473 20 10 BDCDRP CCCC[C@@H](CN)[NH2+]Cc1ccc(N)cc1 ZINC001352790089 982581772 /nfs/dbraw/zinc/58/17/72/982581772.db2.gz OJPUTUXKBCYLOT-ZDUSSCGKSA-N 2 0 221.348 1.876 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001118057219 987992205 /nfs/dbraw/zinc/99/22/05/987992205.db2.gz BVRFYQBVIYTMPC-ZYHUDNBSSA-N 2 0 234.343 1.967 20 10 BDCDRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC001246865766 988623383 /nfs/dbraw/zinc/62/33/83/988623383.db2.gz RADGSWGKRQVYBX-YPMHNXCESA-N 2 0 234.343 1.965 20 10 BDCDRP C[N@H+](Cc1ccc(N)cc1)CC(C)(C)C[NH3+] ZINC001262486949 992890481 /nfs/dbraw/zinc/89/04/81/992890481.db2.gz GDFPQTORJGQMDS-UHFFFAOYSA-N 2 0 221.348 1.686 20 10 BDCDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001262488245 992893198 /nfs/dbraw/zinc/89/31/98/992893198.db2.gz VUZZVDJESZCYDA-NSHDSACASA-N 2 0 221.348 1.876 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001336286517 995000329 /nfs/dbraw/zinc/00/03/29/995000329.db2.gz QZZQPUFJFLKQLD-OCCSQVGLSA-N 2 0 231.343 1.453 20 10 BDCDRP COc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000841031793 584030872 /nfs/dbraw/zinc/03/08/72/584030872.db2.gz YAFDVUQVXRSIJU-GFCCVEGCSA-N 2 0 238.331 1.474 20 10 BDCDRP COc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1O ZINC000841049684 584124993 /nfs/dbraw/zinc/12/49/93/584124993.db2.gz MTXCWEIXTDTYOB-LLVKDONJSA-N 2 0 236.315 1.228 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1C[NH3+] ZINC000904411543 584879807 /nfs/dbraw/zinc/87/98/07/584879807.db2.gz MELHORFVXSZWOO-NEPJUHHUSA-N 2 0 234.343 1.809 20 10 BDCDRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1C[NH2+]C1 ZINC000817902010 586836527 /nfs/dbraw/zinc/83/65/27/586836527.db2.gz GPSPWEHLIQSBMW-SNVBAGLBSA-N 2 0 232.327 1.319 20 10 BDCDRP Oc1cccc2c1[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000817937254 586844234 /nfs/dbraw/zinc/84/42/34/586844234.db2.gz VZZYZKYPRSGBOY-GFCCVEGCSA-N 2 0 232.327 1.721 20 10 BDCDRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1O ZINC000817968714 586856816 /nfs/dbraw/zinc/85/68/16/586856816.db2.gz WKXBEEHBMVVBSQ-LLVKDONJSA-N 2 0 232.327 1.963 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000817977102 586860706 /nfs/dbraw/zinc/86/07/06/586860706.db2.gz BIKYSOBCTZOOGZ-AEJSXWLSSA-N 2 0 238.331 1.787 20 10 BDCDRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000817978196 586861582 /nfs/dbraw/zinc/86/15/82/586861582.db2.gz YGOVDJQJUIHOOZ-GUBZILKMSA-N 2 0 208.305 1.779 20 10 BDCDRP C[C@H]1C[C@H](C[NH2+]CCc2ccc(N)cc2)CC[NH2+]1 ZINC000841037594 587937573 /nfs/dbraw/zinc/93/75/73/587937573.db2.gz AZTURAPXUIGATL-GXTWGEPZSA-N 2 0 247.386 1.789 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@H](C)CC[NH3+])cc1C ZINC000841052636 587940304 /nfs/dbraw/zinc/94/03/04/587940304.db2.gz VGZFMXPNGOMTCN-LLVKDONJSA-N 2 0 222.332 1.836 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000841056783 587940611 /nfs/dbraw/zinc/94/06/11/587940611.db2.gz FEIBOYUQTVLVBV-CYBMUJFWSA-N 2 0 234.343 1.932 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841063223 587941285 /nfs/dbraw/zinc/94/12/85/587941285.db2.gz GBRBYNFGSBKRRW-WCQYABFASA-N 2 0 234.343 1.788 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841061557 587942097 /nfs/dbraw/zinc/94/20/97/587942097.db2.gz KCIHKRWJMGXLTK-AAEUAGOBSA-N 2 0 234.343 1.931 20 10 BDCDRP COc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1O ZINC000841080717 587942746 /nfs/dbraw/zinc/94/27/46/587942746.db2.gz QAPHWWKOFKXCRY-RKDXNWHRSA-N 2 0 224.304 1.226 20 10 BDCDRP COc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1O ZINC000841080714 587944668 /nfs/dbraw/zinc/94/46/68/587944668.db2.gz QAPHWWKOFKXCRY-IUCAKERBSA-N 2 0 224.304 1.226 20 10 BDCDRP Cc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1O ZINC000841079494 587944867 /nfs/dbraw/zinc/94/48/67/587944867.db2.gz JDHWTYDVHMJPCA-LLVKDONJSA-N 2 0 222.332 1.918 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1O ZINC000841077664 587945035 /nfs/dbraw/zinc/94/50/35/587945035.db2.gz BCCRMKKRIKRDSO-ZDUSSCGKSA-N 2 0 246.354 1.932 20 10 BDCDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841085153 587945506 /nfs/dbraw/zinc/94/55/06/587945506.db2.gz VQOPANUXHMOCCO-CABZTGNLSA-N 2 0 238.306 1.748 20 10 BDCDRP Cc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1O ZINC000843046123 588075780 /nfs/dbraw/zinc/07/57/80/588075780.db2.gz NWPNKJURAURGPM-UHFFFAOYSA-N 2 0 234.343 1.884 20 10 BDCDRP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843057260 588078011 /nfs/dbraw/zinc/07/80/11/588078011.db2.gz HQPKZQKXOPMRLL-NEPJUHHUSA-N 2 0 234.343 1.870 20 10 BDCDRP [NH3+]C1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000849349810 588474246 /nfs/dbraw/zinc/47/42/46/588474246.db2.gz JMIUXHCTFVWAQY-UHFFFAOYSA-N 2 0 220.316 1.753 20 10 BDCDRP Cc1cccc(CN(C)C[C@@H](C)[NH3+])c1O ZINC000863651448 589307223 /nfs/dbraw/zinc/30/72/23/589307223.db2.gz JBBABRCXAWJANJ-SNVBAGLBSA-N 2 0 208.305 1.480 20 10 BDCDRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000873249909 590007555 /nfs/dbraw/zinc/00/75/55/590007555.db2.gz NJAQSOLUJJUPBW-WCQGTBRESA-N 2 0 232.327 1.706 20 10 BDCDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000126808987 590458723 /nfs/dbraw/zinc/45/87/23/590458723.db2.gz IZIWIZHNIOPASS-GXTWGEPZSA-N 2 0 247.386 1.922 20 10 BDCDRP COc1cccc(CN2CCC[C@@H]2C[NH3+])c1O ZINC000131410323 591607978 /nfs/dbraw/zinc/60/79/78/591607978.db2.gz HGDURUAAKHPPFE-LLVKDONJSA-N 2 0 236.315 1.324 20 10 BDCDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000310490081 632748934 /nfs/dbraw/zinc/74/89/34/632748934.db2.gz FTQCVVYOTVAVRO-LBPRGKRZSA-N 2 0 235.375 1.970 20 10 BDCDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000162936658 635203416 /nfs/dbraw/zinc/20/34/16/635203416.db2.gz YDQXZJVSTSZHGZ-VXGBXAGGSA-N 2 0 220.316 1.752 20 10 BDCDRP c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000258987921 635230191 /nfs/dbraw/zinc/23/01/91/635230191.db2.gz LNNPDHRPPNAGCV-ZDUSSCGKSA-N 2 0 246.354 1.711 20 10 BDCDRP CN(C)c1ccc(/C=C\C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906509926 638181825 /nfs/dbraw/zinc/18/18/25/638181825.db2.gz CUQVXPOELARUML-ARJAWSKDSA-N 2 0 245.370 1.845 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147860 644536910 /nfs/dbraw/zinc/53/69/10/644536910.db2.gz QUVALSMNYAEKQX-UKRRQHHQSA-N 2 0 247.386 1.970 20 10 BDCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000037713279 712744841 /nfs/dbraw/zinc/74/48/41/712744841.db2.gz SBQGQEOEEZFKNB-SECBINFHSA-N 2 0 224.304 1.400 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381507810 710649278 /nfs/dbraw/zinc/64/92/78/710649278.db2.gz FLZSRPBQLLLFPO-LLVKDONJSA-N 2 0 221.348 1.437 20 10 BDCDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000386108817 711021552 /nfs/dbraw/zinc/02/15/52/711021552.db2.gz LCDURRBYRSSPMM-SWLSCSKDSA-N 2 0 247.386 1.840 20 10 BDCDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000228406639 711834721 /nfs/dbraw/zinc/83/47/21/711834721.db2.gz RPWJMAPCRFJOJS-YPMHNXCESA-N 2 0 234.343 1.999 20 10 BDCDRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1O)C2 ZINC000702596642 712056377 /nfs/dbraw/zinc/05/63/77/712056377.db2.gz GTNUNYTUEULYJC-GASCZTMLSA-N 2 0 246.354 1.824 20 10 BDCDRP C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000708890251 712202662 /nfs/dbraw/zinc/20/26/62/712202662.db2.gz WJQNWTIBOMHSNB-GXSJLCMTSA-N 2 0 238.306 1.558 20 10 BDCDRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001205095454 965743486 /nfs/dbraw/zinc/74/34/86/965743486.db2.gz XRZGJWAFGASEOL-LLVKDONJSA-N 2 0 236.315 1.411 20 10 BDCDRP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001205102648 967343622 /nfs/dbraw/zinc/34/36/22/967343622.db2.gz VDBFZVHWVZSELJ-LBPRGKRZSA-N 2 0 238.306 1.845 20 10 BDCDRP Nc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222548404 972560821 /nfs/dbraw/zinc/56/08/21/972560821.db2.gz KMAMCLJFTVIZJP-UHFFFAOYSA-N 2 0 237.322 1.532 20 10 BDCDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001336284930 977614691 /nfs/dbraw/zinc/61/46/91/977614691.db2.gz DXKONDUVQGTBMB-VHSXEESVSA-N 2 0 207.321 1.484 20 10 BDCDRP C1=C(c2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]C1 ZINC001243112455 984580616 /nfs/dbraw/zinc/58/06/16/984580616.db2.gz XBBZUORKYUJXCM-UHFFFAOYSA-N 2 0 229.327 1.083 20 10 BDCDRP Nc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246466563 987826619 /nfs/dbraw/zinc/82/66/19/987826619.db2.gz PAPDLXCTEOPXCG-YIONKMFJSA-N 2 0 245.370 1.684 20 10 BDCDRP CC(C)([NH3+])CC[NH2+]Cc1ccc(N)cc1 ZINC001120268209 989621535 /nfs/dbraw/zinc/62/15/35/989621535.db2.gz CCVFFXTVPSNBKC-UHFFFAOYSA-N 2 0 207.321 1.486 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001262487706 992893027 /nfs/dbraw/zinc/89/30/27/992893027.db2.gz BQABGGLVVDOIPS-GFCCVEGCSA-N 2 0 248.370 1.957 20 10 BDCDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753479 994627552 /nfs/dbraw/zinc/62/75/52/994627552.db2.gz FFHYEKMCJBSBQH-CMPLNLGQSA-N 2 0 219.332 1.438 20 10 BDCDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753481 994628696 /nfs/dbraw/zinc/62/86/96/994628696.db2.gz FFHYEKMCJBSBQH-PWSUYJOCSA-N 2 0 219.332 1.438 20 10 BDCDRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccccc1O ZINC000049551970 343601957 /nfs/dbraw/zinc/60/19/57/343601957.db2.gz FZVJFKUZOJVXRQ-NSHDSACASA-N 2 0 222.332 1.822 20 10 BDCDRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000902486090 584625218 /nfs/dbraw/zinc/62/52/18/584625218.db2.gz PDFNJVDGMWUIIE-DLOVCJGASA-N 2 0 232.327 1.706 20 10 BDCDRP C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](C)[NH3+] ZINC000817978604 584993935 /nfs/dbraw/zinc/99/39/35/584993935.db2.gz CEHFCWGPQGTLNP-NGZCFLSTSA-N 2 0 220.316 1.705 20 10 BDCDRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC000817977879 584994288 /nfs/dbraw/zinc/99/42/88/584994288.db2.gz QZJXHFUCAAMQAY-MVVXRAEJSA-N 2 0 218.300 1.261 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000843127262 586413323 /nfs/dbraw/zinc/41/33/23/586413323.db2.gz PCQWBTMSVVHONB-TZMCWYRMSA-N 2 0 246.354 1.884 20 10 BDCDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817894125 586834204 /nfs/dbraw/zinc/83/42/04/586834204.db2.gz BTJNRLBMZOIQPS-VXGBXAGGSA-N 2 0 235.375 1.968 20 10 BDCDRP CC[C@H](NCC[NH2+]C)c1ccccc1O ZINC000817952231 586848342 /nfs/dbraw/zinc/84/83/42/586848342.db2.gz OOWYECGDXMHXCP-NSHDSACASA-N 2 0 208.305 1.652 20 10 BDCDRP Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000817954820 586849554 /nfs/dbraw/zinc/84/95/54/586849554.db2.gz KUFBECSPYBDVDQ-YPMHNXCESA-N 2 0 246.354 1.969 20 10 BDCDRP Oc1cccc2c1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000817954818 586849894 /nfs/dbraw/zinc/84/98/94/586849894.db2.gz KUFBECSPYBDVDQ-DGCLKSJQSA-N 2 0 246.354 1.969 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[N@@H+]1C ZINC000817956272 586850183 /nfs/dbraw/zinc/85/01/83/586850183.db2.gz VNRNFJXPDVJFOF-DOMZBBRYSA-N 2 0 247.386 1.884 20 10 BDCDRP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817972704 586858837 /nfs/dbraw/zinc/85/88/37/586858837.db2.gz NVQDJRBLEZNTMH-NXEZZACHSA-N 2 0 208.305 1.698 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817973264 586860537 /nfs/dbraw/zinc/86/05/37/586860537.db2.gz RXESBEBXFNSXGY-IUCAKERBSA-N 2 0 224.304 1.399 20 10 BDCDRP COc1cccc(O)c1C[NH2+]C1CC[NH2+]CC1 ZINC000841026658 587935215 /nfs/dbraw/zinc/93/52/15/587935215.db2.gz NXJTVRXCRSINEN-UHFFFAOYSA-N 2 0 236.315 1.242 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000841033415 587937074 /nfs/dbraw/zinc/93/70/74/587937074.db2.gz UIRNPWDWXJGDOX-LBPRGKRZSA-N 2 0 234.343 1.790 20 10 BDCDRP Oc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841037892 587937636 /nfs/dbraw/zinc/93/76/36/587937636.db2.gz ZMRKYCKNLNWSHH-NSHDSACASA-N 2 0 220.316 1.481 20 10 BDCDRP Oc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841037891 587937751 /nfs/dbraw/zinc/93/77/51/587937751.db2.gz ZMRKYCKNLNWSHH-LLVKDONJSA-N 2 0 220.316 1.481 20 10 BDCDRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1O ZINC000841052049 587940271 /nfs/dbraw/zinc/94/02/71/587940271.db2.gz UFVLYIXZSNREDL-QMMMGPOBSA-N 2 0 228.723 1.873 20 10 BDCDRP C[C@H](C[NH3+])NCc1c(O)cccc1Cl ZINC000841059374 587940545 /nfs/dbraw/zinc/94/05/45/587940545.db2.gz BNMJYAIMILLHNQ-SSDOTTSWSA-N 2 0 214.696 1.482 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841063618 587941633 /nfs/dbraw/zinc/94/16/33/587941633.db2.gz MBHSFNWRVSSZFW-BXUZGUMPSA-N 2 0 246.354 1.709 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CC[NH2+]1 ZINC000841062935 587941977 /nfs/dbraw/zinc/94/19/77/587941977.db2.gz ZMOZHXMWGBPUSZ-SKDRFNHKSA-N 2 0 238.306 1.761 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC[NH2+]1 ZINC000841062933 587942110 /nfs/dbraw/zinc/94/21/10/587942110.db2.gz ZMOZHXMWGBPUSZ-JOYOIKCWSA-N 2 0 238.306 1.761 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1O ZINC000841079496 587943103 /nfs/dbraw/zinc/94/31/03/587943103.db2.gz JDHWTYDVHMJPCA-NSHDSACASA-N 2 0 222.332 1.918 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1O ZINC000841084092 587945504 /nfs/dbraw/zinc/94/55/04/587945504.db2.gz FZVVQSXDDKLBTG-YPMHNXCESA-N 2 0 234.343 1.918 20 10 BDCDRP Cc1cc(O)c(C[NH+]2CCC([NH3+])CC2)cc1C ZINC000843047024 588076265 /nfs/dbraw/zinc/07/62/65/588076265.db2.gz DHRBZDPKBPZGRQ-UHFFFAOYSA-N 2 0 234.343 1.932 20 10 BDCDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1O ZINC000843129429 588082552 /nfs/dbraw/zinc/08/25/52/588082552.db2.gz OOXYJMCUIMRRDC-ZJUUUORDSA-N 2 0 208.305 1.608 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123169 588083740 /nfs/dbraw/zinc/08/37/40/588083740.db2.gz IMLPBBABCVNXDY-HNNXBMFYSA-N 2 0 246.354 1.968 20 10 BDCDRP CCOc1ccc(CN(CC)CC[NH3+])c(O)c1 ZINC000863644957 589306708 /nfs/dbraw/zinc/30/67/08/589306708.db2.gz NHZCHEMUPIUBSW-UHFFFAOYSA-N 2 0 238.331 1.572 20 10 BDCDRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000873256261 590010545 /nfs/dbraw/zinc/01/05/45/590010545.db2.gz NJAQSOLUJJUPBW-YUSALJHKSA-N 2 0 232.327 1.706 20 10 BDCDRP Cc1cccc(O)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876818589 590245711 /nfs/dbraw/zinc/24/57/11/590245711.db2.gz WKZRCUCCIKCTFL-TXEJJXNPSA-N 2 0 232.327 1.352 20 10 BDCDRP Cc1cccc(CN2CC[C@H]([NH3+])C2)c1O ZINC000309625055 632587019 /nfs/dbraw/zinc/58/70/19/632587019.db2.gz PYEFGQXGGGSROE-NSHDSACASA-N 2 0 206.289 1.234 20 10 BDCDRP [NH3+]C1CC([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000906510872 638184092 /nfs/dbraw/zinc/18/40/92/638184092.db2.gz NFHBNQQPSCVWFW-UHFFFAOYSA-N 2 0 232.327 1.591 20 10 BDCDRP CN(C)c1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000087651244 640956751 /nfs/dbraw/zinc/95/67/51/640956751.db2.gz MFKLPHRIVZGSFK-UHFFFAOYSA-N 2 0 219.332 1.332 20 10 BDCDRP C[NH2+]CCC[NH2+][C@@H](C)c1ccccc1O ZINC000238337815 642803417 /nfs/dbraw/zinc/80/34/17/642803417.db2.gz HKHYDJIPMOPOGX-JTQLQIEISA-N 2 0 208.305 1.652 20 10 BDCDRP CCOc1cccc(C[NH2+]CCC[NH2+]C)c1O ZINC000083366297 643442392 /nfs/dbraw/zinc/44/23/92/643442392.db2.gz RPGRFNPJNCPXDC-UHFFFAOYSA-N 2 0 238.331 1.490 20 10 BDCDRP C[N@H+](CCC[NH2+]C1CC1)Cc1ccccc1O ZINC000923307721 644338304 /nfs/dbraw/zinc/33/83/04/644338304.db2.gz ZRJLGOCYDDUGOC-UHFFFAOYSA-N 2 0 234.343 1.966 20 10 BDCDRP CC[C@@H]([NH2+]CCC[NH3+])c1ccccc1O ZINC000037713318 712744933 /nfs/dbraw/zinc/74/49/33/712744933.db2.gz ODXVMZVIXUVJNO-LLVKDONJSA-N 2 0 208.305 1.782 20 10 BDCDRP CN(Cc1ccccc1O)C1(C[NH3+])CCC1 ZINC000385308347 711009732 /nfs/dbraw/zinc/00/97/32/711009732.db2.gz GCBYGPWHRBXLSV-UHFFFAOYSA-N 2 0 220.316 1.705 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000384713172 710949390 /nfs/dbraw/zinc/94/93/90/710949390.db2.gz FBWHKYCYQRUSAH-UHFFFAOYSA-N 2 0 220.316 1.622 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000708823714 712199929 /nfs/dbraw/zinc/19/99/29/712199929.db2.gz VYHOOXKTICEUQP-TZMCWYRMSA-N 2 0 247.386 1.779 20 10 BDCDRP C[C@H]([NH3+])c1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC001164281866 965826296 /nfs/dbraw/zinc/82/62/96/965826296.db2.gz PJZZHGATFYPBHI-GXSJLCMTSA-N 2 0 205.305 1.244 20 10 BDCDRP Cc1ccc(O)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235153499 966009553 /nfs/dbraw/zinc/00/95/53/966009553.db2.gz ABUUAYFEVXTCNU-GXTWGEPZSA-N 2 0 232.327 1.624 20 10 BDCDRP [NH3+][C@H]1CC[N@H+](Cc2ccccc2O)CC[C@H]1F ZINC001206154032 974317919 /nfs/dbraw/zinc/31/79/19/974317919.db2.gz GLRFEOSAXRILHI-NEPJUHHUSA-N 2 0 238.306 1.653 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC001336287254 977619466 /nfs/dbraw/zinc/61/94/66/977619466.db2.gz ZLXCWXROESTOCC-NSHDSACASA-N 2 0 205.305 1.049 20 10 BDCDRP Nc1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC001337838216 978519798 /nfs/dbraw/zinc/51/97/98/978519798.db2.gz KQTVDHCFPRDPIF-LBPRGKRZSA-N 2 0 205.305 1.192 20 10 BDCDRP Nc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC001337839015 978523727 /nfs/dbraw/zinc/52/37/27/978523727.db2.gz ZWTNZTXGIWJOCL-UHFFFAOYSA-N 2 0 219.332 1.501 20 10 BDCDRP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N)cc1 ZINC001356082908 983572241 /nfs/dbraw/zinc/57/22/41/983572241.db2.gz HMAWKOXSCSYRIL-BXUZGUMPSA-N 2 0 233.359 1.971 20 10 BDCDRP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1C[NH2+]C1 ZINC000686220788 985090522 /nfs/dbraw/zinc/09/05/22/985090522.db2.gz YWABALFTSQBXIR-NSHDSACASA-N 2 0 233.359 1.450 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[NH2+]1 ZINC001246465643 987825260 /nfs/dbraw/zinc/82/52/60/987825260.db2.gz LBVPCZXWEFLBHM-BXUZGUMPSA-N 2 0 233.359 1.541 20 10 BDCDRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC001246865763 988618588 /nfs/dbraw/zinc/61/85/88/988618588.db2.gz RADGSWGKRQVYBX-AAEUAGOBSA-N 2 0 234.343 1.965 20 10 BDCDRP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC001246865765 988621856 /nfs/dbraw/zinc/62/18/56/988621856.db2.gz RADGSWGKRQVYBX-WCQYABFASA-N 2 0 234.343 1.965 20 10 BDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC3)cc2)CC1 ZINC001139404748 991234040 /nfs/dbraw/zinc/23/40/40/991234040.db2.gz YQZWXTQRGRQFGL-UHFFFAOYSA-N 2 0 245.370 1.644 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC001261370684 992277435 /nfs/dbraw/zinc/27/74/35/992277435.db2.gz QTDIDKLQTFDMLL-LBPRGKRZSA-N 2 0 235.375 1.698 20 10 BDCDRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000071409539 173382243 /nfs/dbraw/zinc/38/22/43/173382243.db2.gz VVPNPEXDLMUKJW-GFCCVEGCSA-N 2 0 234.343 1.742 20 10 BDCDRP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000857226542 588896147 /nfs/dbraw/zinc/89/61/47/588896147.db2.gz QUCPGBJOYHLZPH-OCCSQVGLSA-N 2 0 232.327 1.705 20 10 BDCDRP CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c(O)c1 ZINC000841078648 584813834 /nfs/dbraw/zinc/81/38/34/584813834.db2.gz GNVWEEQIQCRZJC-ZJUUUORDSA-N 2 0 238.331 1.616 20 10 BDCDRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957705 584992340 /nfs/dbraw/zinc/99/23/40/584992340.db2.gz OJXZJKQEDWOGGP-QWRGUYRKSA-N 2 0 221.348 1.527 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817962961 584992710 /nfs/dbraw/zinc/99/27/10/584992710.db2.gz PSYGJIQEARGIKX-VXGBXAGGSA-N 2 0 235.375 1.998 20 10 BDCDRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817980653 584994811 /nfs/dbraw/zinc/99/48/11/584994811.db2.gz WFAXKQLJADDYJS-WDEREUQCSA-N 2 0 220.316 1.706 20 10 BDCDRP Cc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056953 585335641 /nfs/dbraw/zinc/33/56/41/585335641.db2.gz DEEFFOSCOIUEPO-NEPJUHHUSA-N 2 0 234.343 1.870 20 10 BDCDRP Oc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817865143 586830710 /nfs/dbraw/zinc/83/07/10/586830710.db2.gz ISIRRCSIEBGYGO-UHFFFAOYSA-N 2 0 232.327 1.720 20 10 BDCDRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817937527 586844176 /nfs/dbraw/zinc/84/41/76/586844176.db2.gz XHVOKUADSBDDCM-VIFPVBQESA-N 2 0 238.306 1.934 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1O ZINC000817961786 586847161 /nfs/dbraw/zinc/84/71/61/586847161.db2.gz CHXFIXBAVWZMKV-ZJUUUORDSA-N 2 0 208.305 1.638 20 10 BDCDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(F)ccc1O ZINC000817962471 586847410 /nfs/dbraw/zinc/84/74/10/586847410.db2.gz MTBXEYZVGZKRDF-DTWKUNHWSA-N 2 0 226.295 1.777 20 10 BDCDRP C[NH2+]CCN[C@H](C)c1ccc(C)cc1O ZINC000817952435 586847937 /nfs/dbraw/zinc/84/79/37/586847937.db2.gz PSKYLHVBYOGTSZ-SNVBAGLBSA-N 2 0 208.305 1.571 20 10 BDCDRP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817959136 586851105 /nfs/dbraw/zinc/85/11/05/586851105.db2.gz PODWISYSHDBUES-RYUDHWBXSA-N 2 0 234.343 1.952 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c(O)c1 ZINC000817962047 586852597 /nfs/dbraw/zinc/85/25/97/586852597.db2.gz HFEPSGURSZGYAX-GHMZBOCLSA-N 2 0 222.332 1.946 20 10 BDCDRP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817972705 586858664 /nfs/dbraw/zinc/85/86/64/586858664.db2.gz NVQDJRBLEZNTMH-UWVGGRQHSA-N 2 0 208.305 1.698 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c(O)c1 ZINC000817972748 586859277 /nfs/dbraw/zinc/85/92/77/586859277.db2.gz OHQSCDVPTLQXCD-VHSXEESVSA-N 2 0 208.305 1.698 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c(O)c1 ZINC000817972745 586859823 /nfs/dbraw/zinc/85/98/23/586859823.db2.gz OHQSCDVPTLQXCD-NXEZZACHSA-N 2 0 208.305 1.698 20 10 BDCDRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000817978195 586861986 /nfs/dbraw/zinc/86/19/86/586861986.db2.gz YGOVDJQJUIHOOZ-BBBLOLIVSA-N 2 0 208.305 1.779 20 10 BDCDRP CCOc1ccc(C[NH2+]CCC[NH2+]C)c(O)c1 ZINC000841041977 587934948 /nfs/dbraw/zinc/93/49/48/587934948.db2.gz KQVINYJHPXHGHW-UHFFFAOYSA-N 2 0 238.331 1.490 20 10 BDCDRP COc1ccc(O)c(CNC[C@H]2CCC[NH2+]2)c1 ZINC000841035043 587937117 /nfs/dbraw/zinc/93/71/17/587937117.db2.gz HFOUWFFLZKNDLJ-LLVKDONJSA-N 2 0 236.315 1.242 20 10 BDCDRP Cc1cc(O)c(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1C ZINC000841049578 587939829 /nfs/dbraw/zinc/93/98/29/587939829.db2.gz LRIZUUYOYLKBDS-CYBMUJFWSA-N 2 0 234.343 1.836 20 10 BDCDRP CCOc1cccc(C[NH2+][C@@H](C)CC[NH3+])c1O ZINC000841052457 587939962 /nfs/dbraw/zinc/93/99/62/587939962.db2.gz XUUQNTCCJHLWJC-JTQLQIEISA-N 2 0 238.331 1.618 20 10 BDCDRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841058004 587940665 /nfs/dbraw/zinc/94/06/65/587940665.db2.gz DPJGAQOAFIYNQC-RISCZKNCSA-N 2 0 246.354 1.709 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841063222 587941556 /nfs/dbraw/zinc/94/15/56/587941556.db2.gz GBRBYNFGSBKRRW-DGCLKSJQSA-N 2 0 234.343 1.788 20 10 BDCDRP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)c(O)c1 ZINC000841070584 587943027 /nfs/dbraw/zinc/94/30/27/587943027.db2.gz REIMDTZNUAEDFC-NSHDSACASA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000841077026 587944230 /nfs/dbraw/zinc/94/42/30/587944230.db2.gz WYKWVLSLLHCHFD-UWVGGRQHSA-N 2 0 208.305 1.526 20 10 BDCDRP COc1cccc(O)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000841079567 587945083 /nfs/dbraw/zinc/94/50/83/587945083.db2.gz JUNMWPGKIISIRT-SNVBAGLBSA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH+]1CCC([NH3+])CC1 ZINC000843047704 588076491 /nfs/dbraw/zinc/07/64/91/588076491.db2.gz WVQKRLCVWUQRLM-UHFFFAOYSA-N 2 0 247.386 1.984 20 10 BDCDRP COc1cccc(O)c1C[N@H+](C)CCC[NH3+] ZINC000843050176 588076793 /nfs/dbraw/zinc/07/67/93/588076793.db2.gz AHGIPRAKGINHEQ-UHFFFAOYSA-N 2 0 224.304 1.181 20 10 BDCDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1O ZINC000843129428 588082909 /nfs/dbraw/zinc/08/29/09/588082909.db2.gz OOXYJMCUIMRRDC-VHSXEESVSA-N 2 0 208.305 1.608 20 10 BDCDRP [NH3+]CC1(CC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000844903809 588218906 /nfs/dbraw/zinc/21/89/06/588218906.db2.gz NSQJIQGGMYDTRM-UHFFFAOYSA-N 2 0 238.306 1.750 20 10 BDCDRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000873256260 590010736 /nfs/dbraw/zinc/01/07/36/590010736.db2.gz NJAQSOLUJJUPBW-DLOVCJGASA-N 2 0 232.327 1.706 20 10 BDCDRP C[NH2+]CCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000124738886 590080382 /nfs/dbraw/zinc/08/03/82/590080382.db2.gz YZKREQRQNJVQKB-UHFFFAOYSA-N 2 0 235.375 1.794 20 10 BDCDRP Cc1cc(O)c(C[NH2+]C2CC([NH3+])C2)cc1C ZINC000906509243 638180744 /nfs/dbraw/zinc/18/07/44/638180744.db2.gz BYUJQBCWVIBMPJ-UHFFFAOYSA-N 2 0 220.316 1.588 20 10 BDCDRP CN(C)c1ccc(/C=C/C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906509927 638181299 /nfs/dbraw/zinc/18/12/99/638181299.db2.gz CUQVXPOELARUML-ONEGZZNKSA-N 2 0 245.370 1.845 20 10 BDCDRP C[NH+]1CCC(C[NH2+]Cc2ccccc2O)CC1 ZINC000044515429 640399277 /nfs/dbraw/zinc/39/92/77/640399277.db2.gz BEDWZADRMIUJRB-UHFFFAOYSA-N 2 0 234.343 1.824 20 10 BDCDRP Cc1ccc(O)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000071409461 643143313 /nfs/dbraw/zinc/14/33/13/643143313.db2.gz HNIRYSWDZJMUCZ-UHFFFAOYSA-N 2 0 234.343 1.871 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147862 644535452 /nfs/dbraw/zinc/53/54/52/644535452.db2.gz QUVALSMNYAEKQX-DZGCQCFKSA-N 2 0 247.386 1.970 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147861 644536025 /nfs/dbraw/zinc/53/60/25/644536025.db2.gz QUVALSMNYAEKQX-HIFRSBDPSA-N 2 0 247.386 1.970 20 10 BDCDRP COc1ccc(O)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320619 644588779 /nfs/dbraw/zinc/58/87/79/644588779.db2.gz RFQOEOYBWYALQB-RYUDHWBXSA-N 2 0 248.326 1.052 20 10 BDCDRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(F)ccc1O ZINC000220334355 645890420 /nfs/dbraw/zinc/89/04/20/645890420.db2.gz FZIMEWAYARIGJQ-SKDRFNHKSA-N 2 0 238.306 1.843 20 10 BDCDRP C[C@@H](CC[NH2+]Cc1cc(F)ccc1O)[NH+](C)C ZINC000700470950 711993691 /nfs/dbraw/zinc/99/36/91/711993691.db2.gz HNDRDJJAFKGSIM-JTQLQIEISA-N 2 0 240.322 1.961 20 10 BDCDRP COc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1O ZINC000385090306 711006183 /nfs/dbraw/zinc/00/61/83/711006183.db2.gz XURDTTTUARWOIS-UHFFFAOYSA-N 2 0 236.315 1.322 20 10 BDCDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000168515031 711684539 /nfs/dbraw/zinc/68/45/39/711684539.db2.gz KXMIPCKVRURRCB-QWRGUYRKSA-N 2 0 220.316 1.561 20 10 BDCDRP C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC000163405740 711793787 /nfs/dbraw/zinc/79/37/87/711793787.db2.gz KFVCFYCSMTYJDP-YPMHNXCESA-N 2 0 234.343 1.809 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000708885214 712202644 /nfs/dbraw/zinc/20/26/44/712202644.db2.gz WSDXCFFCTGXXNY-DGCLKSJQSA-N 2 0 234.343 1.727 20 10 BDCDRP CCc1cccc(C[NH2+]CCC[NH+](C)C)c1O ZINC000709401799 712220856 /nfs/dbraw/zinc/22/08/56/712220856.db2.gz IPAVMPFWOVKDMH-UHFFFAOYSA-N 2 0 236.359 1.996 20 10 BDCDRP Oc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709445118 712221983 /nfs/dbraw/zinc/22/19/83/712221983.db2.gz IHIGAHPSSIUCRS-FUNVUKJBSA-N 2 0 232.327 1.765 20 10 BDCDRP c1cc(N2CC[NH2+]CC2)ccc1C1=C[NH2+]CCC1 ZINC001243950733 971038249 /nfs/dbraw/zinc/03/82/49/971038249.db2.gz LYOXTYXUYCXIJB-UHFFFAOYSA-N 2 0 243.354 1.821 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CC[NH2+]1 ZINC001246237744 972245150 /nfs/dbraw/zinc/24/51/50/972245150.db2.gz BXBKDTABZVPVBT-MWLCHTKSSA-N 2 0 236.315 1.328 20 10 BDCDRP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235991341 966210297 /nfs/dbraw/zinc/21/02/97/966210297.db2.gz LLSZNTFLXKXEBW-WFASDCNBSA-N 2 0 246.354 1.932 20 10 BDCDRP C[NH+]1CCC2(C[NH+](Cc3ccccc3O)C2)CC1 ZINC001203558710 966689150 /nfs/dbraw/zinc/68/91/50/966689150.db2.gz XHMWFXFAXQJXOF-UHFFFAOYSA-N 2 0 246.354 1.920 20 10 BDCDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203558639 967019917 /nfs/dbraw/zinc/01/99/17/967019917.db2.gz RRVRGEKUZUIKNN-UHFFFAOYSA-N 2 0 246.354 1.920 20 10 BDCDRP Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001205053075 967770009 /nfs/dbraw/zinc/77/00/09/967770009.db2.gz JJPQVTOHIOQSGK-UHFFFAOYSA-N 2 0 219.332 1.440 20 10 BDCDRP CN(c1ccc2c(c1)C[NH2+]C2)C(C)(C)C[NH3+] ZINC001170058693 970108315 /nfs/dbraw/zinc/10/83/15/970108315.db2.gz ASDDSMXWKHGWNQ-UHFFFAOYSA-N 2 0 219.332 1.463 20 10 BDCDRP CCO[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001334753238 976618272 /nfs/dbraw/zinc/61/82/72/976618272.db2.gz BJQLDQDMIZXURO-TZMCWYRMSA-N 2 0 249.358 1.064 20 10 BDCDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774813 976646022 /nfs/dbraw/zinc/64/60/22/976646022.db2.gz OXZWRQCUCPYWFC-DGCLKSJQSA-N 2 0 233.359 1.828 20 10 BDCDRP Nc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059292 979348236 /nfs/dbraw/zinc/34/82/36/979348236.db2.gz FTMVEGDWUXKEIR-JSGCOSHPSA-N 2 0 231.343 1.453 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC001352788133 982575863 /nfs/dbraw/zinc/57/58/63/982575863.db2.gz DBEWNIAXPIFPQA-GXTWGEPZSA-N 2 0 233.359 1.876 20 10 BDCDRP Nc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001352788074 982578809 /nfs/dbraw/zinc/57/88/09/982578809.db2.gz AXBHXUUHIDHWQI-QWHCGFSZSA-N 2 0 231.343 1.310 20 10 BDCDRP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N)cc1 ZINC001356082909 983570602 /nfs/dbraw/zinc/57/06/02/983570602.db2.gz HMAWKOXSCSYRIL-FZMZJTMJSA-N 2 0 233.359 1.971 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC001118057217 987991022 /nfs/dbraw/zinc/99/10/22/987991022.db2.gz BVRFYQBVIYTMPC-JQWIXIFHSA-N 2 0 234.343 1.967 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC001326036699 989336116 /nfs/dbraw/zinc/33/61/16/989336116.db2.gz UDWHVIOLMQNYLF-GHMZBOCLSA-N 2 0 222.332 1.898 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(OC)c1O ZINC001326076596 989364036 /nfs/dbraw/zinc/36/40/36/989364036.db2.gz PSMPUNJNBWTYKK-JTQLQIEISA-N 2 0 238.331 1.488 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC001261370683 992277054 /nfs/dbraw/zinc/27/70/54/992277054.db2.gz QTDIDKLQTFDMLL-GFCCVEGCSA-N 2 0 235.375 1.698 20 10 BDCDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N)cc1 ZINC001262488244 992892664 /nfs/dbraw/zinc/89/26/64/992892664.db2.gz VUZZVDJESZCYDA-LLVKDONJSA-N 2 0 221.348 1.876 20 10 BDCDRP Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841035825 584042459 /nfs/dbraw/zinc/04/24/59/584042459.db2.gz IWWQVKOYQYMGNU-JTQLQIEISA-N 2 0 238.306 1.621 20 10 BDCDRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(N)cc1 ZINC000817957706 584992404 /nfs/dbraw/zinc/99/24/04/584992404.db2.gz OJXZJKQEDWOGGP-WDEREUQCSA-N 2 0 221.348 1.527 20 10 BDCDRP [O-]c1c(F)cccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000779030524 585744366 /nfs/dbraw/zinc/74/43/66/585744366.db2.gz OFCSVWWUOJEJRO-PHIMTYICSA-N 2 0 236.290 1.183 20 10 BDCDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817894124 586833978 /nfs/dbraw/zinc/83/39/78/586833978.db2.gz BTJNRLBMZOIQPS-RYUDHWBXSA-N 2 0 235.375 1.968 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1O ZINC000817961684 586852258 /nfs/dbraw/zinc/85/22/58/586852258.db2.gz CHXFIXBAVWZMKV-UWVGGRQHSA-N 2 0 208.305 1.638 20 10 BDCDRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817965139 586853809 /nfs/dbraw/zinc/85/38/09/586853809.db2.gz MOBVMOKLUUSNCA-NSHDSACASA-N 2 0 233.359 1.623 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000817977103 586860944 /nfs/dbraw/zinc/86/09/44/586860944.db2.gz BIKYSOBCTZOOGZ-BBBLOLIVSA-N 2 0 238.331 1.787 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000817977582 586861525 /nfs/dbraw/zinc/86/15/25/586861525.db2.gz KXCIJTQRZCSISJ-WUWHUORYSA-N 2 0 232.327 1.569 20 10 BDCDRP COc1ccc(O)c(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000841035045 587936948 /nfs/dbraw/zinc/93/69/48/587936948.db2.gz HFOUWFFLZKNDLJ-NSHDSACASA-N 2 0 236.315 1.242 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000841033414 587937105 /nfs/dbraw/zinc/93/71/05/587937105.db2.gz UIRNPWDWXJGDOX-GFCCVEGCSA-N 2 0 234.343 1.790 20 10 BDCDRP CCOc1ccc(C[NH2+]CC(C)(C)[NH3+])c(O)c1 ZINC000841031608 587937266 /nfs/dbraw/zinc/93/72/66/587937266.db2.gz XUFMMTLCBWNACO-UHFFFAOYSA-N 2 0 238.331 1.618 20 10 BDCDRP Nc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000841039013 587938400 /nfs/dbraw/zinc/93/84/00/587938400.db2.gz XERFLNXZAIMJNG-UHFFFAOYSA-N 2 0 247.386 1.918 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000841049789 587939751 /nfs/dbraw/zinc/93/97/51/587939751.db2.gz HQSUQQUDCXWMIS-VIFPVBQESA-N 2 0 224.304 1.228 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841048702 587939946 /nfs/dbraw/zinc/93/99/46/587939946.db2.gz KZZXZSWBOPQLDM-IHVVCDCBSA-N 2 0 247.386 1.950 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1O ZINC000841058581 587940598 /nfs/dbraw/zinc/94/05/98/587940598.db2.gz SYXUCLUWFTZHDM-ZDUSSCGKSA-N 2 0 234.343 1.932 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC[NH2+]1 ZINC000841062930 587941540 /nfs/dbraw/zinc/94/15/40/587941540.db2.gz ZMOZHXMWGBPUSZ-BXKDBHETSA-N 2 0 238.306 1.761 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1C ZINC000841076214 587944326 /nfs/dbraw/zinc/94/43/26/587944326.db2.gz CFHDZYPTDWVHOG-GHMZBOCLSA-N 2 0 222.332 1.834 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000841076993 587944528 /nfs/dbraw/zinc/94/45/28/587944528.db2.gz VXYKDLPITNOBDF-IUCAKERBSA-N 2 0 224.304 1.226 20 10 BDCDRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000841078942 587945181 /nfs/dbraw/zinc/94/51/81/587945181.db2.gz FEQSJFJGRORZSA-VIFPVBQESA-N 2 0 226.295 1.748 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1O ZINC000841084089 587945512 /nfs/dbraw/zinc/94/55/12/587945512.db2.gz FZVVQSXDDKLBTG-AAEUAGOBSA-N 2 0 234.343 1.918 20 10 BDCDRP CN(C)c1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000843045961 588076392 /nfs/dbraw/zinc/07/63/92/588076392.db2.gz MSUBNSJLGBFHKR-UHFFFAOYSA-N 2 0 247.386 1.936 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCCNC2)cc1 ZINC000843126657 588084641 /nfs/dbraw/zinc/08/46/41/588084641.db2.gz SFHVTBCJKYNXAB-CYBMUJFWSA-N 2 0 219.332 1.153 20 10 BDCDRP CC(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000034823187 635823779 /nfs/dbraw/zinc/82/37/79/635823779.db2.gz WRCLASGAARZNES-UHFFFAOYSA-N 2 0 247.386 1.936 20 10 BDCDRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1C ZINC000906508594 638180986 /nfs/dbraw/zinc/18/09/86/638180986.db2.gz RDTKJSGDRZSYRC-HAQNSBGRSA-N 2 0 220.316 1.583 20 10 BDCDRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000906518020 638188330 /nfs/dbraw/zinc/18/83/30/638188330.db2.gz NFHBNQQPSCVWFW-JOCQHMNTSA-N 2 0 232.327 1.591 20 10 BDCDRP C[NH2+]CCC[NH2+][C@H](C)c1ccccc1O ZINC000238337832 642804129 /nfs/dbraw/zinc/80/41/29/642804129.db2.gz HKHYDJIPMOPOGX-SNVBAGLBSA-N 2 0 208.305 1.652 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000070955787 643085733 /nfs/dbraw/zinc/08/57/33/643085733.db2.gz JSGGXZZHSJSTBG-NSHDSACASA-N 2 0 220.316 1.481 20 10 BDCDRP CN(C)c1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723678483 711533976 /nfs/dbraw/zinc/53/39/76/711533976.db2.gz UFGFUXURHAYYQI-AWEZNQCLSA-N 2 0 247.386 1.923 20 10 BDCDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000168514854 711684546 /nfs/dbraw/zinc/68/45/46/711684546.db2.gz KXMIPCKVRURRCB-WDEREUQCSA-N 2 0 220.316 1.561 20 10 BDCDRP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1O ZINC000227742660 711832729 /nfs/dbraw/zinc/83/27/29/711832729.db2.gz YCRPECFCLXYNHK-UHFFFAOYSA-N 2 0 228.723 1.826 20 10 BDCDRP CCc1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204800468 967176746 /nfs/dbraw/zinc/17/67/46/967176746.db2.gz DEUMIAREKRBVLF-CQSZACIVSA-N 2 0 234.343 1.878 20 10 BDCDRP C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC001205317943 967529857 /nfs/dbraw/zinc/52/98/57/967529857.db2.gz QXLSHAPMSMURMJ-YPMHNXCESA-N 2 0 233.359 1.686 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001328678547 973263615 /nfs/dbraw/zinc/26/36/15/973263615.db2.gz YGQBZPGACXZMBC-LLVKDONJSA-N 2 0 236.359 1.949 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001334774448 976641266 /nfs/dbraw/zinc/64/12/66/976641266.db2.gz HYQYEUWZVULDIL-UHFFFAOYSA-N 2 0 245.370 1.844 20 10 BDCDRP C[C@H]1CN(Cc2ccc(N)cc2)CCC[NH2+]1 ZINC001236100068 979390003 /nfs/dbraw/zinc/39/00/03/979390003.db2.gz CKBJAVDCQMCKBN-NSHDSACASA-N 2 0 219.332 1.453 20 10 BDCDRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000040592064 985147639 /nfs/dbraw/zinc/14/76/39/985147639.db2.gz AGPZNXNIQVDWLB-GFCCVEGCSA-N 2 0 234.343 1.824 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246466617 987826696 /nfs/dbraw/zinc/82/66/96/987826696.db2.gz PQNZZYLEZKMLOS-CQSZACIVSA-N 2 0 233.359 1.543 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001118122434 988028024 /nfs/dbraw/zinc/02/80/24/988028024.db2.gz WTXWLGFKGBANEA-ZYHUDNBSSA-N 2 0 234.343 1.825 20 10 BDCDRP Nc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001120370689 989641295 /nfs/dbraw/zinc/64/12/95/989641295.db2.gz DMIFOOCYBKCMMR-OLZOCXBDSA-N 2 0 219.332 1.628 20 10 BDCDRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000380056175 993312933 /nfs/dbraw/zinc/31/29/33/993312933.db2.gz NHXGIPOUQMVYIS-LBPRGKRZSA-N 2 0 234.343 1.953 20 10 BDCDRP CN(C)c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000841034171 584033295 /nfs/dbraw/zinc/03/32/95/584033295.db2.gz APYOZHBDIJVNOI-CQSZACIVSA-N 2 0 247.386 1.842 20 10 BDCDRP CN(C)c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000841034165 584033373 /nfs/dbraw/zinc/03/33/73/584033373.db2.gz APYOZHBDIJVNOI-AWEZNQCLSA-N 2 0 247.386 1.842 20 10 BDCDRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000902486091 584625494 /nfs/dbraw/zinc/62/54/94/584625494.db2.gz PDFNJVDGMWUIIE-YUSALJHKSA-N 2 0 232.327 1.706 20 10 BDCDRP Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421186 584882198 /nfs/dbraw/zinc/88/21/98/584882198.db2.gz RSCAMUNXNWFTQM-WCQYABFASA-N 2 0 232.327 1.434 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000817895027 586835329 /nfs/dbraw/zinc/83/53/29/586835329.db2.gz SVXNKSFUAVEUSG-LBPRGKRZSA-N 2 0 247.386 1.759 20 10 BDCDRP C[NH2+]CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817943759 586846007 /nfs/dbraw/zinc/84/60/07/586846007.db2.gz SBBGFHPGUTXSLZ-NSHDSACASA-N 2 0 220.316 1.579 20 10 BDCDRP C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817958523 586850500 /nfs/dbraw/zinc/85/05/00/586850500.db2.gz WPLYWENEEABAMI-RISCZKNCSA-N 2 0 233.359 1.541 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000817961609 586852417 /nfs/dbraw/zinc/85/24/17/586852417.db2.gz ANJGINWLVUVUOV-ZJUUUORDSA-N 2 0 238.331 1.646 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817962956 586852480 /nfs/dbraw/zinc/85/24/80/586852480.db2.gz PSYGJIQEARGIKX-NEPJUHHUSA-N 2 0 235.375 1.998 20 10 BDCDRP [NH3+][C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000817964769 586854062 /nfs/dbraw/zinc/85/40/62/586854062.db2.gz HJHGBZGWEIIBHN-VXGBXAGGSA-N 2 0 232.327 1.706 20 10 BDCDRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817977617 586861659 /nfs/dbraw/zinc/86/16/59/586861659.db2.gz LRJWHDWNULJTKD-HLTSFMKQSA-N 2 0 226.295 1.918 20 10 BDCDRP Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032662 587936933 /nfs/dbraw/zinc/93/69/33/587936933.db2.gz IRETYQPLQSGJAZ-SNVBAGLBSA-N 2 0 238.306 1.621 20 10 BDCDRP Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032660 587937033 /nfs/dbraw/zinc/93/70/33/587937033.db2.gz IRETYQPLQSGJAZ-JTQLQIEISA-N 2 0 238.306 1.621 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(F)ccc1O ZINC000841047983 587938869 /nfs/dbraw/zinc/93/88/69/587938869.db2.gz FMWXMZJTYYFNGR-QMMMGPOBSA-N 2 0 212.268 1.216 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]Cc1c(O)cccc1Cl ZINC000841049159 587939811 /nfs/dbraw/zinc/93/98/11/587939811.db2.gz NRUSLVXXYPEHME-QMMMGPOBSA-N 2 0 228.723 1.730 20 10 BDCDRP C[C@@H](CC[NH3+])[NH2+]Cc1c(O)cccc1Cl ZINC000841052451 587940282 /nfs/dbraw/zinc/94/02/82/587940282.db2.gz XCYCCKJCYKHKGJ-QMMMGPOBSA-N 2 0 228.723 1.873 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1O ZINC000841084090 587945510 /nfs/dbraw/zinc/94/55/10/587945510.db2.gz FZVVQSXDDKLBTG-DGCLKSJQSA-N 2 0 234.343 1.918 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000843115710 588082811 /nfs/dbraw/zinc/08/28/11/588082811.db2.gz JJGKIILUCOCJOU-CQSZACIVSA-N 2 0 234.343 1.871 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843120442 588083650 /nfs/dbraw/zinc/08/36/50/588083650.db2.gz KRPNTNIKKMOGJX-HNNXBMFYSA-N 2 0 246.354 1.886 20 10 BDCDRP COc1cccc(O)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000843126780 588084725 /nfs/dbraw/zinc/08/47/25/588084725.db2.gz ADLVKWBAOSNCEB-UWVGGRQHSA-N 2 0 238.331 1.616 20 10 BDCDRP COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1O ZINC000843129822 588085580 /nfs/dbraw/zinc/08/55/80/588085580.db2.gz RPBWINLHBNCPQD-ZJUUUORDSA-N 2 0 238.331 1.616 20 10 BDCDRP CCc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000848889115 588417691 /nfs/dbraw/zinc/41/76/91/588417691.db2.gz FUUJTCYXZCFVAQ-OKILXGFUSA-N 2 0 246.354 1.606 20 10 BDCDRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1O ZINC000863547924 589298546 /nfs/dbraw/zinc/29/85/46/589298546.db2.gz SJTOBKWZUNLZAW-LLVKDONJSA-N 2 0 238.331 1.408 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000128909085 591176843 /nfs/dbraw/zinc/17/68/43/591176843.db2.gz JJQYXJWIRIKJQF-AWEZNQCLSA-N 2 0 247.386 1.984 20 10 BDCDRP [NH3+]CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000219482999 592226245 /nfs/dbraw/zinc/22/62/45/592226245.db2.gz LZGXJAOZAIGNJK-UHFFFAOYSA-N 2 0 238.306 1.702 20 10 BDCDRP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000310379966 632734484 /nfs/dbraw/zinc/73/44/84/632734484.db2.gz PIBZKIIYWGNPCA-CYBMUJFWSA-N 2 0 238.306 1.702 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000258798217 635204563 /nfs/dbraw/zinc/20/45/63/635204563.db2.gz QZQCORAIHOJZRK-SNVBAGLBSA-N 2 0 220.316 1.306 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508303 638178927 /nfs/dbraw/zinc/17/89/27/638178927.db2.gz LWCRQDCHOVNAAK-XYPYZODXSA-N 2 0 206.289 1.280 20 10 BDCDRP Cc1cc(CN2CCC[NH2+]CC2)ccc1N(C)C ZINC000923278633 644311101 /nfs/dbraw/zinc/31/11/01/644311101.db2.gz XKTZIMAZEXGMFJ-UHFFFAOYSA-N 2 0 247.386 1.856 20 10 BDCDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000724090543 711560181 /nfs/dbraw/zinc/56/01/81/711560181.db2.gz SAZYQIYSHTUEAV-JQWIXIFHSA-N 2 0 220.316 1.609 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CC[NH2+]1 ZINC000709372061 712220570 /nfs/dbraw/zinc/22/05/70/712220570.db2.gz SYVZTLIIAKYDFZ-ZYHUDNBSSA-N 2 0 220.316 1.622 20 10 BDCDRP CN(C)c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000386458309 711029950 /nfs/dbraw/zinc/02/99/50/711029950.db2.gz SGDRVJALXNOZON-OAHLLOKOSA-N 2 0 247.386 1.923 20 10 BDCDRP CC1(C)CN(Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001336287219 977618519 /nfs/dbraw/zinc/61/85/19/977618519.db2.gz YCYCNQZODAWTIU-GFCCVEGCSA-N 2 0 219.332 1.438 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC001327415263 972573190 /nfs/dbraw/zinc/57/31/90/972573190.db2.gz JJINVHIBPHQJRX-SNVBAGLBSA-N 2 0 238.331 1.346 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CC[NH2+]1 ZINC001246318809 972278431 /nfs/dbraw/zinc/27/84/31/972278431.db2.gz VPWNLZVHHMEKLI-MWLCHTKSSA-N 2 0 236.315 1.328 20 10 BDCDRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204279071 966961705 /nfs/dbraw/zinc/96/17/05/966961705.db2.gz PIPDVDQGBGSRMJ-TXEJJXNPSA-N 2 0 248.326 1.091 20 10 BDCDRP CCc1ccc(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204800467 967175769 /nfs/dbraw/zinc/17/57/69/967175769.db2.gz DEUMIAREKRBVLF-AWEZNQCLSA-N 2 0 234.343 1.878 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117155 967363374 /nfs/dbraw/zinc/36/33/74/967363374.db2.gz MCCMFHZVORCAJC-GFCCVEGCSA-N 2 0 219.332 1.582 20 10 BDCDRP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001205917519 967883337 /nfs/dbraw/zinc/88/33/37/967883337.db2.gz ZPSVWAHVZXVTRF-YPMHNXCESA-N 2 0 233.359 1.828 20 10 BDCDRP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2O)CC[C@@H]1F ZINC001206154033 974315359 /nfs/dbraw/zinc/31/53/59/974315359.db2.gz GLRFEOSAXRILHI-NWDGAFQWSA-N 2 0 238.306 1.653 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1O ZINC001345100669 980548241 /nfs/dbraw/zinc/54/82/41/980548241.db2.gz USKRMWJVLVMJTR-SECBINFHSA-N 2 0 242.750 1.991 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(OC)c1O ZINC001326076597 982516223 /nfs/dbraw/zinc/51/62/23/982516223.db2.gz PSMPUNJNBWTYKK-SNVBAGLBSA-N 2 0 238.331 1.488 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(OC)ccc1O ZINC001325268069 989139418 /nfs/dbraw/zinc/13/94/18/989139418.db2.gz OTPFSAPTEBMEDF-JTQLQIEISA-N 2 0 238.331 1.488 20 10 BDCDRP CC1([NH3+])CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120269722 989624119 /nfs/dbraw/zinc/62/41/19/989624119.db2.gz ZZOQUDNDTUWFPI-UHFFFAOYSA-N 2 0 219.332 1.582 20 10 BDCDRP C[NH+](C)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296126486 388418590 /nfs/dbraw/zinc/41/85/90/388418590.db2.gz VPBFAMLFJOBPJI-LBPRGKRZSA-N 2 0 234.343 1.921 20 10 BDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000034823186 536421129 /nfs/dbraw/zinc/42/11/29/536421129.db2.gz KMLXSUDYVWLDNK-UHFFFAOYSA-N 2 0 245.370 1.690 20 10 BDCDRP [NH3+]C1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000841052405 584125357 /nfs/dbraw/zinc/12/53/57/584125357.db2.gz VETXBQLPUFMJNP-UHFFFAOYSA-N 2 0 206.289 1.363 20 10 BDCDRP Cc1ccc(O)c([C@@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902408161 584574732 /nfs/dbraw/zinc/57/47/32/584574732.db2.gz XHPHONPOFUZVBG-SNVBAGLBSA-N 2 0 220.316 1.843 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964696 584833993 /nfs/dbraw/zinc/83/39/93/584833993.db2.gz OXZURZPTXQQDJN-YPMHNXCESA-N 2 0 234.343 1.646 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000843053090 585332311 /nfs/dbraw/zinc/33/23/11/585332311.db2.gz YMDUMSBVQDQNOW-WCQYABFASA-N 2 0 234.343 1.870 20 10 BDCDRP Cc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056956 585335498 /nfs/dbraw/zinc/33/54/98/585335498.db2.gz DEEFFOSCOIUEPO-VXGBXAGGSA-N 2 0 234.343 1.870 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000843129852 586417444 /nfs/dbraw/zinc/41/74/44/586417444.db2.gz SDSCVKFENJCSOT-VHSXEESVSA-N 2 0 238.331 1.616 20 10 BDCDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817894123 586834002 /nfs/dbraw/zinc/83/40/02/586834002.db2.gz BTJNRLBMZOIQPS-NWDGAFQWSA-N 2 0 235.375 1.968 20 10 BDCDRP CC[NH2+]CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817942557 586845555 /nfs/dbraw/zinc/84/55/55/586845555.db2.gz AILIKWAMIUUYDT-LBPRGKRZSA-N 2 0 234.343 1.969 20 10 BDCDRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc(N)cc1 ZINC000817957060 586850857 /nfs/dbraw/zinc/85/08/57/586850857.db2.gz IDBGCSNCBGXYLX-GFCCVEGCSA-N 2 0 235.375 1.918 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817958112 586850880 /nfs/dbraw/zinc/85/08/80/586850880.db2.gz SEEMBMQCGVCCCZ-OCCSQVGLSA-N 2 0 233.359 1.528 20 10 BDCDRP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1O ZINC000817964726 586853906 /nfs/dbraw/zinc/85/39/06/586853906.db2.gz GJAJFKWPQPJNHI-BXKDBHETSA-N 2 0 220.316 1.780 20 10 BDCDRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1O ZINC000817964708 586854238 /nfs/dbraw/zinc/85/42/38/586854238.db2.gz FNJMDORJURGZPL-GFCCVEGCSA-N 2 0 220.316 1.652 20 10 BDCDRP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817978155 586861138 /nfs/dbraw/zinc/86/11/38/586861138.db2.gz XJKCRGBUGYGNOD-PQFRYHKHSA-N 2 0 232.327 1.569 20 10 BDCDRP C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](C)[NH3+] ZINC000817978194 586861664 /nfs/dbraw/zinc/86/16/64/586861664.db2.gz YGOVDJQJUIHOOZ-AEJSXWLSSA-N 2 0 208.305 1.779 20 10 BDCDRP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000817978092 586861697 /nfs/dbraw/zinc/86/16/97/586861697.db2.gz VTXAHTMJVUGNRM-UUIJZJDISA-N 2 0 246.354 1.877 20 10 BDCDRP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817978156 586862151 /nfs/dbraw/zinc/86/21/51/586862151.db2.gz XJKCRGBUGYGNOD-WUWHUORYSA-N 2 0 232.327 1.569 20 10 BDCDRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841028538 587936207 /nfs/dbraw/zinc/93/62/07/587936207.db2.gz BEPXDNDAURPTBT-ZIAGYGMSSA-N 2 0 246.354 1.839 20 10 BDCDRP COc1cccc(CNC[C@@H]2CCC[NH2+]2)c1O ZINC000841035151 587937273 /nfs/dbraw/zinc/93/72/73/587937273.db2.gz IGIFXMBYPZWZQH-NSHDSACASA-N 2 0 236.315 1.242 20 10 BDCDRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1ccc(N)cc1 ZINC000841038786 587937703 /nfs/dbraw/zinc/93/77/03/587937703.db2.gz QGVHRWDNFPEQEM-DOMZBBRYSA-N 2 0 247.386 1.932 20 10 BDCDRP C[C@@H]1C[C@@H](C[NH2+]CCc2ccc(N)cc2)CC[NH2+]1 ZINC000841037597 587938113 /nfs/dbraw/zinc/93/81/13/587938113.db2.gz AZTURAPXUIGATL-OCCSQVGLSA-N 2 0 247.386 1.789 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841048705 587940205 /nfs/dbraw/zinc/94/02/05/587940205.db2.gz KZZXZSWBOPQLDM-ZFDPJTLLSA-N 2 0 247.386 1.950 20 10 BDCDRP CCOc1ccc(C[NH2+][C@@H](C)CC[NH3+])c(O)c1 ZINC000841050924 587940213 /nfs/dbraw/zinc/94/02/13/587940213.db2.gz KZJSINUUOMNDLW-JTQLQIEISA-N 2 0 238.331 1.618 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000841050513 587940317 /nfs/dbraw/zinc/94/03/17/587940317.db2.gz HMKRJQOTCRUTGT-SNVBAGLBSA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000841081372 587944820 /nfs/dbraw/zinc/94/48/20/587944820.db2.gz WBMNQUBSWVRPOH-NSHDSACASA-N 2 0 222.332 1.918 20 10 BDCDRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1O ZINC000842472457 588029491 /nfs/dbraw/zinc/02/94/91/588029491.db2.gz YLVNBKKNBKNPGS-LBPRGKRZSA-N 2 0 234.343 1.824 20 10 BDCDRP CC(C)([NH3+])CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058165 588077663 /nfs/dbraw/zinc/07/76/63/588077663.db2.gz MXMQYSCNBKEWIK-UHFFFAOYSA-N 2 0 233.359 1.635 20 10 BDCDRP CCc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000848889117 588417633 /nfs/dbraw/zinc/41/76/33/588417633.db2.gz FUUJTCYXZCFVAQ-ZIAGYGMSSA-N 2 0 246.354 1.606 20 10 BDCDRP COc1ccc(N2CC[C@H]([NH2+]CCC[NH3+])C2)cc1 ZINC000849350542 588475040 /nfs/dbraw/zinc/47/50/40/588475040.db2.gz PSVAHAJVSHCNFF-LBPRGKRZSA-N 2 0 249.358 1.212 20 10 BDCDRP CN(C)c1ccc(C[N@H+](C)CCC[NH3+])cc1 ZINC000084934201 631455611 /nfs/dbraw/zinc/45/56/11/631455611.db2.gz WFXFYGOBKIKTSQ-UHFFFAOYSA-N 2 0 221.348 1.533 20 10 BDCDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000310490079 632748556 /nfs/dbraw/zinc/74/85/56/632748556.db2.gz FTQCVVYOTVAVRO-GFCCVEGCSA-N 2 0 235.375 1.970 20 10 BDCDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000070169760 642986751 /nfs/dbraw/zinc/98/67/51/642986751.db2.gz YVGDPDCQHZNYIB-LBPRGKRZSA-N 2 0 234.343 1.953 20 10 BDCDRP COc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000090320514 644588979 /nfs/dbraw/zinc/58/89/79/644588979.db2.gz FDVLGNMKQYNOFM-RYUDHWBXSA-N 2 0 248.326 1.052 20 10 BDCDRP C[C@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1C[NH3+] ZINC000253189194 644944311 /nfs/dbraw/zinc/94/43/11/644944311.db2.gz KFVCFYCSMTYJDP-WCQYABFASA-N 2 0 234.343 1.809 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000381309955 710619914 /nfs/dbraw/zinc/61/99/14/710619914.db2.gz CSJMYALGJNEVFZ-JSGCOSHPSA-N 2 0 246.354 1.884 20 10 BDCDRP [NH3+]CCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001236072565 979361495 /nfs/dbraw/zinc/36/14/95/979361495.db2.gz JSFHMCKAIIWFOB-UHFFFAOYSA-N 2 0 220.316 1.489 20 10 BDCDRP CC[NH+]1CCN(c2ccc(C[NH+](C)C)cc2)CC1 ZINC001140299623 958174875 /nfs/dbraw/zinc/17/48/75/958174875.db2.gz CGQHZSMQMJXALY-UHFFFAOYSA-N 2 0 247.386 1.890 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@H]1C[NH3+] ZINC000708889965 960077785 /nfs/dbraw/zinc/07/77/85/960077785.db2.gz UIZYDWRGZZOAHS-GXSJLCMTSA-N 2 0 236.315 1.124 20 10 BDCDRP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001205102647 967348794 /nfs/dbraw/zinc/34/87/94/967348794.db2.gz VDBFZVHWVZSELJ-GFCCVEGCSA-N 2 0 238.306 1.845 20 10 BDCDRP Nc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC001334774491 976643127 /nfs/dbraw/zinc/64/31/27/976643127.db2.gz JZLQYSTWUJVOHP-AWEZNQCLSA-N 2 0 233.359 1.891 20 10 BDCDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774814 976645178 /nfs/dbraw/zinc/64/51/78/976645178.db2.gz OXZWRQCUCPYWFC-WCQYABFASA-N 2 0 233.359 1.828 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC001335285333 976924938 /nfs/dbraw/zinc/92/49/38/976924938.db2.gz NPOJPRKLPHKIQG-GFCCVEGCSA-N 2 0 219.332 1.440 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC001336287253 977619569 /nfs/dbraw/zinc/61/95/69/977619569.db2.gz ZLXCWXROESTOCC-LLVKDONJSA-N 2 0 205.305 1.049 20 10 BDCDRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000044527857 181460118 /nfs/dbraw/zinc/46/01/18/181460118.db2.gz XZMNGNPNTAKLTM-LLVKDONJSA-N 2 0 220.316 1.563 20 10 BDCDRP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1O ZINC000019958451 384563904 /nfs/dbraw/zinc/56/39/04/384563904.db2.gz SFHCJGWSUZQNPG-LLVKDONJSA-N 2 0 222.332 1.995 20 10 BDCDRP Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2C)c(O)c1 ZINC000896554509 583811971 /nfs/dbraw/zinc/81/19/71/583811971.db2.gz ULQUBPYUMWHJHT-AAEUAGOBSA-N 2 0 234.343 1.883 20 10 BDCDRP Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c(O)c1 ZINC000896554510 583812217 /nfs/dbraw/zinc/81/22/17/583812217.db2.gz ULQUBPYUMWHJHT-DGCLKSJQSA-N 2 0 234.343 1.883 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000841062474 584126375 /nfs/dbraw/zinc/12/63/75/584126375.db2.gz XDYVJAZUXKFROK-FZMZJTMJSA-N 2 0 246.354 1.852 20 10 BDCDRP Cc1cc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903964535 584834088 /nfs/dbraw/zinc/83/40/88/584834088.db2.gz KREBZRMCEXLHHD-OCCSQVGLSA-N 2 0 248.370 1.954 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1C[NH3+] ZINC000904411545 584879526 /nfs/dbraw/zinc/87/95/26/584879526.db2.gz MELHORFVXSZWOO-RYUDHWBXSA-N 2 0 234.343 1.809 20 10 BDCDRP COc1cccc(O)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770396044 585573774 /nfs/dbraw/zinc/57/37/74/585573774.db2.gz YEDGDTPMKQPWST-PHIMTYICSA-N 2 0 248.326 1.052 20 10 BDCDRP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)ccc1O ZINC000817960660 586852089 /nfs/dbraw/zinc/85/20/89/586852089.db2.gz PDLSIPLKROHPFS-QMMMGPOBSA-N 2 0 226.295 1.919 20 10 BDCDRP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1O ZINC000817964727 586853990 /nfs/dbraw/zinc/85/39/90/586853990.db2.gz GJAJFKWPQPJNHI-CABZTGNLSA-N 2 0 220.316 1.780 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817973262 586859788 /nfs/dbraw/zinc/85/97/88/586859788.db2.gz RXESBEBXFNSXGY-BDAKNGLRSA-N 2 0 224.304 1.399 20 10 BDCDRP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C)cc1O ZINC000817977230 586861806 /nfs/dbraw/zinc/86/18/06/586861806.db2.gz FDZSPMGZRZYSRG-COMQUAJESA-N 2 0 246.354 1.959 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817978192 586862041 /nfs/dbraw/zinc/86/20/41/586862041.db2.gz XYIVZXFHGNSNBC-HDRXNWCYSA-N 2 0 248.326 1.269 20 10 BDCDRP COc1ccc(O)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000841026499 587935700 /nfs/dbraw/zinc/93/57/00/587935700.db2.gz FFLVJTYRMFHBSI-UHFFFAOYSA-N 2 0 236.315 1.242 20 10 BDCDRP CC[NH2+]CCNCc1cc(OC)ccc1O ZINC000841034780 587937036 /nfs/dbraw/zinc/93/70/36/587937036.db2.gz DJVSVBCUPZSEQR-UHFFFAOYSA-N 2 0 224.304 1.100 20 10 BDCDRP C[NH2+]CCNC/C=C/c1ccc(N(C)C)cc1 ZINC000841034606 587937332 /nfs/dbraw/zinc/93/73/32/587937332.db2.gz APZPGRQTPNNAGL-SNAWJCMRSA-N 2 0 233.359 1.575 20 10 BDCDRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1ccc(N)cc1 ZINC000841038787 587938509 /nfs/dbraw/zinc/93/85/09/587938509.db2.gz QGVHRWDNFPEQEM-IUODEOHRSA-N 2 0 247.386 1.932 20 10 BDCDRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1O ZINC000841048317 587939487 /nfs/dbraw/zinc/93/94/87/587939487.db2.gz HHCBCSBDZOQTTR-QMMMGPOBSA-N 2 0 228.723 1.730 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841048698 587939762 /nfs/dbraw/zinc/93/97/62/587939762.db2.gz KZZXZSWBOPQLDM-DSYXLKISSA-N 2 0 247.386 1.950 20 10 BDCDRP COc1cccc(O)c1C[NH2+][C@H](C)CC[NH3+] ZINC000841052046 587940105 /nfs/dbraw/zinc/94/01/05/587940105.db2.gz UEQJDLWDOXDERU-SECBINFHSA-N 2 0 224.304 1.228 20 10 BDCDRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841058003 587940525 /nfs/dbraw/zinc/94/05/25/587940525.db2.gz DPJGAQOAFIYNQC-FZMZJTMJSA-N 2 0 246.354 1.709 20 10 BDCDRP Oc1ccc(F)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058836 587940697 /nfs/dbraw/zinc/94/06/97/587940697.db2.gz VZASWFWOYSACMV-LBPRGKRZSA-N 2 0 238.306 1.763 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841063224 587941462 /nfs/dbraw/zinc/94/14/62/587941462.db2.gz GBRBYNFGSBKRRW-YPMHNXCESA-N 2 0 234.343 1.788 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000841061402 587941736 /nfs/dbraw/zinc/94/17/36/587941736.db2.gz IHTIKOBEDZSVDH-AAEUAGOBSA-N 2 0 234.343 1.931 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000841076992 587944073 /nfs/dbraw/zinc/94/40/73/587944073.db2.gz VXYKDLPITNOBDF-DTWKUNHWSA-N 2 0 224.304 1.226 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[N@H+](C)CCC[NH3+] ZINC000843050690 588077056 /nfs/dbraw/zinc/07/70/56/588077056.db2.gz PMPDUCGBSWHIKR-UHFFFAOYSA-N 2 0 235.375 1.842 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843120443 588083909 /nfs/dbraw/zinc/08/39/09/588083909.db2.gz KRPNTNIKKMOGJX-OAHLLOKOSA-N 2 0 246.354 1.886 20 10 BDCDRP CCc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000848889113 588417877 /nfs/dbraw/zinc/41/78/77/588417877.db2.gz FUUJTCYXZCFVAQ-KBPBESRZSA-N 2 0 246.354 1.606 20 10 BDCDRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000873249907 590007304 /nfs/dbraw/zinc/00/73/04/590007304.db2.gz NJAQSOLUJJUPBW-ADEWGFFLSA-N 2 0 232.327 1.706 20 10 BDCDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2O)CC1 ZINC000104136513 592601107 /nfs/dbraw/zinc/60/11/07/592601107.db2.gz YCBPLBAJGDFXCX-LLVKDONJSA-N 2 0 234.343 1.951 20 10 BDCDRP C[C@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000220517936 635308380 /nfs/dbraw/zinc/30/83/80/635308380.db2.gz RZWYPOSMZMENSZ-SNVBAGLBSA-N 2 0 220.316 1.448 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904451406 637415948 /nfs/dbraw/zinc/41/59/48/637415948.db2.gz YMVFMUDFSOVKKP-UHFFFAOYSA-N 2 0 206.289 1.282 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508306 638179395 /nfs/dbraw/zinc/17/93/95/638179395.db2.gz MFKLPHRIVZGSFK-HAQNSBGRSA-N 2 0 219.332 1.332 20 10 BDCDRP [NH3+]C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000906509239 638181348 /nfs/dbraw/zinc/18/13/48/638181348.db2.gz BVFDJBIZQAHBGP-UHFFFAOYSA-N 2 0 218.300 1.201 20 10 BDCDRP C[N@H+](Cc1ccccc1O)CC(C)(C)C[NH3+] ZINC000086637516 644157821 /nfs/dbraw/zinc/15/78/21/644157821.db2.gz BZZLHBIRGDOAGQ-UHFFFAOYSA-N 2 0 222.332 1.809 20 10 BDCDRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923281779 644313487 /nfs/dbraw/zinc/31/34/87/644313487.db2.gz PMUYARIXZLTDFP-AWEZNQCLSA-N 2 0 247.386 1.842 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CC[NH2+]1 ZINC000709372059 712220562 /nfs/dbraw/zinc/22/05/62/712220562.db2.gz SYVZTLIIAKYDFZ-PWSUYJOCSA-N 2 0 220.316 1.622 20 10 BDCDRP C[N@H+](Cc1ccccc1O)C1CC([NH3+])C1 ZINC000384713125 710950654 /nfs/dbraw/zinc/95/06/54/710950654.db2.gz FALDBHTWCCSQKN-UHFFFAOYSA-N 2 0 206.289 1.314 20 10 BDCDRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000723712724 711536102 /nfs/dbraw/zinc/53/61/02/711536102.db2.gz RNROPVYEDNSJPK-NSHDSACASA-N 2 0 220.316 1.563 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000724060886 711558933 /nfs/dbraw/zinc/55/89/33/711558933.db2.gz XVHKWDSERYZAKT-KGLIPLIRSA-N 2 0 247.386 1.970 20 10 BDCDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000724090541 711560017 /nfs/dbraw/zinc/56/00/17/711560017.db2.gz SAZYQIYSHTUEAV-CMPLNLGQSA-N 2 0 220.316 1.609 20 10 BDCDRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1C ZINC000258658607 711739935 /nfs/dbraw/zinc/73/99/35/711739935.db2.gz BMGZGCWKZVDBQH-JTQLQIEISA-N 2 0 222.332 1.688 20 10 BDCDRP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1O ZINC000706710527 712152487 /nfs/dbraw/zinc/15/24/87/712152487.db2.gz LXFLQBAUPUTYHP-UHFFFAOYSA-N 2 0 238.331 1.060 20 10 BDCDRP COc1ccc(O)c(CN(C)CC(C)(C)[NH3+])c1 ZINC000709340458 712220258 /nfs/dbraw/zinc/22/02/58/712220258.db2.gz CWDRURDNHYSXKS-UHFFFAOYSA-N 2 0 238.331 1.570 20 10 BDCDRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(N(C)C)cc1 ZINC000037713724 712745025 /nfs/dbraw/zinc/74/50/25/712745025.db2.gz NRWCPZJGHTUQDA-LLVKDONJSA-N 2 0 221.348 1.752 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CC[NH2+]1 ZINC001246318810 972278142 /nfs/dbraw/zinc/27/81/42/972278142.db2.gz VPWNLZVHHMEKLI-ONGXEEELSA-N 2 0 236.315 1.328 20 10 BDCDRP C[C@H]([NH3+])c1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC001164281867 965826850 /nfs/dbraw/zinc/82/68/50/965826850.db2.gz PJZZHGATFYPBHI-ONGXEEELSA-N 2 0 205.305 1.244 20 10 BDCDRP C[C@H]([NH3+])c1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170059330 970112667 /nfs/dbraw/zinc/11/26/67/970112667.db2.gz GTIQQEFEOSFFSG-JTQLQIEISA-N 2 0 221.348 1.880 20 10 BDCDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001335285586 976922732 /nfs/dbraw/zinc/92/27/32/976922732.db2.gz QEQFPBBKSBBCGL-GFCCVEGCSA-N 2 0 219.332 1.310 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(N)cc1 ZINC001352788805 982582706 /nfs/dbraw/zinc/58/27/06/982582706.db2.gz HOLYNRNGSYFPKT-DGCLKSJQSA-N 2 0 233.359 1.604 20 10 BDCDRP COc1cc(C)c(C[N@H+](C)CCC[NH3+])c(O)c1 ZINC001579145184 985810532 /nfs/dbraw/zinc/81/05/32/985810532.db2.gz WIHHVQJYPRPFML-UHFFFAOYSA-N 2 0 238.331 1.490 20 10 BDCDRP C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000699704010 987380240 /nfs/dbraw/zinc/38/02/40/987380240.db2.gz YUORTUJPCBFGQL-VXGBXAGGSA-N 2 0 234.343 1.870 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC001118122432 988024978 /nfs/dbraw/zinc/02/49/78/988024978.db2.gz WTXWLGFKGBANEA-JQWIXIFHSA-N 2 0 234.343 1.825 20 10 BDCDRP C[C@@H]1C[C@H]([N@@H+]2CCc3cccc(O)c3C2)CC[NH2+]1 ZINC001246870594 988628871 /nfs/dbraw/zinc/62/88/71/988628871.db2.gz VXTAIAIMPCCBJC-DGCLKSJQSA-N 2 0 246.354 1.891 20 10 BDCDRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N)cc1 ZINC001120268400 989622251 /nfs/dbraw/zinc/62/22/51/989622251.db2.gz DHIPQJVDIYXVOU-ZWNOBZJWSA-N 2 0 219.332 1.580 20 10 BDCDRP Nc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC001120371953 989647025 /nfs/dbraw/zinc/64/70/25/989647025.db2.gz WFCMMZGEWUXQBZ-UHFFFAOYSA-N 2 0 219.332 1.630 20 10 BDCDRP COc1cc(C[NH+](C)C)cc(C[NH+](C)C)c1O ZINC001139253402 991214330 /nfs/dbraw/zinc/21/43/30/991214330.db2.gz UMCYCLYKHDQHBA-UHFFFAOYSA-N 2 0 238.331 1.524 20 10 BDCDRP Nc1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC000379922019 993293906 /nfs/dbraw/zinc/29/39/06/993293906.db2.gz SDIPXPBFBKIUEK-GFCCVEGCSA-N 2 0 205.305 1.192 20 10 BDCDRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2O)CC1 ZINC000272100371 389029226 /nfs/dbraw/zinc/02/92/26/389029226.db2.gz VNJPAILKPUUOCU-UHFFFAOYSA-N 2 0 232.327 1.744 20 10 BDCDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000037643899 170017118 /nfs/dbraw/zinc/01/71/18/170017118.db2.gz VXZHJJGOGFXZEK-GFCCVEGCSA-N 2 0 234.343 1.824 20 10 BDCDRP COc1ccc(O)c(C[NH2+]CCC[NH+](C)C)c1 ZINC000020091909 175159443 /nfs/dbraw/zinc/15/94/43/175159443.db2.gz VDVQDFFQVLSDFH-UHFFFAOYSA-N 2 0 238.331 1.442 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000841037799 584081956 /nfs/dbraw/zinc/08/19/56/584081956.db2.gz XQRPCSDYQHTMAA-LBPRGKRZSA-N 2 0 234.343 1.790 20 10 BDCDRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)ccc1O ZINC000902485455 584625162 /nfs/dbraw/zinc/62/51/62/584625162.db2.gz KSQMHHWPJZLLBI-QXEWZRGKSA-N 2 0 238.306 1.919 20 10 BDCDRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1O ZINC000902486690 584626059 /nfs/dbraw/zinc/62/60/59/584626059.db2.gz HUXYIJOJGGNHOC-DCAQKATOSA-N 2 0 220.316 1.780 20 10 BDCDRP C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431457 584762041 /nfs/dbraw/zinc/76/20/41/584762041.db2.gz VHQZLSYUBRUTMO-YPMHNXCESA-N 2 0 234.343 1.951 20 10 BDCDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000817962958 584992872 /nfs/dbraw/zinc/99/28/72/584992872.db2.gz PSYGJIQEARGIKX-NWDGAFQWSA-N 2 0 235.375 1.998 20 10 BDCDRP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000775747937 585683749 /nfs/dbraw/zinc/68/37/49/585683749.db2.gz PAXXTTJBRJZWOI-BETUJISGSA-N 2 0 232.327 1.352 20 10 BDCDRP C[NH2+]CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817940894 586844925 /nfs/dbraw/zinc/84/49/25/586844925.db2.gz OWNRVRBFVIRVQB-JTQLQIEISA-N 2 0 238.331 1.661 20 10 BDCDRP C[NH2+]CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000817940878 586845075 /nfs/dbraw/zinc/84/50/75/586845075.db2.gz ONYIQMLIRZGBDR-VIFPVBQESA-N 2 0 226.295 1.791 20 10 BDCDRP CC[NH2+]CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817942555 586845227 /nfs/dbraw/zinc/84/52/27/586845227.db2.gz AILIKWAMIUUYDT-GFCCVEGCSA-N 2 0 234.343 1.969 20 10 BDCDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817958213 586850784 /nfs/dbraw/zinc/85/07/84/586850784.db2.gz SZESUKHNLPPXMO-SWLSCSKDSA-N 2 0 247.386 1.789 20 10 BDCDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000817961608 586852575 /nfs/dbraw/zinc/85/25/75/586852575.db2.gz ANJGINWLVUVUOV-VHSXEESVSA-N 2 0 238.331 1.646 20 10 BDCDRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817965138 586853699 /nfs/dbraw/zinc/85/36/99/586853699.db2.gz MOBVMOKLUUSNCA-LLVKDONJSA-N 2 0 233.359 1.623 20 10 BDCDRP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)ccc1O ZINC000817965963 586854624 /nfs/dbraw/zinc/85/46/24/586854624.db2.gz XSUNLGJHIFGGPC-PELKAZGASA-N 2 0 238.306 1.919 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1c(O)cccc1OC ZINC000841042673 587935510 /nfs/dbraw/zinc/93/55/10/587935510.db2.gz PKQLEDRUHQBVLE-UHFFFAOYSA-N 2 0 224.304 1.100 20 10 BDCDRP COc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1O ZINC000841028809 587936080 /nfs/dbraw/zinc/93/60/80/587936080.db2.gz HVPAINWJSJCTJG-NSHDSACASA-N 2 0 238.331 1.474 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1O ZINC000841050781 587939672 /nfs/dbraw/zinc/93/96/72/587939672.db2.gz UDEPHFAEERMYHW-LBPRGKRZSA-N 2 0 220.316 1.528 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000841050512 587939809 /nfs/dbraw/zinc/93/98/09/587939809.db2.gz HMKRJQOTCRUTGT-JTQLQIEISA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1cc(O)c(C[NH2+]C[C@H]([NH3+])C2CC2)cc1C ZINC000841049579 587940053 /nfs/dbraw/zinc/94/00/53/587940053.db2.gz LRIZUUYOYLKBDS-ZDUSSCGKSA-N 2 0 234.343 1.836 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@@H](C)CC[NH3+])cc1C ZINC000841052640 587940244 /nfs/dbraw/zinc/94/02/44/587940244.db2.gz VGZFMXPNGOMTCN-NSHDSACASA-N 2 0 222.332 1.836 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841061558 587941852 /nfs/dbraw/zinc/94/18/52/587941852.db2.gz KCIHKRWJMGXLTK-DGCLKSJQSA-N 2 0 234.343 1.931 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+]C[C@H]([NH3+])CC)c1 ZINC000841069919 587942803 /nfs/dbraw/zinc/94/28/03/587942803.db2.gz HOWSRQNTPHYAGZ-LLVKDONJSA-N 2 0 238.331 1.618 20 10 BDCDRP CCOc1cccc(C[NH2+]C[C@H]([NH3+])CC)c1O ZINC000841071708 587944464 /nfs/dbraw/zinc/94/44/64/587944464.db2.gz JGMUGFZEVLUWRZ-LLVKDONJSA-N 2 0 238.331 1.618 20 10 BDCDRP CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c(O)c1 ZINC000841078645 587945146 /nfs/dbraw/zinc/94/51/46/587945146.db2.gz GNVWEEQIQCRZJC-NXEZZACHSA-N 2 0 238.331 1.616 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843048426 588076125 /nfs/dbraw/zinc/07/61/25/588076125.db2.gz SZCAGGJMVUEUPG-CYBMUJFWSA-N 2 0 247.386 1.842 20 10 BDCDRP COc1cccc(O)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000843126781 588084124 /nfs/dbraw/zinc/08/41/24/588084124.db2.gz ADLVKWBAOSNCEB-VHSXEESVSA-N 2 0 238.331 1.616 20 10 BDCDRP COc1cccc(O)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000843126782 588084865 /nfs/dbraw/zinc/08/48/65/588084865.db2.gz ADLVKWBAOSNCEB-ZJUUUORDSA-N 2 0 238.331 1.616 20 10 BDCDRP CC(C)[C@@H](C[NH3+])C[NH2+]CCc1ccc(N)cc1 ZINC000873211129 589996654 /nfs/dbraw/zinc/99/66/54/589996654.db2.gz WDLVMGKZFIELLC-ZDUSSCGKSA-N 2 0 235.375 1.632 20 10 BDCDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000126809660 590459684 /nfs/dbraw/zinc/45/96/84/590459684.db2.gz IZIWIZHNIOPASS-OCCSQVGLSA-N 2 0 247.386 1.922 20 10 BDCDRP C[N@H+](Cc1cc(F)ccc1O)CC(C)(C)C[NH3+] ZINC000220325361 592302022 /nfs/dbraw/zinc/30/20/22/592302022.db2.gz UURGEKIFXNXOQN-UHFFFAOYSA-N 2 0 240.322 1.948 20 10 BDCDRP C[NH2+]C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000310362194 632732082 /nfs/dbraw/zinc/73/20/82/632732082.db2.gz UUITWRLJCPCQJT-UHFFFAOYSA-N 2 0 234.343 1.884 20 10 BDCDRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(F)ccc1O ZINC000220334486 635304251 /nfs/dbraw/zinc/30/42/51/635304251.db2.gz FZIMEWAYARIGJQ-BXKDBHETSA-N 2 0 238.306 1.843 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1O ZINC000906516734 638188458 /nfs/dbraw/zinc/18/84/58/638188458.db2.gz JFPYPOSWKUFDIP-XYPYZODXSA-N 2 0 206.289 1.280 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1[NH3+] ZINC000251830937 644825499 /nfs/dbraw/zinc/82/54/99/644825499.db2.gz PNNFQMRBBZTXKA-ZYHUDNBSSA-N 2 0 220.316 1.561 20 10 BDCDRP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817980864 644994029 /nfs/dbraw/zinc/99/40/29/644994029.db2.gz XQJKKTRMAGGVFJ-UWVGGRQHSA-N 2 0 238.331 1.789 20 10 BDCDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000220341196 645890107 /nfs/dbraw/zinc/89/01/07/645890107.db2.gz VTFCCNWUMBNNPC-ZJUUUORDSA-N 2 0 238.306 1.700 20 10 BDCDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1O ZINC000220338220 645890181 /nfs/dbraw/zinc/89/01/81/645890181.db2.gz XHYBWYSVKBHVCD-NXEZZACHSA-N 2 0 238.306 1.700 20 10 BDCDRP C[C@]1([NH3+])CCN(Cc2ccccc2O)C1 ZINC000405845397 959523979 /nfs/dbraw/zinc/52/39/79/959523979.db2.gz JVAWYCIWRIQFKS-LBPRGKRZSA-N 2 0 206.289 1.315 20 10 BDCDRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001205095455 965745275 /nfs/dbraw/zinc/74/52/75/965745275.db2.gz XRZGJWAFGASEOL-NSHDSACASA-N 2 0 236.315 1.411 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380666 966652689 /nfs/dbraw/zinc/65/26/89/966652689.db2.gz GQKWOQCNIISYIV-JSGCOSHPSA-N 2 0 246.354 1.966 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001336284515 977614903 /nfs/dbraw/zinc/61/49/03/977614903.db2.gz AMHMQJAMZWIEJG-ZYHUDNBSSA-N 2 0 219.332 1.295 20 10 BDCDRP CC[C@@H]1C[N@H+](Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001336286197 977615211 /nfs/dbraw/zinc/61/52/11/977615211.db2.gz OLRAFEYBVLLPBU-OCCSQVGLSA-N 2 0 233.359 1.828 20 10 BDCDRP Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(O)c1 ZINC001246238277 987638057 /nfs/dbraw/zinc/63/80/57/987638057.db2.gz FQWKEQWMZVPSPB-FOSCPWQOSA-N 2 0 248.326 1.470 20 10 BDCDRP Oc1cccc2c1C[N@@H+](C1CC[NH2+]CC1)CC2 ZINC001246866784 988619519 /nfs/dbraw/zinc/61/95/19/988619519.db2.gz DSGVJDFUQINREC-UHFFFAOYSA-N 2 0 232.327 1.502 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1cc(C)ccc1O ZINC001261370419 992277379 /nfs/dbraw/zinc/27/73/79/992277379.db2.gz JABKTMMOERXPPL-LLVKDONJSA-N 2 0 222.332 1.788 20 10 BDCDRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1O ZINC000226588591 386341617 /nfs/dbraw/zinc/34/16/17/386341617.db2.gz PNRNHKHQDXNWTK-JTQLQIEISA-N 2 0 240.322 1.961 20 10 BDCDRP C[NH+](C)CCCC[NH2+]Cc1cc(F)ccc1O ZINC000226588036 387949517 /nfs/dbraw/zinc/94/95/17/387949517.db2.gz PVIAITPSKPGLOJ-UHFFFAOYSA-N 2 0 240.322 1.963 20 10 BDCDRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(F)ccc1O ZINC000853247086 588728813 /nfs/dbraw/zinc/72/88/13/588728813.db2.gz BPQFYNXBEGCYDI-GFCCVEGCSA-N 2 0 240.322 1.994 20 10 BDCDRP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000857226541 588896132 /nfs/dbraw/zinc/89/61/32/588896132.db2.gz QUCPGBJOYHLZPH-JSGCOSHPSA-N 2 0 232.327 1.705 20 10 BDCDRP Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)c(O)c1 ZINC000896554511 583811522 /nfs/dbraw/zinc/81/15/22/583811522.db2.gz ULQUBPYUMWHJHT-WCQYABFASA-N 2 0 234.343 1.883 20 10 BDCDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841055528 584125920 /nfs/dbraw/zinc/12/59/20/584125920.db2.gz PCMNUMAKAJSOSP-ZIAGYGMSSA-N 2 0 246.354 1.981 20 10 BDCDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCC[NH2+]1 ZINC000903423212 584764422 /nfs/dbraw/zinc/76/44/22/584764422.db2.gz QMQKKJJOMCQDAA-CQSZACIVSA-N 2 0 245.370 1.650 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000841081358 584882763 /nfs/dbraw/zinc/88/27/63/584882763.db2.gz VLANYNTUUOZFON-JTQLQIEISA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000775747940 585683887 /nfs/dbraw/zinc/68/38/87/585683887.db2.gz PAXXTTJBRJZWOI-STQMWFEESA-N 2 0 232.327 1.352 20 10 BDCDRP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000817945622 586846286 /nfs/dbraw/zinc/84/62/86/586846286.db2.gz ICZSWODNQYKZKI-AAEUAGOBSA-N 2 0 246.354 1.969 20 10 BDCDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817958212 586850385 /nfs/dbraw/zinc/85/03/85/586850385.db2.gz SZESUKHNLPPXMO-IUODEOHRSA-N 2 0 247.386 1.789 20 10 BDCDRP [NH3+][C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000817964768 586854029 /nfs/dbraw/zinc/85/40/29/586854029.db2.gz HJHGBZGWEIIBHN-RYUDHWBXSA-N 2 0 232.327 1.706 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H](C)CC[NH3+])c1O ZINC000841049742 587935451 /nfs/dbraw/zinc/93/54/51/587935451.db2.gz GWNSUOGHENUFIM-JTQLQIEISA-N 2 0 208.305 1.528 20 10 BDCDRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1ccc(N)cc1 ZINC000841038789 587938413 /nfs/dbraw/zinc/93/84/13/587938413.db2.gz QGVHRWDNFPEQEM-WFASDCNBSA-N 2 0 247.386 1.932 20 10 BDCDRP COc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000841048130 587939302 /nfs/dbraw/zinc/93/93/02/587939302.db2.gz BWEHSUKCJZRXDL-GFCCVEGCSA-N 2 0 236.315 1.228 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000841051403 587939775 /nfs/dbraw/zinc/93/97/75/587939775.db2.gz OKGNPHDKSNQBRV-SNVBAGLBSA-N 2 0 208.305 1.528 20 10 BDCDRP CCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])c(O)c1 ZINC000841048554 587940137 /nfs/dbraw/zinc/94/01/37/587940137.db2.gz KCMMSYVSLUKKKG-JTQLQIEISA-N 2 0 238.331 1.475 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000841064481 587941288 /nfs/dbraw/zinc/94/12/88/587941288.db2.gz RBRFBUOKNYBATM-WCQYABFASA-N 2 0 234.343 1.788 20 10 BDCDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841085154 587946079 /nfs/dbraw/zinc/94/60/79/587946079.db2.gz VQOPANUXHMOCCO-JOYOIKCWSA-N 2 0 238.306 1.748 20 10 BDCDRP Cc1cc(O)c(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000843048552 588077097 /nfs/dbraw/zinc/07/70/97/588077097.db2.gz GZTFFYQYJPKGMJ-GFCCVEGCSA-N 2 0 234.343 1.790 20 10 BDCDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000843127419 588082055 /nfs/dbraw/zinc/08/20/55/588082055.db2.gz DGHDTVQYNBBWRQ-BDAKNGLRSA-N 2 0 226.295 1.747 20 10 BDCDRP COc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1O ZINC000843129820 588085507 /nfs/dbraw/zinc/08/55/07/588085507.db2.gz RPBWINLHBNCPQD-UWVGGRQHSA-N 2 0 238.331 1.616 20 10 BDCDRP C[NH2+]CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000843350612 588102437 /nfs/dbraw/zinc/10/24/37/588102437.db2.gz PYMQZOQYXUWQDX-UHFFFAOYSA-N 2 0 233.359 1.507 20 10 BDCDRP Cc1cccc(C[NH2+]CCOCCC[NH3+])c1O ZINC000863485309 589293486 /nfs/dbraw/zinc/29/34/86/589293486.db2.gz YSLAVZVKTFDMMR-UHFFFAOYSA-N 2 0 238.331 1.156 20 10 BDCDRP C[C@@H]([NH3+])CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000863653556 589306341 /nfs/dbraw/zinc/30/63/41/589306341.db2.gz NDDMIJJOBOUQCC-SNVBAGLBSA-N 2 0 239.338 1.671 20 10 BDCDRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219964164 592269296 /nfs/dbraw/zinc/26/92/96/592269296.db2.gz VKKMXWZKILFJTH-SNVBAGLBSA-N 2 0 238.306 1.573 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000310808021 632996020 /nfs/dbraw/zinc/99/60/20/632996020.db2.gz AJKSTMUXXCREEQ-HNNXBMFYSA-N 2 0 246.354 1.886 20 10 BDCDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000070171412 642986531 /nfs/dbraw/zinc/98/65/31/642986531.db2.gz GAFVFCMGSBPYQS-VXGBXAGGSA-N 2 0 234.343 1.951 20 10 BDCDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000070171411 642987252 /nfs/dbraw/zinc/98/72/52/642987252.db2.gz GAFVFCMGSBPYQS-NWDGAFQWSA-N 2 0 234.343 1.951 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000071409464 643141254 /nfs/dbraw/zinc/14/12/54/643141254.db2.gz FUISIVHWNWOGCB-GFCCVEGCSA-N 2 0 234.343 1.871 20 10 BDCDRP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090320320 643200373 /nfs/dbraw/zinc/20/03/73/643200373.db2.gz PSEWQDCDKADKLK-ZIAGYGMSSA-N 2 0 245.370 1.404 20 10 BDCDRP Cc1cc(C[NH+]2CCC([NH3+])CC2)ccc1N(C)C ZINC000923277201 644306326 /nfs/dbraw/zinc/30/63/26/644306326.db2.gz MIJGKFVQAWUJGY-UHFFFAOYSA-N 2 0 247.386 1.984 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000386108816 711022364 /nfs/dbraw/zinc/02/23/64/711022364.db2.gz LCDURRBYRSSPMM-IUODEOHRSA-N 2 0 247.386 1.840 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222147966 972393324 /nfs/dbraw/zinc/39/33/24/972393324.db2.gz GGVASMSWZOWXRK-OAHLLOKOSA-N 2 0 245.370 1.844 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222147965 972394059 /nfs/dbraw/zinc/39/40/59/972394059.db2.gz GGVASMSWZOWXRK-HNNXBMFYSA-N 2 0 245.370 1.844 20 10 BDCDRP Cc1cccc(O)c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053529 967308275 /nfs/dbraw/zinc/30/82/75/967308275.db2.gz OQYTVMKHNWMKKH-UHFFFAOYSA-N 2 0 234.343 1.871 20 10 BDCDRP C[C@@H]1CCN(Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001206043463 968007502 /nfs/dbraw/zinc/00/75/02/968007502.db2.gz FYLYTBNUMTVEAU-ZWNOBZJWSA-N 2 0 219.332 1.438 20 10 BDCDRP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(F)ccc1O ZINC001328677129 973257668 /nfs/dbraw/zinc/25/76/68/973257668.db2.gz KAXKTOKVKTWDTH-VIFPVBQESA-N 2 0 226.295 1.619 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001336117005 977518876 /nfs/dbraw/zinc/51/88/76/977518876.db2.gz KUPXHMURLZPTLP-CHWSQXEVSA-N 2 0 219.332 1.628 20 10 BDCDRP Nc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC001336287224 977619601 /nfs/dbraw/zinc/61/96/01/977619601.db2.gz YFXZUBATALXKQS-UHFFFAOYSA-N 2 0 245.370 1.985 20 10 BDCDRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992902 979276945 /nfs/dbraw/zinc/27/69/45/979276945.db2.gz SESDVYCUEGARAY-SWLSCSKDSA-N 2 0 246.354 1.932 20 10 BDCDRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000040592062 985149845 /nfs/dbraw/zinc/14/98/45/985149845.db2.gz AGPZNXNIQVDWLB-LBPRGKRZSA-N 2 0 234.343 1.824 20 10 BDCDRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(O)c1 ZINC001579696842 986175606 /nfs/dbraw/zinc/17/56/06/986175606.db2.gz IXJCAONCNZXVGJ-MNOVXSKESA-N 2 0 222.332 1.916 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC001118122433 988027875 /nfs/dbraw/zinc/02/78/75/988027875.db2.gz WTXWLGFKGBANEA-PWSUYJOCSA-N 2 0 234.343 1.825 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC001326036700 989335635 /nfs/dbraw/zinc/33/56/35/989335635.db2.gz UDWHVIOLMQNYLF-MNOVXSKESA-N 2 0 222.332 1.898 20 10 BDCDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001120370573 989643329 /nfs/dbraw/zinc/64/33/29/989643329.db2.gz AYTKKQLKEFBIQU-CYBMUJFWSA-N 2 0 233.359 1.747 20 10 BDCDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753482 994629544 /nfs/dbraw/zinc/62/95/44/994629544.db2.gz FFHYEKMCJBSBQH-ZYHUDNBSSA-N 2 0 219.332 1.438 20 10 BDCDRP Oc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649358 183303206 /nfs/dbraw/zinc/30/32/06/183303206.db2.gz CCJQMMIYKDCWTQ-LBPRGKRZSA-N 2 0 246.354 1.966 20 10 BDCDRP C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[NH+](C)C ZINC000291693705 385595368 /nfs/dbraw/zinc/59/53/68/385595368.db2.gz JHZAESLDFJZQTM-GFCCVEGCSA-N 2 0 248.370 1.909 20 10 BDCDRP Cc1ccc(O)c(CN(C)[C@H](C)C[NH3+])c1 ZINC000274697089 386314574 /nfs/dbraw/zinc/31/45/74/386314574.db2.gz WXJOKTQEPLXYPK-SNVBAGLBSA-N 2 0 208.305 1.480 20 10 BDCDRP CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000034823189 535478853 /nfs/dbraw/zinc/47/88/53/535478853.db2.gz OOWUBMFCXVPXAQ-UHFFFAOYSA-N 2 0 233.359 1.548 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000841081359 584882767 /nfs/dbraw/zinc/88/27/67/584882767.db2.gz VLANYNTUUOZFON-SNVBAGLBSA-N 2 0 238.331 1.618 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817963907 584992880 /nfs/dbraw/zinc/99/28/80/584992880.db2.gz YBKNCGLKGQRWFR-MWLCHTKSSA-N 2 0 220.316 1.564 20 10 BDCDRP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817980649 584994574 /nfs/dbraw/zinc/99/45/74/584994574.db2.gz WFAXKQLJADDYJS-QWRGUYRKSA-N 2 0 220.316 1.706 20 10 BDCDRP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000843047855 585331297 /nfs/dbraw/zinc/33/12/97/585331297.db2.gz YXDQSABYJFGVLZ-LBPRGKRZSA-N 2 0 234.343 1.871 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000843053080 585332344 /nfs/dbraw/zinc/33/23/44/585332344.db2.gz YMDUMSBVQDQNOW-AAEUAGOBSA-N 2 0 234.343 1.870 20 10 BDCDRP [NH3+]Cc1ccc2c(c1)CCCN2CC1(C[NH3+])CC1 ZINC000843058202 585337290 /nfs/dbraw/zinc/33/72/90/585337290.db2.gz OODUVJUANUPPTR-UHFFFAOYSA-N 2 0 245.370 1.637 20 10 BDCDRP Cc1cc(O)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000770395095 585573684 /nfs/dbraw/zinc/57/36/84/585573684.db2.gz OOPJACQIPRKUSF-ZIAGYGMSSA-N 2 0 246.354 1.660 20 10 BDCDRP COc1cccc(O)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000770396046 585573748 /nfs/dbraw/zinc/57/37/48/585573748.db2.gz YEDGDTPMKQPWST-QWRGUYRKSA-N 2 0 248.326 1.052 20 10 BDCDRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000817940390 586845173 /nfs/dbraw/zinc/84/51/73/586845173.db2.gz MHLJUZLYOGWMBC-LLVKDONJSA-N 2 0 222.332 1.961 20 10 BDCDRP Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000817954817 586849848 /nfs/dbraw/zinc/84/98/48/586849848.db2.gz KUFBECSPYBDVDQ-AAEUAGOBSA-N 2 0 246.354 1.969 20 10 BDCDRP C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCC[NH2+]1 ZINC000817958522 586850607 /nfs/dbraw/zinc/85/06/07/586850607.db2.gz WPLYWENEEABAMI-FZMZJTMJSA-N 2 0 233.359 1.541 20 10 BDCDRP CC(C)([NH3+])C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817960870 586852023 /nfs/dbraw/zinc/85/20/23/586852023.db2.gz SBGNDKGQAYFGSV-SNVBAGLBSA-N 2 0 220.316 1.706 20 10 BDCDRP Cc1ccc(O)c([C@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000817965388 586854269 /nfs/dbraw/zinc/85/42/69/586854269.db2.gz PWCHNBBLLQLKIZ-JTQLQIEISA-N 2 0 220.316 1.571 20 10 BDCDRP Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(O)c1C ZINC000817977073 586860873 /nfs/dbraw/zinc/86/08/73/586860873.db2.gz AHVIDJZNZGOVHZ-SCUASFONSA-N 2 0 246.354 1.877 20 10 BDCDRP CC[NH2+]CCNCc1cc(C)c(C)cc1O ZINC000841035504 587936968 /nfs/dbraw/zinc/93/69/68/587936968.db2.gz GWNGZHDBOWKABP-UHFFFAOYSA-N 2 0 222.332 1.708 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841047921 587939409 /nfs/dbraw/zinc/93/94/09/587939409.db2.gz DNRZHMOXDWANAG-SNVBAGLBSA-N 2 0 239.338 1.576 20 10 BDCDRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1O ZINC000841052048 587939742 /nfs/dbraw/zinc/93/97/42/587939742.db2.gz UFVLYIXZSNREDL-MRVPVSSYSA-N 2 0 228.723 1.873 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000841081371 587944597 /nfs/dbraw/zinc/94/45/97/587944597.db2.gz WBMNQUBSWVRPOH-LLVKDONJSA-N 2 0 222.332 1.918 20 10 BDCDRP CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000841080756 587944641 /nfs/dbraw/zinc/94/46/41/587944641.db2.gz QHSHZOVPKPUGJE-NXEZZACHSA-N 2 0 238.331 1.616 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841077278 587944996 /nfs/dbraw/zinc/94/49/96/587944996.db2.gz HOLTZIDYCJRRJU-PJXYFTJBSA-N 2 0 218.300 1.008 20 10 BDCDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841084147 587946068 /nfs/dbraw/zinc/94/60/68/587946068.db2.gz HKDNGDCPOISSTM-BXUZGUMPSA-N 2 0 246.354 1.839 20 10 BDCDRP C[C@]1(C[NH2+]CCc2ccc(N)cc2)CC[NH2+]C1 ZINC000843126750 588084812 /nfs/dbraw/zinc/08/48/12/588084812.db2.gz WEILOGRGZQUCFD-CQSZACIVSA-N 2 0 233.359 1.401 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000843129849 588085649 /nfs/dbraw/zinc/08/56/49/588085649.db2.gz SDSCVKFENJCSOT-NXEZZACHSA-N 2 0 238.331 1.616 20 10 BDCDRP Cc1cccc(O)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000876818588 590245698 /nfs/dbraw/zinc/24/56/98/590245698.db2.gz WKZRCUCCIKCTFL-RYUDHWBXSA-N 2 0 232.327 1.352 20 10 BDCDRP Oc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000162941402 633043309 /nfs/dbraw/zinc/04/33/09/633043309.db2.gz PZELZDNXQQTQSV-GFCCVEGCSA-N 2 0 220.316 1.624 20 10 BDCDRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1O ZINC000168845093 640829126 /nfs/dbraw/zinc/82/91/26/640829126.db2.gz LCYJMLUNZJSYGT-JQWIXIFHSA-N 2 0 220.316 1.704 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000083356449 643438593 /nfs/dbraw/zinc/43/85/93/643438593.db2.gz RDUPPONKBCCIHB-UHFFFAOYSA-N 2 0 228.723 1.745 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+]CCC[NH3+])c(O)c1 ZINC000037713483 712744586 /nfs/dbraw/zinc/74/45/86/712744586.db2.gz NVEGQCFTDCFHGK-SNVBAGLBSA-N 2 0 208.305 1.700 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000309423765 711697847 /nfs/dbraw/zinc/69/78/47/711697847.db2.gz WXLMLPULJYDTMC-PWSUYJOCSA-N 2 0 220.316 1.480 20 10 BDCDRP C[C@@]1([NH3+])CCN(Cc2ccccc2O)C1 ZINC000405845391 959528015 /nfs/dbraw/zinc/52/80/15/959528015.db2.gz JVAWYCIWRIQFKS-GFCCVEGCSA-N 2 0 206.289 1.315 20 10 BDCDRP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC001205095249 967341307 /nfs/dbraw/zinc/34/13/07/967341307.db2.gz WFADTZOIQVSNPN-LBPRGKRZSA-N 2 0 220.316 1.705 20 10 BDCDRP C[C@]1(C[NH2+]Cc2ccc(N)cc2)CCC[NH2+]C1 ZINC001120268493 968549691 /nfs/dbraw/zinc/54/96/91/968549691.db2.gz GFLFVYHTSNSLSR-AWEZNQCLSA-N 2 0 233.359 1.748 20 10 BDCDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1O ZINC001327415621 972570610 /nfs/dbraw/zinc/57/06/10/972570610.db2.gz KQQXUIAWCGPCBL-SNVBAGLBSA-N 2 0 208.305 1.337 20 10 BDCDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001336284927 977613634 /nfs/dbraw/zinc/61/36/34/977613634.db2.gz DXKONDUVQGTBMB-NXEZZACHSA-N 2 0 207.321 1.484 20 10 BDCDRP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992898 979278634 /nfs/dbraw/zinc/27/86/34/979278634.db2.gz SESDVYCUEGARAY-DOMZBBRYSA-N 2 0 246.354 1.932 20 10 BDCDRP COc1cc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(O)c1 ZINC001579144421 985811767 /nfs/dbraw/zinc/81/17/67/985811767.db2.gz FXHQSWVKWUJSPI-MGCOHNPYSA-N 2 0 236.315 1.289 20 10 BDCDRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(O)c1 ZINC001579696843 986181840 /nfs/dbraw/zinc/18/18/40/986181840.db2.gz IXJCAONCNZXVGJ-QWRGUYRKSA-N 2 0 222.332 1.916 20 10 BDCDRP C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000699704008 987381570 /nfs/dbraw/zinc/38/15/70/987381570.db2.gz YUORTUJPCBFGQL-RYUDHWBXSA-N 2 0 234.343 1.870 20 10 BDCDRP COc1cccc(O)c1C[NH2+]CCCC[NH3+] ZINC001117953388 987965943 /nfs/dbraw/zinc/96/59/43/987965943.db2.gz FYBLBEOQECFPTQ-UHFFFAOYSA-N 2 0 224.304 1.229 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC001326036701 989337761 /nfs/dbraw/zinc/33/77/61/989337761.db2.gz UDWHVIOLMQNYLF-QWRGUYRKSA-N 2 0 222.332 1.898 20 10 BDCDRP [NH3+]CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000044512001 181365429 /nfs/dbraw/zinc/36/54/29/181365429.db2.gz VOGOVNGMBQWIQO-UHFFFAOYSA-N 2 0 220.316 1.563 20 10 BDCDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000037643900 170008027 /nfs/dbraw/zinc/00/80/27/170008027.db2.gz VXZHJJGOGFXZEK-LBPRGKRZSA-N 2 0 234.343 1.824 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OC)c1O ZINC000841069483 584155066 /nfs/dbraw/zinc/15/50/66/584155066.db2.gz AEFUIABQCLIUAO-SNVBAGLBSA-N 2 0 224.304 1.228 20 10 BDCDRP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccccc1O ZINC000902413456 584599400 /nfs/dbraw/zinc/59/94/00/584599400.db2.gz LUNYUARXBGEEPQ-VIFPVBQESA-N 2 0 206.289 1.534 20 10 BDCDRP C[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311861 584863019 /nfs/dbraw/zinc/86/30/19/584863019.db2.gz JHPQSADQJLYSSB-KLPPZKSPSA-N 2 0 220.316 1.561 20 10 BDCDRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420393 584882195 /nfs/dbraw/zinc/88/21/95/584882195.db2.gz NDBKGGROKPLOQT-GXTWGEPZSA-N 2 0 246.354 1.742 20 10 BDCDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902096 586836249 /nfs/dbraw/zinc/83/62/49/586836249.db2.gz HZLRPDIFJKBNBF-WDEREUQCSA-N 2 0 234.343 1.837 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c(O)c1 ZINC000817962050 586847345 /nfs/dbraw/zinc/84/73/45/586847345.db2.gz HFEPSGURSZGYAX-WDEREUQCSA-N 2 0 222.332 1.946 20 10 BDCDRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccccc1O ZINC000817952229 586848352 /nfs/dbraw/zinc/84/83/52/586848352.db2.gz IRJLRNSTGUMCKE-VHSXEESVSA-N 2 0 208.305 1.780 20 10 BDCDRP Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000817954819 586849999 /nfs/dbraw/zinc/84/99/99/586849999.db2.gz KUFBECSPYBDVDQ-WCQYABFASA-N 2 0 246.354 1.969 20 10 BDCDRP Nc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817958110 586850621 /nfs/dbraw/zinc/85/06/21/586850621.db2.gz SEEMBMQCGVCCCZ-JSGCOSHPSA-N 2 0 233.359 1.528 20 10 BDCDRP CC(C)([NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817960869 586852074 /nfs/dbraw/zinc/85/20/74/586852074.db2.gz SBGNDKGQAYFGSV-JTQLQIEISA-N 2 0 220.316 1.706 20 10 BDCDRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000817978197 586861958 /nfs/dbraw/zinc/86/19/58/586861958.db2.gz YGOVDJQJUIHOOZ-UTLUCORTSA-N 2 0 208.305 1.779 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1O ZINC000841031022 587936569 /nfs/dbraw/zinc/93/65/69/587936569.db2.gz QWKKRAHVTBSCSK-LBPRGKRZSA-N 2 0 222.332 1.774 20 10 BDCDRP Cc1cccc(C[NH2+]CC(C)(C)[NH3+])c1O ZINC000841030357 587936771 /nfs/dbraw/zinc/93/67/71/587936771.db2.gz FTGHHJRGSRULPD-UHFFFAOYSA-N 2 0 208.305 1.528 20 10 BDCDRP C[NH2+]CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841041917 587938754 /nfs/dbraw/zinc/93/87/54/587938754.db2.gz KDHVRDZDSWWZKV-XQRVVYSFSA-N 2 0 247.386 1.965 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]Cc1cc(F)ccc1O ZINC000841047981 587939507 /nfs/dbraw/zinc/93/95/07/587939507.db2.gz FMWXMZJTYYFNGR-MRVPVSSYSA-N 2 0 212.268 1.216 20 10 BDCDRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1C ZINC000841051445 587939803 /nfs/dbraw/zinc/93/98/03/587939803.db2.gz QALXRUOVMGCWMD-NSHDSACASA-N 2 0 222.332 1.831 20 10 BDCDRP C[C@@]1(C[NH2+]Cc2ccccc2O)CCC[NH2+]C1 ZINC000841057451 587940786 /nfs/dbraw/zinc/94/07/86/587940786.db2.gz NHLMTAHCHLUCEA-CQSZACIVSA-N 2 0 234.343 1.872 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1O ZINC000841058579 587940808 /nfs/dbraw/zinc/94/08/08/587940808.db2.gz SYXUCLUWFTZHDM-CYBMUJFWSA-N 2 0 234.343 1.932 20 10 BDCDRP CC1([NH2+]Cc2ccccc2O)CC[NH2+]CC1 ZINC000841064769 587941245 /nfs/dbraw/zinc/94/12/45/587941245.db2.gz JHCRURUZONIXPB-UHFFFAOYSA-N 2 0 220.316 1.624 20 10 BDCDRP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841063221 587941455 /nfs/dbraw/zinc/94/14/55/587941455.db2.gz GBRBYNFGSBKRRW-AAEUAGOBSA-N 2 0 234.343 1.788 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841064841 587942037 /nfs/dbraw/zinc/94/20/37/587942037.db2.gz VBXQWEFJYCLMGO-SKDRFNHKSA-N 2 0 238.306 1.619 20 10 BDCDRP CC1([NH2+]Cc2ccc3c(c2)CCO3)CC[NH2+]CC1 ZINC000841065062 587942060 /nfs/dbraw/zinc/94/20/60/587942060.db2.gz MBAAPOLWJLAQHD-UHFFFAOYSA-N 2 0 246.354 1.853 20 10 BDCDRP CCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c(O)c1 ZINC000841078647 587944637 /nfs/dbraw/zinc/94/46/37/587944637.db2.gz GNVWEEQIQCRZJC-VHSXEESVSA-N 2 0 238.331 1.616 20 10 BDCDRP COc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1O ZINC000841081725 587944947 /nfs/dbraw/zinc/94/49/47/587944947.db2.gz XNQRCOKPFGPEIV-SNVBAGLBSA-N 2 0 238.331 1.618 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000843046444 588075666 /nfs/dbraw/zinc/07/56/66/588075666.db2.gz WFIXMXGFNUPYPJ-UHFFFAOYSA-N 2 0 234.343 1.884 20 10 BDCDRP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843057262 588077452 /nfs/dbraw/zinc/07/74/52/588077452.db2.gz HQPKZQKXOPMRLL-RYUDHWBXSA-N 2 0 234.343 1.870 20 10 BDCDRP CC(C)([NH3+])C[NH2+]CCc1ccc(N)cc1 ZINC000843125507 588083663 /nfs/dbraw/zinc/08/36/63/588083663.db2.gz ATTSIKYNSRBFHT-UHFFFAOYSA-N 2 0 207.321 1.138 20 10 BDCDRP C[C@H]([NH3+])CN(C)Cc1cccc(Cl)c1[O-] ZINC000863651324 589307012 /nfs/dbraw/zinc/30/70/12/589307012.db2.gz GMVTWGXHUMMTLW-QMMMGPOBSA-N 2 0 228.723 1.825 20 10 BDCDRP Cc1ccc(C[NH2+][C@@H]2CCCN(C)C2)c(O)c1 ZINC000876961572 590261391 /nfs/dbraw/zinc/26/13/91/590261391.db2.gz INPGMPXLPVRDMC-CYBMUJFWSA-N 2 0 234.343 1.884 20 10 BDCDRP Cc1cccc(O)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000877483071 590337809 /nfs/dbraw/zinc/33/78/09/590337809.db2.gz JHXZVOGKTXBESV-BETUJISGSA-N 2 0 246.354 1.694 20 10 BDCDRP CN(C)c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000128908919 591176297 /nfs/dbraw/zinc/17/62/97/591176297.db2.gz JJQYXJWIRIKJQF-CQSZACIVSA-N 2 0 247.386 1.984 20 10 BDCDRP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000132024168 591684037 /nfs/dbraw/zinc/68/40/37/591684037.db2.gz UEIYFHYEABVRON-AWEZNQCLSA-N 2 0 247.386 1.842 20 10 BDCDRP c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000258945159 635227426 /nfs/dbraw/zinc/22/74/26/635227426.db2.gz IDZKWGJNTAEAEJ-CQSZACIVSA-N 2 0 246.354 1.853 20 10 BDCDRP CC(C)([NH3+])CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000258995928 635230559 /nfs/dbraw/zinc/23/05/59/635230559.db2.gz WIWLESMIQVOMRJ-UHFFFAOYSA-N 2 0 234.343 1.839 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1C ZINC000906507782 638179560 /nfs/dbraw/zinc/17/95/60/638179560.db2.gz BYUJQBCWVIBMPJ-HAQNSBGRSA-N 2 0 220.316 1.588 20 10 BDCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527754 640402021 /nfs/dbraw/zinc/40/20/21/640402021.db2.gz MBRGPNPEIUXUBT-CQSZACIVSA-N 2 0 247.386 1.923 20 10 BDCDRP [NH3+]CCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000070183418 642990689 /nfs/dbraw/zinc/99/06/89/642990689.db2.gz BDAYFKBEOUWHSL-UHFFFAOYSA-N 2 0 234.343 1.953 20 10 BDCDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000070798650 643070628 /nfs/dbraw/zinc/07/06/28/643070628.db2.gz KONNOAONTYZBHQ-NSHDSACASA-N 2 0 220.316 1.434 20 10 BDCDRP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000050245125 643657731 /nfs/dbraw/zinc/65/77/31/643657731.db2.gz SQZWEWHZIIVYDR-VIFPVBQESA-N 2 0 240.734 1.826 20 10 BDCDRP C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000086884215 644473381 /nfs/dbraw/zinc/47/33/81/644473381.db2.gz PNNFQMRBBZTXKA-PWSUYJOCSA-N 2 0 220.316 1.561 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000925786862 646482692 /nfs/dbraw/zinc/48/26/92/646482692.db2.gz WGUKNHRUZVHFKS-KGYLQXTDSA-N 2 0 246.354 1.825 20 10 BDCDRP Oc1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000382586378 710972607 /nfs/dbraw/zinc/97/26/07/710972607.db2.gz UECVKKKKORRLAS-UHFFFAOYSA-N 2 0 220.316 1.624 20 10 BDCDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000228406645 711834684 /nfs/dbraw/zinc/83/46/84/711834684.db2.gz RPWJMAPCRFJOJS-WCQYABFASA-N 2 0 234.343 1.999 20 10 BDCDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000228406629 711834692 /nfs/dbraw/zinc/83/46/92/711834692.db2.gz RPWJMAPCRFJOJS-AAEUAGOBSA-N 2 0 234.343 1.999 20 10 BDCDRP Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000708885218 712202513 /nfs/dbraw/zinc/20/25/13/712202513.db2.gz WSDXCFFCTGXXNY-WCQYABFASA-N 2 0 234.343 1.727 20 10 BDCDRP [NH3+][C@H]1CCN(c2ccc(C3([NH3+])CC3)cc2)C1 ZINC001164281705 965826373 /nfs/dbraw/zinc/82/63/73/965826373.db2.gz KYMSOGDORCNUEB-NSHDSACASA-N 2 0 217.316 1.172 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC001327415262 972570686 /nfs/dbraw/zinc/57/06/86/972570686.db2.gz JJINVHIBPHQJRX-JTQLQIEISA-N 2 0 238.331 1.346 20 10 BDCDRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001334823399 976719279 /nfs/dbraw/zinc/71/92/79/976719279.db2.gz OYAWGCPRGFBJEW-HDJSIYSDSA-N 2 0 245.370 1.866 20 10 BDCDRP Nc1ccc(C[NH2+]CCn2ccnc2)cc1 ZINC001336287251 977618380 /nfs/dbraw/zinc/61/83/80/977618380.db2.gz ZIYTVGVUCXOPOS-UHFFFAOYSA-N 2 0 216.288 1.255 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001336287052 977618643 /nfs/dbraw/zinc/61/86/43/977618643.db2.gz WHFJEMSSIGDEKV-CQSZACIVSA-N 2 0 231.343 1.454 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001336287050 977619340 /nfs/dbraw/zinc/61/93/40/977619340.db2.gz WHFJEMSSIGDEKV-AWEZNQCLSA-N 2 0 231.343 1.454 20 10 BDCDRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992904 979279564 /nfs/dbraw/zinc/27/95/64/979279564.db2.gz SESDVYCUEGARAY-WFASDCNBSA-N 2 0 246.354 1.932 20 10 BDCDRP C[N@H+](CCCC[NH3+])Cc1ccccc1O ZINC001236043221 979337569 /nfs/dbraw/zinc/33/75/69/979337569.db2.gz VVGRHPMQRLRWHP-UHFFFAOYSA-N 2 0 208.305 1.563 20 10 BDCDRP c1cc(N2CC[NH2+]CC2)ccc1C1=CCC[NH2+]C1 ZINC001240663673 981573544 /nfs/dbraw/zinc/57/35/44/981573544.db2.gz BLLIIEKRXADSNE-UHFFFAOYSA-N 2 0 243.354 1.473 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325268093 989139005 /nfs/dbraw/zinc/13/90/05/989139005.db2.gz PRWFSGLAHHWGNT-UHFFFAOYSA-N 2 0 247.386 1.986 20 10 BDCDRP Nc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC001120269392 989624187 /nfs/dbraw/zinc/62/41/87/989624187.db2.gz RWLZVPVEYMEALP-CYBMUJFWSA-N 2 0 231.343 1.501 20 10 BDCDRP Nc1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC001334775342 994632206 /nfs/dbraw/zinc/63/22/06/994632206.db2.gz WWXMJJPGXLMHMO-UHFFFAOYSA-N 2 0 217.316 1.110 20 10 BDCDRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000044527858 385308926 /nfs/dbraw/zinc/30/89/26/385308926.db2.gz XZMNGNPNTAKLTM-NSHDSACASA-N 2 0 220.316 1.563 20 10 BDCDRP Nc1ccc(CC[NH2+]C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000853245989 588728446 /nfs/dbraw/zinc/72/84/46/588728446.db2.gz FSZUGBMKQXACRR-JSGCOSHPSA-N 2 0 231.343 1.010 20 10 BDCDRP Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)c(O)c1 ZINC000896554512 583812061 /nfs/dbraw/zinc/81/20/61/583812061.db2.gz ULQUBPYUMWHJHT-YPMHNXCESA-N 2 0 234.343 1.883 20 10 BDCDRP Oc1ccc(F)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841035829 584042428 /nfs/dbraw/zinc/04/24/28/584042428.db2.gz IWWQVKOYQYMGNU-SNVBAGLBSA-N 2 0 238.306 1.621 20 10 BDCDRP C[C@@H]([NH3+])[C@H](C)NCc1cc(F)ccc1O ZINC000841076375 584743002 /nfs/dbraw/zinc/74/30/02/584743002.db2.gz GPROOTBQXCIIBI-SFYZADRCSA-N 2 0 212.268 1.357 20 10 BDCDRP Cc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000904405398 584878439 /nfs/dbraw/zinc/87/84/39/584878439.db2.gz HBWLQDNSLUPFDQ-GFCCVEGCSA-N 2 0 234.343 1.871 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C[NH3+] ZINC000904411544 584879913 /nfs/dbraw/zinc/87/99/13/584879913.db2.gz MELHORFVXSZWOO-NWDGAFQWSA-N 2 0 234.343 1.809 20 10 BDCDRP Cc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843056955 585335487 /nfs/dbraw/zinc/33/54/87/585335487.db2.gz DEEFFOSCOIUEPO-RYUDHWBXSA-N 2 0 234.343 1.870 20 10 BDCDRP COc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000843129855 586417687 /nfs/dbraw/zinc/41/76/87/586417687.db2.gz SDSCVKFENJCSOT-ZJUUUORDSA-N 2 0 238.331 1.616 20 10 BDCDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817894122 586833559 /nfs/dbraw/zinc/83/35/59/586833559.db2.gz BTJNRLBMZOIQPS-NEPJUHHUSA-N 2 0 235.375 1.968 20 10 BDCDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902093 586836253 /nfs/dbraw/zinc/83/62/53/586836253.db2.gz HZLRPDIFJKBNBF-GHMZBOCLSA-N 2 0 234.343 1.837 20 10 BDCDRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817952342 586847643 /nfs/dbraw/zinc/84/76/43/586847643.db2.gz JWCOFQFGKHQQRH-ONGXEEELSA-N 2 0 220.316 1.706 20 10 BDCDRP COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000817954319 586848586 /nfs/dbraw/zinc/84/85/86/586848586.db2.gz YMQKPYXCJNPNRY-UWVGGRQHSA-N 2 0 238.331 1.789 20 10 BDCDRP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Cl)ccc1O ZINC000817966053 586849859 /nfs/dbraw/zinc/84/98/59/586849859.db2.gz ZVIGAVMDUOPHNA-QMMMGPOBSA-N 2 0 240.734 1.916 20 10 BDCDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817958214 586850576 /nfs/dbraw/zinc/85/05/76/586850576.db2.gz SZESUKHNLPPXMO-WFASDCNBSA-N 2 0 247.386 1.789 20 10 BDCDRP Cc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)c(O)c1C ZINC000817964511 586853817 /nfs/dbraw/zinc/85/38/17/586853817.db2.gz BBKUOELWTJIPKA-LLVKDONJSA-N 2 0 234.343 1.879 20 10 BDCDRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1O ZINC000817979266 586862106 /nfs/dbraw/zinc/86/21/06/586862106.db2.gz JFSCAKVVELTULP-VHSXEESVSA-N 2 0 208.305 1.780 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000841047766 587939178 /nfs/dbraw/zinc/93/91/78/587939178.db2.gz CMCXAJHRCDXWQJ-NSHDSACASA-N 2 0 235.375 1.745 20 10 BDCDRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1C ZINC000841051444 587939641 /nfs/dbraw/zinc/93/96/41/587939641.db2.gz QALXRUOVMGCWMD-LLVKDONJSA-N 2 0 222.332 1.831 20 10 BDCDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841063619 587941059 /nfs/dbraw/zinc/94/10/59/587941059.db2.gz MBHSFNWRVSSZFW-FZMZJTMJSA-N 2 0 246.354 1.709 20 10 BDCDRP CN(C)c1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000841062965 587942020 /nfs/dbraw/zinc/94/20/20/587942020.db2.gz DXAAURDVIJIHAL-UHFFFAOYSA-N 2 0 247.386 1.984 20 10 BDCDRP Cc1cc(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000841077161 587944661 /nfs/dbraw/zinc/94/46/61/587944661.db2.gz BRPXDXPHNIHWQM-IMRBUKKESA-N 2 0 232.327 1.316 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000841085171 587945468 /nfs/dbraw/zinc/94/54/68/587945468.db2.gz WBTPIRFYPQIGLQ-DGCLKSJQSA-N 2 0 234.343 1.918 20 10 BDCDRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000843053506 588076571 /nfs/dbraw/zinc/07/65/71/588076571.db2.gz ZKXWJCAHBPXWNJ-GFCCVEGCSA-N 2 0 234.343 1.742 20 10 BDCDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000843127423 588081937 /nfs/dbraw/zinc/08/19/37/588081937.db2.gz DGHDTVQYNBBWRQ-IUCAKERBSA-N 2 0 226.295 1.747 20 10 BDCDRP C[C@@]1(C[NH2+]CCc2ccc(N)cc2)CC[NH2+]C1 ZINC000843126749 588084453 /nfs/dbraw/zinc/08/44/53/588084453.db2.gz WEILOGRGZQUCFD-AWEZNQCLSA-N 2 0 233.359 1.401 20 10 BDCDRP C[C@@H]([NH3+])CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350375 588102288 /nfs/dbraw/zinc/10/22/88/588102288.db2.gz NXWJBWZIMZXQBD-SNVBAGLBSA-N 2 0 219.332 1.245 20 10 BDCDRP Cc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1O ZINC000844903490 588218871 /nfs/dbraw/zinc/21/88/71/588218871.db2.gz DGZGRWXFSHNJQR-UHFFFAOYSA-N 2 0 234.343 1.919 20 10 BDCDRP CC[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000122246210 589572456 /nfs/dbraw/zinc/57/24/56/589572456.db2.gz WXJLLGPQUSDMTL-YPMHNXCESA-N 2 0 234.343 1.951 20 10 BDCDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1O ZINC000873252852 590008900 /nfs/dbraw/zinc/00/89/00/590008900.db2.gz WNBKXIXRKZEJIZ-GARJFASQSA-N 2 0 220.316 1.780 20 10 BDCDRP C[NH2+]CCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000124753179 590081042 /nfs/dbraw/zinc/08/10/42/590081042.db2.gz REPWSVLDNGVMKH-UHFFFAOYSA-N 2 0 238.331 1.442 20 10 BDCDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1O ZINC000309307491 631996713 /nfs/dbraw/zinc/99/67/13/631996713.db2.gz DNRSQSJKBUVTDJ-NSHDSACASA-N 2 0 222.332 1.999 20 10 BDCDRP Cc1cccc(CN2CC[C@@H]([NH3+])C2)c1O ZINC000309625052 632587219 /nfs/dbraw/zinc/58/72/19/632587219.db2.gz PYEFGQXGGGSROE-LLVKDONJSA-N 2 0 206.289 1.234 20 10 BDCDRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000162936420 633043361 /nfs/dbraw/zinc/04/33/61/633043361.db2.gz YDQXZJVSTSZHGZ-NWDGAFQWSA-N 2 0 220.316 1.752 20 10 BDCDRP C[C@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258774055 635195562 /nfs/dbraw/zinc/19/55/62/635195562.db2.gz OIDADNNUZDDCTB-LLVKDONJSA-N 2 0 234.343 1.696 20 10 BDCDRP CCOc1ccc(C[NH2+]C2CC([NH3+])C2)c(O)c1 ZINC000906509268 638180968 /nfs/dbraw/zinc/18/09/68/638180968.db2.gz DMZXLCPSEYSNEM-UHFFFAOYSA-N 2 0 236.315 1.370 20 10 BDCDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000070171414 642985143 /nfs/dbraw/zinc/98/51/43/642985143.db2.gz GAFVFCMGSBPYQS-NEPJUHHUSA-N 2 0 234.343 1.951 20 10 BDCDRP C[NH2+]CCC[NH2+]Cc1cccc(C)c1O ZINC000083345527 643436476 /nfs/dbraw/zinc/43/64/76/643436476.db2.gz FAWBICVBWDHDFW-UHFFFAOYSA-N 2 0 208.305 1.400 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1[NH3+] ZINC000086884217 644473350 /nfs/dbraw/zinc/47/33/50/644473350.db2.gz PNNFQMRBBZTXKA-JQWIXIFHSA-N 2 0 220.316 1.561 20 10 BDCDRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000818431366 644996624 /nfs/dbraw/zinc/99/66/24/644996624.db2.gz JVQQCIAEKOXKQR-VXGBXAGGSA-N 2 0 238.306 1.891 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925694725 646419679 /nfs/dbraw/zinc/41/96/79/646419679.db2.gz SLGPPVGATGFYNY-ZIAGYGMSSA-N 2 0 245.370 1.671 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000381309954 710620312 /nfs/dbraw/zinc/62/03/12/710620312.db2.gz CSJMYALGJNEVFZ-GXTWGEPZSA-N 2 0 246.354 1.884 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000381309974 710620585 /nfs/dbraw/zinc/62/05/85/710620585.db2.gz CSJMYALGJNEVFZ-TZMCWYRMSA-N 2 0 246.354 1.884 20 10 BDCDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1O ZINC000380006974 712669740 /nfs/dbraw/zinc/66/97/40/712669740.db2.gz LGRGVGAUFMJYMR-SNVBAGLBSA-N 2 0 208.305 1.609 20 10 BDCDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1O ZINC000380006970 712669762 /nfs/dbraw/zinc/66/97/62/712669762.db2.gz LGRGVGAUFMJYMR-JTQLQIEISA-N 2 0 208.305 1.609 20 10 BDCDRP COc1cc(C)c(CN(C)C[C@H](C)[NH3+])c(O)c1 ZINC001236908602 979793227 /nfs/dbraw/zinc/79/32/27/979793227.db2.gz LWDACXVWIFLYLC-JTQLQIEISA-N 2 0 238.331 1.488 20 10 BDCDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)CC[NH2+]1 ZINC001246168550 972203399 /nfs/dbraw/zinc/20/33/99/972203399.db2.gz FKPTUKBFTVHBBK-ZWNOBZJWSA-N 2 0 219.332 1.499 20 10 BDCDRP CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203563362 966688441 /nfs/dbraw/zinc/68/84/41/966688441.db2.gz ZRQMQJNOMCMXIS-KBPBESRZSA-N 2 0 246.354 1.776 20 10 BDCDRP Cc1cc(C)c(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205191066 967416614 /nfs/dbraw/zinc/41/66/14/967416614.db2.gz VBRHWNYBTLCZCG-DGCLKSJQSA-N 2 0 234.343 1.931 20 10 BDCDRP C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CC[NH2+]1 ZINC001246870600 973250223 /nfs/dbraw/zinc/25/02/23/973250223.db2.gz VXTAIAIMPCCBJC-YPMHNXCESA-N 2 0 246.354 1.891 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1c(O)cccc1Cl ZINC001331420370 974712519 /nfs/dbraw/zinc/71/25/19/974712519.db2.gz WWENSANGUXGZBQ-VIFPVBQESA-N 2 0 242.750 1.991 20 10 BDCDRP Nc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236321495 979533906 /nfs/dbraw/zinc/53/39/06/979533906.db2.gz UJCDTJCPTAITAS-OKILXGFUSA-N 2 0 245.370 1.700 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC001352791646 982580321 /nfs/dbraw/zinc/58/03/21/982580321.db2.gz YVVGHIIGAXBEGX-GFCCVEGCSA-N 2 0 233.359 1.830 20 10 BDCDRP C[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000082713147 983156525 /nfs/dbraw/zinc/15/65/25/983156525.db2.gz KCFSBCXRBFZRSQ-UHFFFAOYSA-N 2 0 233.359 1.500 20 10 BDCDRP COc1cc(C)c(C[NH2+]C/C=C\C[NH3+])c(O)c1 ZINC001579144346 985811383 /nfs/dbraw/zinc/81/13/83/985811383.db2.gz APLLDYVUOQJJGQ-ARJAWSKDSA-N 2 0 236.315 1.314 20 10 BDCDRP Nc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246466132 987825075 /nfs/dbraw/zinc/82/50/75/987825075.db2.gz MMDPNWGZDCPXPY-UHFFFAOYSA-N 2 0 219.332 1.153 20 10 BDCDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753480 994626045 /nfs/dbraw/zinc/62/60/45/994626045.db2.gz FFHYEKMCJBSBQH-JQWIXIFHSA-N 2 0 219.332 1.438 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C[C@H]2CCCN2C)c1 ZINC000113328537 383977339 /nfs/dbraw/zinc/97/73/39/383977339.db2.gz AKXSCKCBUKFUPR-CYBMUJFWSA-N 2 0 234.343 1.884 20 10 BDCDRP Cc1ccc(O)c(CN(C)[C@@H](C)C[NH3+])c1 ZINC000274697087 386316133 /nfs/dbraw/zinc/31/61/33/386316133.db2.gz WXJOKTQEPLXYPK-JTQLQIEISA-N 2 0 208.305 1.480 20 10 BDCDRP C[NH+](C)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296126482 388418136 /nfs/dbraw/zinc/41/81/36/388418136.db2.gz VPBFAMLFJOBPJI-GFCCVEGCSA-N 2 0 234.343 1.921 20 10 BDCDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000071409545 173371018 /nfs/dbraw/zinc/37/10/18/173371018.db2.gz VVPNPEXDLMUKJW-LBPRGKRZSA-N 2 0 234.343 1.742 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccccc1O ZINC000903431265 584761813 /nfs/dbraw/zinc/76/18/13/584761813.db2.gz PTWOJACHHKSCQY-YPMHNXCESA-N 2 0 234.343 1.680 20 10 BDCDRP Nc1ccc(CC[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904352794 584869868 /nfs/dbraw/zinc/86/98/68/584869868.db2.gz ASWZZNJAQPXSNY-UHFFFAOYSA-N 2 0 219.332 1.138 20 10 BDCDRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1O ZINC000817977878 584994282 /nfs/dbraw/zinc/99/42/82/584994282.db2.gz QZJXHFUCAAMQAY-GOONRYMUSA-N 2 0 218.300 1.261 20 10 BDCDRP Oc1cccc2c1[C@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000817941786 586845266 /nfs/dbraw/zinc/84/52/66/586845266.db2.gz RRWVHZBFXUGTPC-CYBMUJFWSA-N 2 0 246.354 1.969 20 10 BDCDRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(F)ccc1O ZINC000817952776 586849339 /nfs/dbraw/zinc/84/93/39/586849339.db2.gz MKKIPYFWHAJXRO-DTWKUNHWSA-N 2 0 226.295 1.919 20 10 BDCDRP C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[N@@H+]1C ZINC000817956274 586849937 /nfs/dbraw/zinc/84/99/37/586849937.db2.gz VNRNFJXPDVJFOF-SWLSCSKDSA-N 2 0 247.386 1.884 20 10 BDCDRP Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817958113 586850356 /nfs/dbraw/zinc/85/03/56/586850356.db2.gz SEEMBMQCGVCCCZ-TZMCWYRMSA-N 2 0 233.359 1.528 20 10 BDCDRP Cc1cc(C)c([C@@H](C)[NH2+]CC2C[NH2+]C2)c(O)c1 ZINC000817964926 586854105 /nfs/dbraw/zinc/85/41/05/586854105.db2.gz JIYVYXMXAIFJOG-LLVKDONJSA-N 2 0 234.343 1.879 20 10 BDCDRP [NH3+][C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000817964765 586854372 /nfs/dbraw/zinc/85/43/72/586854372.db2.gz HJHGBZGWEIIBHN-NEPJUHHUSA-N 2 0 232.327 1.706 20 10 BDCDRP Oc1cccc2c1[C@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000817968139 586856265 /nfs/dbraw/zinc/85/62/65/586856265.db2.gz PWYYSESCRAPVMM-CYBMUJFWSA-N 2 0 244.338 1.889 20 10 BDCDRP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C)cc1O ZINC000817977231 586862226 /nfs/dbraw/zinc/86/22/26/586862226.db2.gz FDZSPMGZRZYSRG-SFDCQRBFSA-N 2 0 246.354 1.959 20 10 BDCDRP CC[NH2+]CCNCc1cc(Cl)cc(F)c1[O-] ZINC000841037661 587937959 /nfs/dbraw/zinc/93/79/59/587937959.db2.gz RLNWZAUONDMMOX-UHFFFAOYSA-N 2 0 246.713 1.884 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000841064482 587941524 /nfs/dbraw/zinc/94/15/24/587941524.db2.gz RBRFBUOKNYBATM-YPMHNXCESA-N 2 0 234.343 1.788 20 10 BDCDRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1O ZINC000841078941 587944831 /nfs/dbraw/zinc/94/48/31/587944831.db2.gz FEQSJFJGRORZSA-SECBINFHSA-N 2 0 226.295 1.748 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000841078753 587945069 /nfs/dbraw/zinc/94/50/69/587945069.db2.gz KBAJKYSVMOODHJ-CQSZACIVSA-N 2 0 246.354 1.932 20 10 BDCDRP Cc1cc(O)c(C[N@H+](C)CCC[NH3+])cc1C ZINC000843051057 588077102 /nfs/dbraw/zinc/07/71/02/588077102.db2.gz UGLLFHQMSCPSLG-UHFFFAOYSA-N 2 0 222.332 1.790 20 10 BDCDRP C[NH2+]C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000843049562 588077179 /nfs/dbraw/zinc/07/71/79/588077179.db2.gz QJQXXLSTAYOZEV-UHFFFAOYSA-N 2 0 234.343 1.884 20 10 BDCDRP Cc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000843124511 588083246 /nfs/dbraw/zinc/08/32/46/588083246.db2.gz BSHKPWZQJRDQDN-UHFFFAOYSA-N 2 0 220.316 1.622 20 10 BDCDRP C[N@@H+](Cc1ccccc1O)C[C@H]1CC[NH2+]C1 ZINC000843357327 588104044 /nfs/dbraw/zinc/10/40/44/588104044.db2.gz INUPKRWIXVXEFO-NSHDSACASA-N 2 0 220.316 1.434 20 10 BDCDRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1O ZINC000863543598 589297191 /nfs/dbraw/zinc/29/71/91/589297191.db2.gz RYFOBEIRKWXDQX-NSHDSACASA-N 2 0 238.331 1.279 20 10 BDCDRP CCOc1ccc(O)c(CN(CC)CC[NH3+])c1 ZINC000863644928 589306751 /nfs/dbraw/zinc/30/67/51/589306751.db2.gz MHFMUWUHPJORLO-UHFFFAOYSA-N 2 0 238.331 1.572 20 10 BDCDRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1O ZINC000873258737 590012970 /nfs/dbraw/zinc/01/29/70/590012970.db2.gz VSDALQXVAIZWDZ-FXPVBKGRSA-N 2 0 238.306 1.919 20 10 BDCDRP [NH3+]CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000308951425 631754399 /nfs/dbraw/zinc/75/43/99/631754399.db2.gz VDVMAWPCXWUHSB-SNVBAGLBSA-N 2 0 206.289 1.318 20 10 BDCDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1O ZINC000309423763 633054686 /nfs/dbraw/zinc/05/46/86/633054686.db2.gz WXLMLPULJYDTMC-CMPLNLGQSA-N 2 0 220.316 1.480 20 10 BDCDRP CN(C)c1ccc(CN(C)CC[NH3+])cc1 ZINC000054416867 636635081 /nfs/dbraw/zinc/63/50/81/636635081.db2.gz SBHSTCKRDKDAQJ-UHFFFAOYSA-N 2 0 207.321 1.143 20 10 BDCDRP [NH3+]C1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000906510759 638183553 /nfs/dbraw/zinc/18/35/53/638183553.db2.gz VPNCVFZGNCHZHI-UHFFFAOYSA-N 2 0 210.252 1.111 20 10 BDCDRP COc1cccc(CN2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000383435509 710981672 /nfs/dbraw/zinc/98/16/72/710981672.db2.gz FGTLPJXATNLFGM-ONGXEEELSA-N 2 0 236.315 1.322 20 10 BDCDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000386108818 711022535 /nfs/dbraw/zinc/02/25/35/711022535.db2.gz LCDURRBYRSSPMM-WFASDCNBSA-N 2 0 247.386 1.840 20 10 BDCDRP Oc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282271 711932144 /nfs/dbraw/zinc/93/21/44/711932144.db2.gz DETUCKWDDYMODP-RYUDHWBXSA-N 2 0 218.300 1.043 20 10 BDCDRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C)c(C)cc1O ZINC001345100667 980548464 /nfs/dbraw/zinc/54/84/64/980548464.db2.gz URPQJDUAEYIYCE-JTQLQIEISA-N 2 0 236.359 1.954 20 10 BDCDRP Nc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205117156 967364480 /nfs/dbraw/zinc/36/44/80/967364480.db2.gz MCCMFHZVORCAJC-LBPRGKRZSA-N 2 0 219.332 1.582 20 10 BDCDRP C[C@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001205150375 967396636 /nfs/dbraw/zinc/39/66/36/967396636.db2.gz AMHMQJAMZWIEJG-CMPLNLGQSA-N 2 0 219.332 1.295 20 10 BDCDRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(O)ccc1O ZINC001205189550 967416670 /nfs/dbraw/zinc/41/66/70/967416670.db2.gz BFSZVEXJFCWRCR-LDYMZIIASA-N 2 0 222.288 1.019 20 10 BDCDRP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001205289200 967482259 /nfs/dbraw/zinc/48/22/59/967482259.db2.gz UVCMBZMUBBPTLN-AWEZNQCLSA-N 2 0 233.359 1.972 20 10 BDCDRP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001205917516 967882922 /nfs/dbraw/zinc/88/29/22/967882922.db2.gz ZPSVWAHVZXVTRF-AAEUAGOBSA-N 2 0 233.359 1.828 20 10 BDCDRP CN(c1ccc(C2([NH3+])CC2)cc1)C(C)(C)C[NH3+] ZINC001170058776 970107015 /nfs/dbraw/zinc/10/70/15/970107015.db2.gz FUQVUEGSVXWLDW-UHFFFAOYSA-N 2 0 233.359 1.808 20 10 BDCDRP C[N@H+](Cc1ccc(N)cc1)C1CC([NH3+])C1 ZINC001334754198 976623888 /nfs/dbraw/zinc/62/38/88/976623888.db2.gz LTEYCHQMTGMDNF-UHFFFAOYSA-N 2 0 205.305 1.190 20 10 BDCDRP Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001334775135 976643648 /nfs/dbraw/zinc/64/36/48/976643648.db2.gz SSVMIXYFSMVROL-ZFWWWQNUSA-N 2 0 245.370 1.830 20 10 BDCDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001336284929 977614408 /nfs/dbraw/zinc/61/44/08/977614408.db2.gz DXKONDUVQGTBMB-UWVGGRQHSA-N 2 0 207.321 1.484 20 10 BDCDRP C[C@H]([NH2+]Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001337838239 978519476 /nfs/dbraw/zinc/51/94/76/978519476.db2.gz LYCATBGHJRRGHA-NSHDSACASA-N 2 0 233.359 1.747 20 10 BDCDRP Nc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237410095 979886841 /nfs/dbraw/zinc/88/68/41/979886841.db2.gz BJLVEFHMFJTGGD-UKRRQHHQSA-N 2 0 245.370 1.843 20 10 BDCDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)CC[NH2+]1 ZINC001246168548 987532613 /nfs/dbraw/zinc/53/26/13/987532613.db2.gz FKPTUKBFTVHBBK-MFKMUULPSA-N 2 0 219.332 1.499 20 10 BDCDRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[NH2+]1 ZINC001246465645 987826065 /nfs/dbraw/zinc/82/60/65/987826065.db2.gz LBVPCZXWEFLBHM-FZMZJTMJSA-N 2 0 233.359 1.541 20 10 BDCDRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC001325625373 989220955 /nfs/dbraw/zinc/22/09/55/989220955.db2.gz JZNPWNBSMWUIEQ-LLVKDONJSA-N 2 0 234.343 1.709 20 10 BDCDRP Nc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC001120269393 989625184 /nfs/dbraw/zinc/62/51/84/989625184.db2.gz RWLZVPVEYMEALP-ZDUSSCGKSA-N 2 0 231.343 1.501 20 10 BDCDRP Oc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020128980 183301622 /nfs/dbraw/zinc/30/16/22/183301622.db2.gz ZRLWVVADXHBHAZ-UHFFFAOYSA-N 2 0 234.343 1.968 20 10 BDCDRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179574661 385473585 /nfs/dbraw/zinc/47/35/85/385473585.db2.gz RCKDLEDGWWOTDM-GFCCVEGCSA-N 2 0 234.343 1.776 20 10 BDCDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000071142081 173382177 /nfs/dbraw/zinc/38/21/77/173382177.db2.gz FDAVQGSQLYYLQZ-CQSZACIVSA-N 2 0 247.386 1.794 20 10 BDCDRP COc1ccc(O)c(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000841031794 584031144 /nfs/dbraw/zinc/03/11/44/584031144.db2.gz YAFDVUQVXRSIJU-LBPRGKRZSA-N 2 0 238.331 1.474 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000841065043 584127308 /nfs/dbraw/zinc/12/73/08/584127308.db2.gz LLEYUCWYANGYAM-UHFFFAOYSA-N 2 0 234.343 1.932 20 10 BDCDRP [NH3+]C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000902406532 584573836 /nfs/dbraw/zinc/57/38/36/584573836.db2.gz NKMBQZOPWHPIGC-SNVBAGLBSA-N 2 0 218.300 1.460 20 10 BDCDRP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccccc1O ZINC000902408626 584575377 /nfs/dbraw/zinc/57/53/77/584575377.db2.gz ZRSDXVQBWMIQRV-NSHDSACASA-N 2 0 220.316 1.924 20 10 BDCDRP C[C@H]([NH3+])[C@H](C)NCc1cc(F)ccc1O ZINC000841076376 584742846 /nfs/dbraw/zinc/74/28/46/584742846.db2.gz GPROOTBQXCIIBI-YUMQZZPRSA-N 2 0 212.268 1.357 20 10 BDCDRP C[C@@H]1C[NH2+]C[C@H]1CN(C)c1ccc(N)cc1 ZINC000903474710 584776729 /nfs/dbraw/zinc/77/67/29/584776729.db2.gz RCJPFHGEKQHAFL-MNOVXSKESA-N 2 0 219.332 1.561 20 10 BDCDRP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903964600 584834060 /nfs/dbraw/zinc/83/40/60/584834060.db2.gz MMBWTTHORVBNTG-OCCSQVGLSA-N 2 0 248.370 1.949 20 10 BDCDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000817895026 586834699 /nfs/dbraw/zinc/83/46/99/586834699.db2.gz SVXNKSFUAVEUSG-GFCCVEGCSA-N 2 0 247.386 1.759 20 10 BDCDRP COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000817954320 586848675 /nfs/dbraw/zinc/84/86/75/586848675.db2.gz YMQKPYXCJNPNRY-VHSXEESVSA-N 2 0 238.331 1.789 20 10 BDCDRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817959134 586851477 /nfs/dbraw/zinc/85/14/77/586851477.db2.gz PODWISYSHDBUES-NEPJUHHUSA-N 2 0 234.343 1.952 20 10 BDCDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccccc1O ZINC000817961785 586853430 /nfs/dbraw/zinc/85/34/30/586853430.db2.gz CHXFIXBAVWZMKV-VHSXEESVSA-N 2 0 208.305 1.638 20 10 BDCDRP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1O ZINC000817974003 586860523 /nfs/dbraw/zinc/86/05/23/586860523.db2.gz XIPRRAVLJKVWCY-KOLCDFICSA-N 2 0 208.305 1.780 20 10 BDCDRP C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](C)[NH3+] ZINC000817978603 586861993 /nfs/dbraw/zinc/86/19/93/586861993.db2.gz CEHFCWGPQGTLNP-IQJOONFLSA-N 2 0 220.316 1.705 20 10 BDCDRP C[C@@H]1C[C@H](C[NH2+]CCc2ccc(N)cc2)CC[NH2+]1 ZINC000841037599 587937995 /nfs/dbraw/zinc/93/79/95/587937995.db2.gz AZTURAPXUIGATL-TZMCWYRMSA-N 2 0 247.386 1.789 20 10 BDCDRP Cc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1O ZINC000841048030 587939069 /nfs/dbraw/zinc/93/90/69/587939069.db2.gz FVYPSPZBXVSEET-SECBINFHSA-N 2 0 208.305 1.385 20 10 BDCDRP Oc1ccc(F)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058835 587940554 /nfs/dbraw/zinc/94/05/54/587940554.db2.gz VZASWFWOYSACMV-GFCCVEGCSA-N 2 0 238.306 1.763 20 10 BDCDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000841064839 587941408 /nfs/dbraw/zinc/94/14/08/587941408.db2.gz VBXQWEFJYCLMGO-JOYOIKCWSA-N 2 0 238.306 1.619 20 10 BDCDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841063620 587941482 /nfs/dbraw/zinc/94/14/82/587941482.db2.gz MBHSFNWRVSSZFW-RISCZKNCSA-N 2 0 246.354 1.709 20 10 BDCDRP Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841061559 587941578 /nfs/dbraw/zinc/94/15/78/587941578.db2.gz KCIHKRWJMGXLTK-WCQYABFASA-N 2 0 234.343 1.931 20 10 BDCDRP CCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)c(O)c1 ZINC000841070583 587943211 /nfs/dbraw/zinc/94/32/11/587943211.db2.gz REIMDTZNUAEDFC-LLVKDONJSA-N 2 0 238.331 1.618 20 10 BDCDRP Oc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079754 587944616 /nfs/dbraw/zinc/94/46/16/587944616.db2.gz NGKJRXXRQGLBMU-CYBMUJFWSA-N 2 0 232.327 1.624 20 10 BDCDRP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1O ZINC000841080707 587945099 /nfs/dbraw/zinc/94/50/99/587945099.db2.gz QAPHWWKOFKXCRY-BDAKNGLRSA-N 2 0 224.304 1.226 20 10 BDCDRP [NH3+]CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000843058412 588077665 /nfs/dbraw/zinc/07/76/65/588077665.db2.gz RRSXWQXOHNPRPA-UHFFFAOYSA-N 2 0 219.332 1.247 20 10 BDCDRP Cc1cc(O)c(C[N@@H+](C)C2CC([NH3+])C2)cc1C ZINC000843125353 588083385 /nfs/dbraw/zinc/08/33/85/588083385.db2.gz SZWYMSIZXCROCH-UHFFFAOYSA-N 2 0 234.343 1.931 20 10 BDCDRP Oc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123170 588083714 /nfs/dbraw/zinc/08/37/14/588083714.db2.gz IMLPBBABCVNXDY-OAHLLOKOSA-N 2 0 246.354 1.968 20 10 BDCDRP Cc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000843128156 588084892 /nfs/dbraw/zinc/08/48/92/588084892.db2.gz IIJBBYWEMVXPEG-GHMZBOCLSA-N 2 0 222.332 1.916 20 10 BDCDRP Cc1ccc(O)c(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000844901620 588219063 /nfs/dbraw/zinc/21/90/63/588219063.db2.gz ITFMGVJLWOQGKM-UHFFFAOYSA-N 2 0 234.343 1.919 20 10 BDCDRP Cc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000215985044 592000953 /nfs/dbraw/zinc/00/09/53/592000953.db2.gz XTAJWQDQEKRHGU-NWDGAFQWSA-N 2 0 234.343 1.870 20 10 BDCDRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000138446178 592275745 /nfs/dbraw/zinc/27/57/45/592275745.db2.gz QYCOIDDSGOZUPC-VXGBXAGGSA-N 2 0 220.316 1.752 20 10 BDCDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000230125956 641031348 /nfs/dbraw/zinc/03/13/48/641031348.db2.gz QWWVLFDTKNSXHH-KWCYVHTRSA-N 2 0 246.354 1.951 20 10 BDCDRP c1cc(C[NH2+]C2CC[NH2+]CC2)cc2c1OCC2 ZINC000084516337 644426534 /nfs/dbraw/zinc/42/65/34/644426534.db2.gz HHWMNLGQEDHRCH-UHFFFAOYSA-N 2 0 232.327 1.463 20 10 BDCDRP c1cc2c(cc1C[NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000084565845 644428738 /nfs/dbraw/zinc/42/87/38/644428738.db2.gz OGYXATLYXLCSLT-UHFFFAOYSA-N 2 0 246.354 1.853 20 10 BDCDRP Oc1ccccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385374163 711010921 /nfs/dbraw/zinc/01/09/21/711010921.db2.gz LVOVVPMSGUIMBU-PWSUYJOCSA-N 2 0 218.300 1.186 20 10 BDCDRP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723670184 711533338 /nfs/dbraw/zinc/53/33/38/711533338.db2.gz QDTBUDCYPHZLBK-GFCCVEGCSA-N 2 0 234.343 1.871 20 10 BDCDRP