smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCOCC2 ZINC000685953934 538898717 /nfs/dbraw/zinc/89/87/17/538898717.db2.gz JPMRAJZMKVSZMO-VXGBXAGGSA-N 2 0 212.337 1.367 10 0 BDAERP CC[N@@H+]1CC[C@@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955188 538900321 /nfs/dbraw/zinc/90/03/21/538900321.db2.gz VRJQPRHZDHCKMB-WRWGMCAJSA-N 2 0 212.337 1.366 10 0 BDAERP C[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2cccc(F)c2)C1 ZINC000036352051 343979033 /nfs/dbraw/zinc/97/90/33/343979033.db2.gz NTVLHMJXZIPRNF-DGCLKSJQSA-N 2 0 222.307 1.647 10 0 BDAERP Cc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccn1 ZINC000336233720 178040118 /nfs/dbraw/zinc/04/01/18/178040118.db2.gz BYQNSNPLOYUEOY-ZDUSSCGKSA-N 2 0 219.332 1.622 10 0 BDAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCSC1 ZINC000252126588 398185593 /nfs/dbraw/zinc/18/55/93/398185593.db2.gz LMKTYNGITJBRKS-UTLUCORTSA-N 2 0 200.351 1.161 10 0 BDAERP C[NH+](C)[C@H]1CCC[C@H](NC2CC[NH2+]CC2)C1 ZINC000335517357 398290242 /nfs/dbraw/zinc/29/02/42/398290242.db2.gz JSVMOFIFOKYWDK-STQMWFEESA-N 2 0 225.380 1.201 10 0 BDAERP CC[N@@H+]1CCC[C@]2(CC1)[NH2+][C@@H](C)CS2 ZINC000226585186 342842410 /nfs/dbraw/zinc/84/24/10/342842410.db2.gz TTYJMZSNWLOZHQ-QWRGUYRKSA-N 2 0 214.378 1.913 10 0 BDAERP COC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000159220665 349756855 /nfs/dbraw/zinc/75/68/55/349756855.db2.gz SEQKNTNBLZLMAD-NXEZZACHSA-N 2 0 200.326 1.223 10 0 BDAERP C[C@H]1SCCC[C@]1(C[NH3+])N1CCC1 ZINC000306670202 362031995 /nfs/dbraw/zinc/03/19/95/362031995.db2.gz XKRGHBOUGOOMGJ-NXEZZACHSA-N 2 0 200.351 1.305 10 0 BDAERP CC(C)[N@H+](CCO)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042479664 187265820 /nfs/dbraw/zinc/26/58/20/187265820.db2.gz FAHYOWQXVPRFQM-UHFFFAOYSA-N 2 0 235.331 1.173 10 0 BDAERP C=Cc1ccc(C[NH2+]CCCNCCC[NH3+])cc1 ZINC000167734948 343605434 /nfs/dbraw/zinc/60/54/34/343605434.db2.gz OTNNSZGRZKFGSL-UHFFFAOYSA-N 2 0 247.386 1.748 10 0 BDAERP C[N@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000043501204 343780829 /nfs/dbraw/zinc/78/08/29/343780829.db2.gz RNWKFQHQUFJJKZ-JTQLQIEISA-N 2 0 200.351 1.176 10 0 BDAERP CCOC[C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000313284370 343791471 /nfs/dbraw/zinc/79/14/71/343791471.db2.gz FGCHTTMKOQIXHV-CYBMUJFWSA-N 2 0 226.364 1.629 10 0 BDAERP CCCC1(C[N@@H+]2CCOC[C@H]2C)CC[NH2+]CC1 ZINC000062850682 187274052 /nfs/dbraw/zinc/27/40/52/187274052.db2.gz YOGIWDKKZYHHPN-CYBMUJFWSA-N 2 0 240.391 1.877 10 0 BDAERP CCOCC1CC[NH+](CCC[NH3+])CC1 ZINC000409424024 343816903 /nfs/dbraw/zinc/81/69/03/343816903.db2.gz AZWUEBAMOWTKPW-UHFFFAOYSA-N 2 0 200.326 1.084 10 0 BDAERP C1CC1[N@H+](C1CC[NH2+]CC1)C1CCOCC1 ZINC000409425271 343818717 /nfs/dbraw/zinc/81/87/17/343818717.db2.gz AEORMRATZPNTCQ-UHFFFAOYSA-N 2 0 224.348 1.382 10 0 BDAERP CC(C)[N@@H+]1CCO[C@@H](C2CC[NH2+]CC2)C1 ZINC000409431854 343823051 /nfs/dbraw/zinc/82/30/51/343823051.db2.gz LMBHRXWIOLQLCK-GFCCVEGCSA-N 2 0 212.337 1.095 10 0 BDAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccc(F)cc2)C1 ZINC000022130089 343908028 /nfs/dbraw/zinc/90/80/28/343908028.db2.gz MNZRUJJUKNTAGB-AAEUAGOBSA-N 2 0 222.307 1.647 10 0 BDAERP C[C@@]1(CN2CCSCC2)CCCC[NH2+]1 ZINC000127331937 344140993 /nfs/dbraw/zinc/14/09/93/344140993.db2.gz OJQJKUYXDZPNGJ-NSHDSACASA-N 2 0 214.378 1.567 10 0 BDAERP F[C@H](C1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000158149789 344554892 /nfs/dbraw/zinc/55/48/92/344554892.db2.gz LHFRFDOWCJDBJS-WDEREUQCSA-N 2 0 200.301 1.466 10 0 BDAERP C(C[N@@H+]1CCCSCC1)[C@H]1CCCC[NH2+]1 ZINC000043499038 187293314 /nfs/dbraw/zinc/29/33/14/187293314.db2.gz BMXQIZHSUUCETO-GFCCVEGCSA-N 2 0 228.405 1.958 10 0 BDAERP CS[C@@H]1CCC[C@H]1[NH2+]C1CC([NH3+])C1 ZINC000235268554 344864965 /nfs/dbraw/zinc/86/49/65/344864965.db2.gz ZHAAROBWYUVSAF-YDYPAMBWSA-N 2 0 200.351 1.350 10 0 BDAERP C[C@H]1SCC[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000235647123 344966007 /nfs/dbraw/zinc/96/60/07/344966007.db2.gz JJOWZEARAYCREZ-PSASIEDQSA-N 2 0 200.351 1.304 10 0 BDAERP CCC[C@@H](CCO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635003029 345205621 /nfs/dbraw/zinc/20/56/21/345205621.db2.gz FBDFBXGNLQJUTD-RYUDHWBXSA-N 2 0 214.353 1.269 10 0 BDAERP CCC[C@@H](CCO)[NH2+]C1CCC([NH3+])CC1 ZINC000635004107 345207003 /nfs/dbraw/zinc/20/70/03/345207003.db2.gz NFPGFTMNLNPQKQ-CXQJBGSLSA-N 2 0 214.353 1.397 10 0 BDAERP CCC[C@H](CCO)[NH2+]C1CCC([NH3+])CC1 ZINC000635004108 345207037 /nfs/dbraw/zinc/20/70/37/345207037.db2.gz NFPGFTMNLNPQKQ-MOENNCHZSA-N 2 0 214.353 1.397 10 0 BDAERP CC[NH+](CC)CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000142382540 345705340 /nfs/dbraw/zinc/70/53/40/345705340.db2.gz WOQAWIICTLUYLZ-AWEZNQCLSA-N 2 0 239.407 1.498 10 0 BDAERP CNc1cc(NCCC[NH+](C)C)nc(C)[nH+]1 ZINC000087808295 345942226 /nfs/dbraw/zinc/94/22/26/345942226.db2.gz QKMQCDKPGUOPPF-UHFFFAOYSA-N 2 0 223.324 1.190 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000669378411 537966173 /nfs/dbraw/zinc/96/61/73/537966173.db2.gz DMZJLPXVXFRWJC-AGIUHOORSA-N 2 0 225.380 1.045 10 0 BDAERP Cc1cccc(OC[C@@H](CC[NH3+])[NH+](C)C)c1C ZINC000020401579 179171611 /nfs/dbraw/zinc/17/16/11/179171611.db2.gz XCQSINGHZSQFCY-CYBMUJFWSA-N 2 0 236.359 1.961 10 0 BDAERP [NH3+]CCNCc1ccc(C[NH+]2CCCCC2)o1 ZINC000038525134 347165200 /nfs/dbraw/zinc/16/52/00/347165200.db2.gz BVLCIEXDCSICGJ-UHFFFAOYSA-N 2 0 237.347 1.314 10 0 BDAERP C[C@H](CN[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000390644070 259396436 /nfs/dbraw/zinc/39/64/36/259396436.db2.gz LSBYSHRGHQETBZ-HIFRSBDPSA-N 2 0 247.386 1.458 10 0 BDAERP C[C@@H]([NH2+]CCc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000577267872 365908142 /nfs/dbraw/zinc/90/81/42/365908142.db2.gz PDKAGVVSBVSGFF-CHWSQXEVSA-N 2 0 233.359 1.602 10 0 BDAERP CSCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000591567838 347671129 /nfs/dbraw/zinc/67/11/29/347671129.db2.gz VWWHJLHAHHMCDG-VHSXEESVSA-N 2 0 202.367 1.327 10 0 BDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000300846952 362930328 /nfs/dbraw/zinc/93/03/28/362930328.db2.gz NDLRDGOZXYOSFA-VHSXEESVSA-N 2 0 214.378 1.470 10 0 BDAERP CC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000133536476 191041818 /nfs/dbraw/zinc/04/18/18/191041818.db2.gz WFNIHBXUWMOHTK-STQMWFEESA-N 2 0 228.380 1.469 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000336654075 350597666 /nfs/dbraw/zinc/59/76/66/350597666.db2.gz JYAZMTBJFHXYCZ-OLZOCXBDSA-N 2 0 227.396 1.578 10 0 BDAERP C[C@H]([C@H](C)[NH3+])[N@@H+]1CCSC(C)(C)CC1 ZINC000306701726 350850842 /nfs/dbraw/zinc/85/08/42/350850842.db2.gz HDJVVGLCQZERFX-VHSXEESVSA-N 2 0 216.394 1.940 10 0 BDAERP C[C@@H]1CSC[C@@H]1[NH+]1CCC([NH3+])CC1 ZINC000306675864 350827075 /nfs/dbraw/zinc/82/70/75/350827075.db2.gz UOLXGELMBXLQKQ-SCZZXKLOSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1CSC[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000306675863 350827172 /nfs/dbraw/zinc/82/71/72/350827172.db2.gz UOLXGELMBXLQKQ-PSASIEDQSA-N 2 0 200.351 1.161 10 0 BDAERP CC1(C)CN(C(N)=[NH2+])CCN1Cc1ccccc1 ZINC000306786023 351032822 /nfs/dbraw/zinc/03/28/22/351032822.db2.gz OQXPWQYWTQHXHS-UHFFFAOYSA-N 2 0 246.358 1.476 10 0 BDAERP [NH3+]C1CC[NH+](C2CC(C(F)F)C2)CC1 ZINC000306806332 351056066 /nfs/dbraw/zinc/05/60/66/351056066.db2.gz JJXXOBUZDIQIOG-UHFFFAOYSA-N 2 0 204.264 1.453 10 0 BDAERP [NH3+]CCN1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000616653787 351194767 /nfs/dbraw/zinc/19/47/67/351194767.db2.gz JVQAAPAKSKOJQS-GFCCVEGCSA-N 2 0 239.750 1.245 10 0 BDAERP FC(F)(F)CCN1CCC[NH2+]CCC1 ZINC000063101200 351139559 /nfs/dbraw/zinc/13/95/59/351139559.db2.gz COVHLSVVIMFCMO-UHFFFAOYSA-N 2 0 210.243 1.624 10 0 BDAERP CC(C)(C)[N@@H+]1CCO[C@@H](CC[NH3+])CC1 ZINC000616666213 351225457 /nfs/dbraw/zinc/22/54/57/351225457.db2.gz KZPZDWWWHCWEMZ-JTQLQIEISA-N 2 0 200.326 1.225 10 0 BDAERP CS[C@H]1CCCN(C(C)(C)C[NH3+])C1 ZINC000307216274 351615428 /nfs/dbraw/zinc/61/54/28/351615428.db2.gz BQLQJQARHDZTSA-VIFPVBQESA-N 2 0 202.367 1.551 10 0 BDAERP C[C@@H]1SCC[C@H]1[N@H+](C)C1CC([NH3+])C1 ZINC000307245274 351753247 /nfs/dbraw/zinc/75/32/47/351753247.db2.gz MBGQGVJQQGZIQM-AUXWQGHOSA-N 2 0 200.351 1.302 10 0 BDAERP C[C@H]1CSC[C@H]1[N@H+](C)C1CC([NH3+])C1 ZINC000307245317 351753488 /nfs/dbraw/zinc/75/34/88/351753488.db2.gz VQHOPXYJRQQHJT-AUXWQGHOSA-N 2 0 200.351 1.159 10 0 BDAERP FC1(F)CC[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000307286740 351849958 /nfs/dbraw/zinc/84/99/58/351849958.db2.gz RWTRBGHJNHBQJO-IUCAKERBSA-N 2 0 204.264 1.373 10 0 BDAERP CC(C)[NH+](C(C)C)C1CCN(CC[NH3+])CC1 ZINC000725273819 538104882 /nfs/dbraw/zinc/10/48/82/538104882.db2.gz JLIBSVSEWJZKAU-UHFFFAOYSA-N 2 0 227.396 1.528 10 0 BDAERP C[C@@H]1CSC(NCC2([NH+](C)C)CC2)=[NH+]1 ZINC000307298433 353067514 /nfs/dbraw/zinc/06/75/14/353067514.db2.gz AGOLURSWPMHNOV-MRVPVSSYSA-N 2 0 213.350 1.162 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]([N@@H+]2CCCSCC2)C1 ZINC000223138683 353139508 /nfs/dbraw/zinc/13/95/08/353139508.db2.gz LXKAUAPCSIRLKR-NXEZZACHSA-N 2 0 200.351 1.305 10 0 BDAERP C[C@H]1CC[NH2+]CC[N@@H+]1[C@@H]1CCSC1 ZINC000405275665 353156111 /nfs/dbraw/zinc/15/61/11/353156111.db2.gz WXYKHRXOVSZBRX-VHSXEESVSA-N 2 0 200.351 1.176 10 0 BDAERP CC(C)[C@H](C[NH3+])N1C[C@@H](C)OC[C@@H]1C ZINC000223180460 353318357 /nfs/dbraw/zinc/31/83/57/353318357.db2.gz RNNMLPMFMPAYGE-AXFHLTTASA-N 2 0 200.326 1.079 10 0 BDAERP COC(C)(C)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000301039093 363358423 /nfs/dbraw/zinc/35/84/23/363358423.db2.gz YLUAWSJQJYKHQJ-UTLUCORTSA-N 2 0 200.326 1.079 10 0 BDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C(C)C ZINC000234799113 363431661 /nfs/dbraw/zinc/43/16/61/363431661.db2.gz XCIJVKSEMOBPTJ-QWRGUYRKSA-N 2 0 202.342 1.374 10 0 BDAERP NC(=[NH2+])CCC[N@@H+]1CCc2ccccc2C1 ZINC000019504009 181187131 /nfs/dbraw/zinc/18/71/31/181187131.db2.gz CILJDHYMJYHDLJ-UHFFFAOYSA-N 2 0 217.316 1.761 10 0 BDAERP NC(=[NH2+])NC(=[NH2+])SCc1ccc(Cl)nc1 ZINC000014966676 181190177 /nfs/dbraw/zinc/19/01/77/181190177.db2.gz KWQWMPVDDZEAHE-UHFFFAOYSA-N 2 0 243.723 1.386 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCCOC1 ZINC000389066040 355582361 /nfs/dbraw/zinc/58/23/61/355582361.db2.gz LIVYDOOPFSYCAW-QNWHQSFQSA-N 2 0 226.364 1.519 10 0 BDAERP CCCCOCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168734216 535313594 /nfs/dbraw/zinc/31/35/94/535313594.db2.gz AQDYAVRKHGIUAN-GFCCVEGCSA-N 2 0 214.353 1.535 10 0 BDAERP C[N@H+](C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000675059037 538483394 /nfs/dbraw/zinc/48/33/94/538483394.db2.gz HTGDJQAMSFMKCW-OAHLLOKOSA-N 2 0 246.354 1.460 10 0 BDAERP C[C@H]1CCC[N@H+](Cc2c(C[NH3+])cnn2C)[C@H]1C ZINC000675056007 538477021 /nfs/dbraw/zinc/47/70/21/538477021.db2.gz HTNHSNVMARDLHZ-QWRGUYRKSA-N 2 0 236.363 1.499 10 0 BDAERP O[C@H](C[NH+]1CCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059867 538486122 /nfs/dbraw/zinc/48/61/22/538486122.db2.gz WUMWWDNRZAAKGV-CQSZACIVSA-N 2 0 232.327 1.071 10 0 BDAERP [NH3+]Cc1cc(Br)c2c(c1)CC[NH2+]C2 ZINC000675074850 538507972 /nfs/dbraw/zinc/50/79/72/538507972.db2.gz JEULGBBMOBZCGU-UHFFFAOYSA-N 2 0 241.132 1.554 10 0 BDAERP CCC[NH+](CCC)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075302 538508814 /nfs/dbraw/zinc/50/88/14/538508814.db2.gz LFVWIUKDKSVOAX-LLVKDONJSA-N 2 0 240.347 1.014 10 0 BDAERP Cc1cc(C2=C[C@@H](N)C[NH2+]C2)cnc1C ZINC000675078586 538515999 /nfs/dbraw/zinc/51/59/99/538515999.db2.gz RBFRIGIYCCHJSB-GFCCVEGCSA-N 2 0 203.289 1.012 10 0 BDAERP CCC[N@H+](CC)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675079353 538517990 /nfs/dbraw/zinc/51/79/90/538517990.db2.gz FJWSNJGNGZACDP-NWDGAFQWSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@@H]([NH2+]CCc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000582480704 357316626 /nfs/dbraw/zinc/31/66/26/357316626.db2.gz QRGBEMHHAOBOSG-OCCSQVGLSA-N 2 0 233.359 1.602 10 0 BDAERP CCN1C[C@H]([NH2+]CC2(F)CC2)[C@@H](C)C1 ZINC000308570106 491137086 /nfs/dbraw/zinc/13/70/86/491137086.db2.gz BTAWDDOGPBGJHA-UWVGGRQHSA-N 2 0 200.301 1.418 10 0 BDAERP C[C@@H]([NH2+]CCOCC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000578314078 366497032 /nfs/dbraw/zinc/49/70/32/366497032.db2.gz ZQZFKXHTBIIARD-NXEZZACHSA-N 2 0 236.306 1.246 10 0 BDAERP C[C@@H]1[C@@H]([NH3+])CC[N@H+](CCC(F)F)[C@H]1C ZINC000306219527 359338322 /nfs/dbraw/zinc/33/83/22/359338322.db2.gz MXWGVILITJHOEH-CIUDSAMLSA-N 2 0 206.280 1.699 10 0 BDAERP CCCc1cc(N2CCC[NH2+]CC2)nc(C)n1 ZINC000045951108 359745582 /nfs/dbraw/zinc/74/55/82/359745582.db2.gz ISWIWGHYKPFREF-UHFFFAOYSA-N 2 0 234.347 1.537 10 0 BDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH+]1CCSCC1 ZINC000306437647 359946893 /nfs/dbraw/zinc/94/68/93/359946893.db2.gz MBAANRQVYRCZNL-UWVGGRQHSA-N 2 0 200.351 1.033 10 0 BDAERP CC1(C)CS[C@](C)([C@@H]2CCC[NH2+]2)N1 ZINC000306573340 360463089 /nfs/dbraw/zinc/46/30/89/360463089.db2.gz HLBQQDCZNJRHRJ-WCBMZHEXSA-N 2 0 200.351 1.570 10 0 BDAERP CSC1CC[NH+]([C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000300809342 360513813 /nfs/dbraw/zinc/51/38/13/360513813.db2.gz GWQGXPMEDFEQFB-ZJUUUORDSA-N 2 0 214.378 1.694 10 0 BDAERP CSC1CC[NH+]([C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000300809339 360513841 /nfs/dbraw/zinc/51/38/41/360513841.db2.gz GWQGXPMEDFEQFB-VHSXEESVSA-N 2 0 214.378 1.694 10 0 BDAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000579227551 366737864 /nfs/dbraw/zinc/73/78/64/366737864.db2.gz OXTRFMRFUNNBCV-STQMWFEESA-N 2 0 242.407 1.715 10 0 BDAERP [NH3+]C1CCC(C[NH2+]C[C@H]2CCCO2)CC1 ZINC000040410551 181341343 /nfs/dbraw/zinc/34/13/43/181341343.db2.gz WHEXUDIVFOVGHR-HTAVTVPLSA-N 2 0 212.337 1.273 10 0 BDAERP [NH3+]C1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000051692899 181342484 /nfs/dbraw/zinc/34/24/84/181342484.db2.gz WCQNDWHLJRNPKN-RTBKNWGFSA-N 2 0 200.351 1.351 10 0 BDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccnc1 ZINC000054628349 181344970 /nfs/dbraw/zinc/34/49/70/181344970.db2.gz KOGYBKOGRMDPPW-AGUYFDCRSA-N 2 0 231.343 1.578 10 0 BDAERP C[C@H](C[NH3+])[C@@H](C)[N@@H+]1CCSC[C@H]1C ZINC000252610160 364016221 /nfs/dbraw/zinc/01/62/21/364016221.db2.gz ULTHJTTVIOSKEX-OPRDCNLKSA-N 2 0 202.367 1.407 10 0 BDAERP CO[C@@H]1CN(CCc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630368090 364084985 /nfs/dbraw/zinc/08/49/85/364084985.db2.gz QGNMQXIMOVUNMS-UONOGXRCSA-N 2 0 249.358 1.062 10 0 BDAERP CO[C@H]1C[N@H+](CC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630365886 364083683 /nfs/dbraw/zinc/08/36/83/364083683.db2.gz WQTXSQJQBQMOJH-NEPJUHHUSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@]1([NH3+])CC=C(c2ccc(C[NH3+])c(F)n2)CC1 ZINC000725271717 541339975 /nfs/dbraw/zinc/33/99/75/541339975.db2.gz AYJWFRCPNCDZEA-CYBMUJFWSA-N 2 0 235.306 1.964 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CCCC1 ZINC000051252599 181359340 /nfs/dbraw/zinc/35/93/40/181359340.db2.gz TUSWVMMIPJLKIT-STQMWFEESA-N 2 0 238.375 1.759 10 0 BDAERP [NH3+]CCc1nc2c(s1)C[N@@H+](C1CC1)CC2 ZINC000308961984 541351588 /nfs/dbraw/zinc/35/15/88/541351588.db2.gz GPIZOWPFHCOQKA-UHFFFAOYSA-N 2 0 223.345 1.165 10 0 BDAERP [NH3+]CCCCC[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000062973662 181375499 /nfs/dbraw/zinc/37/54/99/181375499.db2.gz HYJNNRSPRSHFOZ-AWEZNQCLSA-N 2 0 239.407 1.676 10 0 BDAERP [NH3+]CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000037713659 181382956 /nfs/dbraw/zinc/38/29/56/181382956.db2.gz OMGZMDFUIXHLBQ-NSHDSACASA-N 2 0 206.289 1.318 10 0 BDAERP C[C@@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000575894864 365407757 /nfs/dbraw/zinc/40/77/57/365407757.db2.gz JTXUPTGKAKPDSH-BPLDGKMQSA-N 2 0 248.370 1.698 10 0 BDAERP CC(C)(C)c1cn2c([nH+]1)NCC[C@@H]2C[NH3+] ZINC000232521465 541505193 /nfs/dbraw/zinc/50/51/93/541505193.db2.gz OKDKHAWECKCFLG-MRVPVSSYSA-N 2 0 208.309 1.496 10 0 BDAERP [NH3+]C1CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC000386053781 367905255 /nfs/dbraw/zinc/90/52/55/367905255.db2.gz VYAGPTFRNXMITO-WXRRBKDZSA-N 2 0 226.364 1.397 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)[C@@H]1C ZINC000386015764 367897163 /nfs/dbraw/zinc/89/71/63/367897163.db2.gz VALUPAQEISWILU-SYQHCUMBSA-N 2 0 240.391 1.467 10 0 BDAERP CC(C)NC(=[NH2+])NC(=[NH2+])Nc1ccccc1 ZINC000114357190 368936812 /nfs/dbraw/zinc/93/68/12/368936812.db2.gz MBJBAEJPGXZCJH-UHFFFAOYSA-N 2 0 219.292 1.556 10 0 BDAERP CO[C@H](C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631836830 369085017 /nfs/dbraw/zinc/08/50/17/369085017.db2.gz HQWKNAMIYXMLGD-AEGPPILISA-N 2 0 248.370 1.901 10 0 BDAERP C[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000631840758 369311392 /nfs/dbraw/zinc/31/13/92/369311392.db2.gz VGJMSUJULZLNQX-JQWIXIFHSA-N 2 0 205.305 1.108 10 0 BDAERP C[C@H](C[NH3+])C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000226666456 371719881 /nfs/dbraw/zinc/71/98/81/371719881.db2.gz KMWLBKCETIWCFR-UTLUCORTSA-N 2 0 202.367 1.407 10 0 BDAERP CSC[C@@H](C)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000229422013 372150998 /nfs/dbraw/zinc/15/09/98/372150998.db2.gz XMBMGVAAJZIDRG-VHSXEESVSA-N 2 0 202.367 1.422 10 0 BDAERP O=C(C[C@@H]1CCCC[NH2+]1)C[C@@H]1CCCC[NH2+]1 ZINC000000967783 182016957 /nfs/dbraw/zinc/01/69/57/182016957.db2.gz JFMCQBGTUJUOAB-RYUDHWBXSA-N 2 0 224.348 1.620 10 0 in-vitro BDAERP O[C@@]12CCCC[C@@H]1C[N@H+](CCn1ccnc1)CC2 ZINC000160823854 183217987 /nfs/dbraw/zinc/21/79/87/183217987.db2.gz JTMVGIDWAWFNEJ-ZIAGYGMSSA-N 2 0 249.358 1.510 10 0 BDAERP CCC[NH+]1CCC(NC2=[NH+]CCS2)CC1 ZINC000049559138 169188301 /nfs/dbraw/zinc/18/83/01/169188301.db2.gz RGZKELMSIFBKTI-UHFFFAOYSA-N 2 0 227.377 1.553 10 0 BDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](CC)CO)C1 ZINC000037221576 169194398 /nfs/dbraw/zinc/19/43/98/169194398.db2.gz XPKNHYOJXLTQIX-MCIONIFRSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[NH+]1CCN(CCCCCCC[NH3+])CC1 ZINC000020073821 169202414 /nfs/dbraw/zinc/20/24/14/169202414.db2.gz UPCWTFUVHOZDHU-UHFFFAOYSA-N 2 0 241.423 1.923 10 0 BDAERP CCC[NH+]1CCN(CC(C)(C)[NH2+]C)CC1 ZINC000061319501 169203393 /nfs/dbraw/zinc/20/33/93/169203393.db2.gz QAIISFZSSKNAOI-UHFFFAOYSA-N 2 0 213.369 1.012 10 0 BDAERP CCC[NH+]1CCN(C[C@]2(CC)CC[NH2+]C2)CC1 ZINC000062910950 169203902 /nfs/dbraw/zinc/20/39/02/169203902.db2.gz VMNFFISAHVGMTQ-CQSZACIVSA-N 2 0 239.407 1.404 10 0 BDAERP CCC[NH2+]C1CCN(C[C@H]2CC[N@H+](C)C2)CC1 ZINC000037647606 169255806 /nfs/dbraw/zinc/25/58/06/169255806.db2.gz FEHQXKJVHFKRRU-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP CCC[NH2+]CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055069217 169257657 /nfs/dbraw/zinc/25/76/57/169257657.db2.gz LLKPEOCGIDCZGE-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]CCN(C)C1CC[NH+](C)CC1 ZINC000044380328 169258381 /nfs/dbraw/zinc/25/83/81/169258381.db2.gz BUDVTMLNPFXYLI-UHFFFAOYSA-N 2 0 213.369 1.012 10 0 BDAERP CCC[NH2+]C[C@@H](CC)N1CC[N@H+](C)C(C)(C)C1 ZINC000104131409 169263000 /nfs/dbraw/zinc/26/30/00/169263000.db2.gz OEFPQVWOQCLLFE-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)[C@@H]2CCCO2)C1 ZINC000053031166 169262143 /nfs/dbraw/zinc/26/21/43/169262143.db2.gz VODDZMXKMMNWLM-IHRRRGAJSA-N 2 0 240.391 1.875 10 0 BDAERP CCC[NH2+]C[C@H](CC)N1CC[N@H+](C)C(C)(C)C1 ZINC000104131414 169263344 /nfs/dbraw/zinc/26/33/44/169263344.db2.gz OEFPQVWOQCLLFE-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000052479990 169263782 /nfs/dbraw/zinc/26/37/82/169263782.db2.gz GNNSANJDBZZSRV-AWEZNQCLSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@](C)(CCC)C[N@@H+]1CC[C@H](O)C1 ZINC000061711739 169264420 /nfs/dbraw/zinc/26/44/20/169264420.db2.gz FFDBZOGHHPOQTO-KBPBESRZSA-N 2 0 242.407 1.859 10 0 BDAERP c1ccc(CC[NH+]2CCC[NH2+]CCC2)nc1 ZINC000049666565 183391670 /nfs/dbraw/zinc/39/16/70/183391670.db2.gz UKTQNRXCMJOFJO-UHFFFAOYSA-N 2 0 219.332 1.310 10 0 BDAERP CCC[NH2+][C@@H](C)CCN1CCC[C@@H]1C[NH+](C)C ZINC000061643766 169274387 /nfs/dbraw/zinc/27/43/87/169274387.db2.gz OQHRJAIWQAWMJI-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](CCO)C1CC1 ZINC000053880273 169282095 /nfs/dbraw/zinc/28/20/95/169282095.db2.gz YBEWRGSALSFKDZ-TZMCWYRMSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[C@@H]([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052061479 169393139 /nfs/dbraw/zinc/39/31/39/169393139.db2.gz NZGOFNAISOGRRC-CYBMUJFWSA-N 2 0 239.407 1.674 10 0 BDAERP O=C(C[NH2+]CC1CC[NH2+]CC1)c1cccs1 ZINC000095072817 384344861 /nfs/dbraw/zinc/34/48/61/384344861.db2.gz FRIGEYIKMSUMDU-UHFFFAOYSA-N 2 0 238.356 1.520 10 0 BDAERP C[NH+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000095074231 384351195 /nfs/dbraw/zinc/35/11/95/384351195.db2.gz MGWVTGRKKDEHIA-HUUCEWRRSA-N 2 0 248.370 1.431 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cc(Br)ccc1F ZINC000259218465 384589691 /nfs/dbraw/zinc/58/96/91/384589691.db2.gz GSNSCNOKGYJQPP-VIFPVBQESA-N 2 0 247.111 1.937 10 0 BDAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])C1CC1 ZINC000011848772 384617782 /nfs/dbraw/zinc/61/77/82/384617782.db2.gz YDHOYJVNZXEPIL-GFCCVEGCSA-N 2 0 207.321 1.460 10 0 BDAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])[C@@H]1CCCO1 ZINC000011848803 384623596 /nfs/dbraw/zinc/62/35/96/384623596.db2.gz LFSUZAFAKHQISJ-QWHCGFSZSA-N 2 0 237.347 1.229 10 0 BDAERP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1F ZINC000259025026 384958866 /nfs/dbraw/zinc/95/88/66/384958866.db2.gz ZDFDOVMKZPRBKW-LLVKDONJSA-N 2 0 238.306 1.533 10 0 BDAERP COC[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000397254890 385415879 /nfs/dbraw/zinc/41/58/79/385415879.db2.gz QQLGEFZSLOLMNT-UTUOFQBUSA-N 2 0 212.337 1.128 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccccc1Br ZINC000259511466 385531967 /nfs/dbraw/zinc/53/19/67/385531967.db2.gz VEBSWYIQXYKBAW-VIFPVBQESA-N 2 0 229.121 1.798 10 0 BDAERP CC1(C)CC[N@@H+]1C[C@H]1C[NH2+]CCS1 ZINC000575582227 386247856 /nfs/dbraw/zinc/24/78/56/386247856.db2.gz DAESIDARISYFRW-SECBINFHSA-N 2 0 200.351 1.176 10 0 BDAERP FC1(F)CCC[C@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000334787606 386849740 /nfs/dbraw/zinc/84/97/40/386849740.db2.gz XCLWPJWHOFZYAK-UWVGGRQHSA-N 2 0 218.291 1.763 10 0 BDAERP C[C@H]1CSCC[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 ZINC000575485773 387246456 /nfs/dbraw/zinc/24/64/56/387246456.db2.gz QVIZDYWEJOLJDQ-GUBZILKMSA-N 2 0 200.351 1.161 10 0 BDAERP CO[C@H](C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643464089 387356818 /nfs/dbraw/zinc/35/68/18/387356818.db2.gz SOWILKAIHXIRLU-UTUOFQBUSA-N 2 0 214.353 1.389 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]C1 ZINC000516016505 387448108 /nfs/dbraw/zinc/44/81/08/387448108.db2.gz DMGIMSWPQGQJDT-FDYHWXHSSA-N 2 0 226.364 1.532 10 0 BDAERP Cc1occc1C[NH2+]C1CCC([NH3+])CC1 ZINC000321516379 387387120 /nfs/dbraw/zinc/38/71/20/387387120.db2.gz IGBMUEZGSHQTCM-UHFFFAOYSA-N 2 0 208.305 1.948 10 0 BDAERP C[C@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400796104 387393762 /nfs/dbraw/zinc/39/37/62/387393762.db2.gz SUXUQLJHHVLEOT-IACUBPJLSA-N 2 0 234.343 1.308 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000520792903 387544859 /nfs/dbraw/zinc/54/48/59/387544859.db2.gz WCNDTPWLQGLLQD-SRVKXCTJSA-N 2 0 212.337 1.143 10 0 BDAERP CS[C@@H]1CC[C@@H]1N1CCC[C@@H]([NH3+])C1 ZINC000575545849 387631145 /nfs/dbraw/zinc/63/11/45/387631145.db2.gz QXNYRCCBVLDIKI-KXUCPTDWSA-N 2 0 200.351 1.304 10 0 BDAERP Cc1ccc2[nH+]ccc(N(C)CC[NH3+])c2c1 ZINC000212069562 387682151 /nfs/dbraw/zinc/68/21/51/387682151.db2.gz UXMJJNUCCYBBAS-UHFFFAOYSA-N 2 0 215.300 1.938 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CCC[NH2+]CC1 ZINC000129111625 387764851 /nfs/dbraw/zinc/76/48/51/387764851.db2.gz PMHVNMUJBZTBTL-UONOGXRCSA-N 2 0 241.423 1.694 10 0 BDAERP c1ccc(CCC[NH2+][C@H]2CCC[NH2+]CC2)nc1 ZINC000422996558 387803610 /nfs/dbraw/zinc/80/36/10/387803610.db2.gz MMSVQGBIKMEFRT-AWEZNQCLSA-N 2 0 233.359 1.746 10 0 BDAERP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643459131 387832045 /nfs/dbraw/zinc/83/20/45/387832045.db2.gz BCVANIZKEUJYAX-UONOGXRCSA-N 2 0 239.407 1.450 10 0 BDAERP C[N@H+]1C[C@@H]2C[NH+](CCOC(C)(C)C)C[C@@H]2C1 ZINC000193624218 387860094 /nfs/dbraw/zinc/86/00/94/387860094.db2.gz VZCFUPPZKJGETF-TXEJJXNPSA-N 2 0 226.364 1.295 10 0 BDAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)C ZINC000151310909 387815098 /nfs/dbraw/zinc/81/50/98/387815098.db2.gz NCCBSHUSJOYDCO-KBPBESRZSA-N 2 0 242.407 1.857 10 0 BDAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423102671 387889127 /nfs/dbraw/zinc/88/91/27/387889127.db2.gz OLKBTHXLBLRUHC-ITGHMWBKSA-N 2 0 240.391 1.920 10 0 BDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC3)CC[C@H]21 ZINC000245584703 387963178 /nfs/dbraw/zinc/96/31/78/387963178.db2.gz DAHQLXBLVVDNQD-DGCLKSJQSA-N 2 0 208.349 1.955 10 0 BDAERP COCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336661361 388102805 /nfs/dbraw/zinc/10/28/05/388102805.db2.gz CBUSRTOBUSMZQS-FIQHERPVSA-N 2 0 212.337 1.081 10 0 BDAERP C[C@@]1(C(=[NH2+])NO)CC[N@H+](Cc2ccccc2)C1 ZINC000575521187 388357164 /nfs/dbraw/zinc/35/71/64/388357164.db2.gz PQPVYYDZECLIQC-CYBMUJFWSA-N 2 0 233.315 1.855 10 0 BDAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400367483 388370488 /nfs/dbraw/zinc/37/04/88/388370488.db2.gz FRVPZUKHAKSHJS-GCHJQGSQSA-N 2 0 212.337 1.140 10 0 BDAERP CC(C)(CO)CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000393404232 388428316 /nfs/dbraw/zinc/42/83/16/388428316.db2.gz SMZNJGCUYSVNLX-GFCCVEGCSA-N 2 0 228.380 1.517 10 0 BDAERP CC(C)(CO)CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000393404234 388428747 /nfs/dbraw/zinc/42/87/47/388428747.db2.gz SMZNJGCUYSVNLX-LBPRGKRZSA-N 2 0 228.380 1.517 10 0 BDAERP Cc1nccnc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311187417 388493524 /nfs/dbraw/zinc/49/35/24/388493524.db2.gz CROFVYYNSLDLGD-SCDSUCTJSA-N 2 0 248.374 1.763 10 0 BDAERP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000530224373 388634063 /nfs/dbraw/zinc/63/40/63/388634063.db2.gz LVTWJOKFUZNQIK-KIJLLGNVSA-N 2 0 226.364 1.530 10 0 BDAERP Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)cc[nH+]1 ZINC000335655386 177709103 /nfs/dbraw/zinc/70/91/03/177709103.db2.gz BPOFJNYOEXTDMY-SKDRFNHKSA-N 2 0 205.305 1.222 10 0 BDAERP C[C@@H]1C[N@H+](CC2CSC2)CC[C@H]1[NH3+] ZINC000575488492 388880378 /nfs/dbraw/zinc/88/03/78/388880378.db2.gz SMDQROCNKRCAIN-PSASIEDQSA-N 2 0 200.351 1.019 10 0 BDAERP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H]1CCC[NH2+]C1 ZINC000564825726 388891214 /nfs/dbraw/zinc/89/12/14/388891214.db2.gz DRQSVHQVAFJMMA-YNEHKIRRSA-N 2 0 242.407 1.761 10 0 BDAERP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000565769200 388967587 /nfs/dbraw/zinc/96/75/87/388967587.db2.gz QUPCGDVJTGLLLK-BFHYXJOUSA-N 2 0 242.407 1.763 10 0 BDAERP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000566004106 388981651 /nfs/dbraw/zinc/98/16/51/388981651.db2.gz QZZYNZAZLONXKP-QJPTWQEYSA-N 2 0 214.353 1.389 10 0 BDAERP CC(C)OCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566056409 388986044 /nfs/dbraw/zinc/98/60/44/388986044.db2.gz ZNSUORGABOVFSM-OLZOCXBDSA-N 2 0 228.380 1.779 10 0 BDAERP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CCC[NH2+]C1 ZINC000566088883 388986689 /nfs/dbraw/zinc/98/66/89/388986689.db2.gz FOVQISWERCHGML-VXGBXAGGSA-N 2 0 242.407 1.761 10 0 BDAERP C[C@H]([NH2+][C@H]1COCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000566088989 388986921 /nfs/dbraw/zinc/98/69/21/388986921.db2.gz XZEAJAATBPJTHD-SRVKXCTJSA-N 2 0 226.364 1.389 10 0 BDAERP Cc1c[nH+]ccc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000335583431 177649423 /nfs/dbraw/zinc/64/94/23/177649423.db2.gz YPQAPTZFDONOJG-GHMZBOCLSA-N 2 0 205.305 1.494 10 0 BDAERP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400575628 533361928 /nfs/dbraw/zinc/36/19/28/533361928.db2.gz OUOBHBPGVQBXOK-VXGBXAGGSA-N 2 0 226.364 1.269 10 0 BDAERP C[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000400328161 533369936 /nfs/dbraw/zinc/36/99/36/533369936.db2.gz CAXMVENLKQNRKP-ZYHUDNBSSA-N 2 0 228.405 1.717 10 0 BDAERP C[C@@H]([NH2+]CCc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000400535255 533405515 /nfs/dbraw/zinc/40/55/15/533405515.db2.gz SYAAGUOTFTUITH-YPMHNXCESA-N 2 0 236.334 1.956 10 0 BDAERP C[C@@H]([NH3+])c1ccccc1N1CC[NH+](C)CC1 ZINC000019872030 132328384 /nfs/dbraw/zinc/32/83/84/132328384.db2.gz ULTIXSWUNGJBAA-LLVKDONJSA-N 2 0 219.332 1.458 10 0 BDAERP C[C@H](CC[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000049835980 132358360 /nfs/dbraw/zinc/35/83/60/132358360.db2.gz YLKQBALSQMJNCM-CQSZACIVSA-N 2 0 247.386 1.794 10 0 BDAERP C([C@H]1CC[N@@H+](C2CCC2)C1)N1CCOCC1 ZINC000179580092 134322271 /nfs/dbraw/zinc/32/22/71/134322271.db2.gz QKCHZJWJRJDTHH-GFCCVEGCSA-N 2 0 224.348 1.193 10 0 BDAERP CC(C)C[C@H]([NH3+])CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251824877 135082470 /nfs/dbraw/zinc/08/24/70/135082470.db2.gz PDZDUOCVKGKLNC-HZSPNIEDSA-N 2 0 239.407 1.528 10 0 BDAERP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261581407 135110260 /nfs/dbraw/zinc/11/02/60/135110260.db2.gz NOKDPXUKKHIHEZ-NWDGAFQWSA-N 2 0 226.364 1.472 10 0 BDAERP C[NH2+]CCN(C)C[C@@H]1CCCC(F)(F)C1 ZINC000261527288 135151456 /nfs/dbraw/zinc/15/14/56/135151456.db2.gz MBQPCOKHSSAXPS-SNVBAGLBSA-N 2 0 220.307 1.963 10 0 BDAERP Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])cc[nH+]1 ZINC000261535442 135169537 /nfs/dbraw/zinc/16/95/37/135169537.db2.gz YWUPBUSNKZFVEC-MFKMUULPSA-N 2 0 219.332 1.954 10 0 BDAERP CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000261536821 135173034 /nfs/dbraw/zinc/17/30/34/135173034.db2.gz TUZZSACGNHGNGW-RYUDHWBXSA-N 2 0 208.349 1.718 10 0 BDAERP CCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)CCOCC1 ZINC000261544979 135186177 /nfs/dbraw/zinc/18/61/77/135186177.db2.gz FLLJQPJDYLIEQN-STQMWFEESA-N 2 0 240.391 1.781 10 0 BDAERP [NH3+]CCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000262948749 135325149 /nfs/dbraw/zinc/32/51/49/135325149.db2.gz JIRFDMZEZFKWNY-WDEREUQCSA-N 2 0 240.372 1.595 10 0 BDAERP CCC1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263142398 135335673 /nfs/dbraw/zinc/33/56/73/135335673.db2.gz CLLOFFVUQYQCCC-KPFVRQRISA-N 2 0 226.364 1.125 10 0 BDAERP CC1(C)CCC(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263150630 135335868 /nfs/dbraw/zinc/33/58/68/135335868.db2.gz DASDEVHILWRTJM-OLZOCXBDSA-N 2 0 240.391 1.373 10 0 BDAERP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000348185636 136044288 /nfs/dbraw/zinc/04/42/88/136044288.db2.gz BWICRPDCUDVSFF-TUAOUCFPSA-N 2 0 212.337 1.238 10 0 BDAERP COc1ccc(C[NH2+]C(C)(C)CC[NH3+])cc1 ZINC000258859694 322879138 /nfs/dbraw/zinc/87/91/38/322879138.db2.gz OLKKHXRALUWSBV-UHFFFAOYSA-N 2 0 222.332 1.912 10 0 BDAERP C[N@H+](CCO[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662265479 409560533 /nfs/dbraw/zinc/56/05/33/409560533.db2.gz CADYXFSCVOETNJ-WDEREUQCSA-N 2 0 248.317 1.485 10 0 BDAERP Cc1c[nH+]ccc1NC[C@H]1CCCC[NH2+]1 ZINC000070047559 410430966 /nfs/dbraw/zinc/43/09/66/410430966.db2.gz OMRWICYCBJGXHL-LLVKDONJSA-N 2 0 205.305 1.944 10 0 BDAERP CCN(CC)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000019518710 169762294 /nfs/dbraw/zinc/76/22/94/169762294.db2.gz JQHSSWPTAGSCDD-UHFFFAOYSA-N 2 0 227.396 1.530 10 0 BDAERP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000665274082 410743627 /nfs/dbraw/zinc/74/36/27/410743627.db2.gz JKSPTKRLEWKOFV-IHRRRGAJSA-N 2 0 239.407 1.448 10 0 BDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCS[C@@H](C)C1 ZINC000309302480 410793340 /nfs/dbraw/zinc/79/33/40/410793340.db2.gz YVPQKEYJAHRNHJ-NWDGAFQWSA-N 2 0 246.420 1.125 10 0 BDAERP CC(C)C[NH2+]CCCN(C)CC[NH+]1CCCC1 ZINC000063051770 167002471 /nfs/dbraw/zinc/00/24/71/167002471.db2.gz LYTXVMUPBQIULI-UHFFFAOYSA-N 2 0 241.423 1.650 10 0 BDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000049220382 167395814 /nfs/dbraw/zinc/39/58/14/167395814.db2.gz NLFXWZKIWFAPLI-GHMZBOCLSA-N 2 0 243.395 1.062 10 0 BDAERP Cc1cc(NC[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000107198559 411132780 /nfs/dbraw/zinc/13/27/80/411132780.db2.gz LXZNCNJAQOWWQB-LBPRGKRZSA-N 2 0 205.305 1.944 10 0 BDAERP [NH3+]C1CCC([NH2+]CC2(CO)CCCCC2)CC1 ZINC000123175138 411438686 /nfs/dbraw/zinc/43/86/86/411438686.db2.gz REZACFIVLARTBT-UHFFFAOYSA-N 2 0 240.391 1.789 10 0 BDAERP CC[N@@H+]1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000011802508 170025675 /nfs/dbraw/zinc/02/56/75/170025675.db2.gz HHMKRRDOOPRYOB-ZDUSSCGKSA-N 2 0 204.317 1.955 10 0 BDAERP CC[NH2+]C1CCN([C@H]2CCC[N@H+](CC)C2)CC1 ZINC000049216624 170110010 /nfs/dbraw/zinc/11/00/10/170110010.db2.gz YHHXGIXWRCSQRN-AWEZNQCLSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH2+]CC(CC)(CC)C[NH+]1CCC(O)CC1 ZINC000051207237 170111003 /nfs/dbraw/zinc/11/10/03/170111003.db2.gz JFVYQAOSKJSPHJ-UHFFFAOYSA-N 2 0 242.407 1.859 10 0 BDAERP CC[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763375 170111057 /nfs/dbraw/zinc/11/10/57/170111057.db2.gz HAOTULPSYMRHKF-CYBMUJFWSA-N 2 0 242.407 1.859 10 0 BDAERP CC[NH2+]CCCC[N@H+](CCCOC)CCOC ZINC000052543178 170111626 /nfs/dbraw/zinc/11/16/26/170111626.db2.gz NYEDXSYYPFZKBK-UHFFFAOYSA-N 2 0 246.395 1.361 10 0 BDAERP CC[NH2+]CCCCC[N@H+](C)C1CCN(C)CC1 ZINC000052419893 170112047 /nfs/dbraw/zinc/11/20/47/170112047.db2.gz NEZWOKVGWPAPCS-UHFFFAOYSA-N 2 0 241.423 1.792 10 0 BDAERP CC[NH2+]C[C@@H](C(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000104131390 170118018 /nfs/dbraw/zinc/11/80/18/170118018.db2.gz NLEITTJMDUYTHF-ZDUSSCGKSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+]C[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000053031032 170119958 /nfs/dbraw/zinc/11/99/58/170119958.db2.gz PHLABUXXOSTNRY-LBPRGKRZSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479953 170120743 /nfs/dbraw/zinc/12/07/43/170120743.db2.gz FJPCTNDHQUAPFH-CQSZACIVSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+]C[C@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055082996 170122173 /nfs/dbraw/zinc/12/21/73/170122173.db2.gz IPHOEDRSFUKFBA-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000095091545 170122378 /nfs/dbraw/zinc/12/23/78/170122378.db2.gz NDTHGBXTJCOSAV-CABCVRRESA-N 2 0 248.370 1.479 10 0 BDAERP CC[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000052379500 170126307 /nfs/dbraw/zinc/12/63/07/170126307.db2.gz VPROPRKMRPEVJL-UHFFFAOYSA-N 2 0 247.386 1.544 10 0 BDAERP CC[NH2+]Cc1ccccc1C[N@H+](C)CCOC ZINC000052572957 170128720 /nfs/dbraw/zinc/12/87/20/170128720.db2.gz VIVZLHUWENYMNF-UHFFFAOYSA-N 2 0 236.359 1.874 10 0 BDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)CC)nn1 ZINC000052444171 170129730 /nfs/dbraw/zinc/12/97/30/170129730.db2.gz BSBFNJAIEDCETJ-NSHDSACASA-N 2 0 239.367 1.118 10 0 BDAERP CC[NH2+][C@@H](C)[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079189 170140156 /nfs/dbraw/zinc/14/01/56/170140156.db2.gz HQBDNAVHWCVYEK-UONOGXRCSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104420291 170159308 /nfs/dbraw/zinc/15/93/08/170159308.db2.gz UMVHJIDKZMECFY-RQJABVFESA-N 2 0 240.391 1.610 10 0 BDAERP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1CCCC[C@@H]1CO ZINC000053877171 170166877 /nfs/dbraw/zinc/16/68/77/170166877.db2.gz GZJUWNKFJJDCKU-MCIONIFRSA-N 2 0 240.391 1.611 10 0 BDAERP CCOC1CC[NH+](C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053870215 170332120 /nfs/dbraw/zinc/33/21/20/170332120.db2.gz WOAJRIPVUPNIKY-YPMHNXCESA-N 2 0 226.364 1.615 10 0 BDAERP CC[C@@H](C)[C@H]([NH3+])CN(C)C1CC[NH+](CC)CC1 ZINC000042689486 170796105 /nfs/dbraw/zinc/79/61/05/170796105.db2.gz VHDHBCBWGYMRKR-TZMCWYRMSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@@H]1CCN([C@@H]2CCC[N@H+](CC)C2)CC[NH2+]1 ZINC000049662454 171014785 /nfs/dbraw/zinc/01/47/85/171014785.db2.gz MIYZGYVZWQBPRU-ZIAGYGMSSA-N 2 0 239.407 1.545 10 0 BDAERP CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000125906226 171056088 /nfs/dbraw/zinc/05/60/88/171056088.db2.gz ZSOUAFFJEKRSGO-AGIUHOORSA-N 2 0 228.380 1.467 10 0 BDAERP CC[C@@]1(CN2CCC[N@H+](C)CC2)CCC[NH2+]C1 ZINC000062861836 171211181 /nfs/dbraw/zinc/21/11/81/171211181.db2.gz RGKMNDUHEFTQNO-CQSZACIVSA-N 2 0 239.407 1.404 10 0 BDAERP CC[C@H](C)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000055083389 171318643 /nfs/dbraw/zinc/31/86/43/171318643.db2.gz BCAGIXSSBAZVAO-NSHDSACASA-N 2 0 213.369 1.140 10 0 BDAERP CC[C@H](C)[C@@H]([NH3+])CN(CC[NH+](C)C)CC(C)C ZINC000042781879 171372268 /nfs/dbraw/zinc/37/22/68/171372268.db2.gz MIFDJGFPGLPQOV-KBPBESRZSA-N 2 0 243.439 1.879 10 0 BDAERP CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000662493897 412194226 /nfs/dbraw/zinc/19/42/26/412194226.db2.gz SXFUDOYHYHOIQB-NWDGAFQWSA-N 2 0 243.395 1.077 10 0 BDAERP C[C@H]([NH2+]CCc1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000665263507 412207668 /nfs/dbraw/zinc/20/76/68/412207668.db2.gz NPEWZSQROQEMNO-WCQYABFASA-N 2 0 222.332 1.800 10 0 BDAERP Cc1[nH+]ccc(NCC23CC(C2)C[NH2+]3)c1Cl ZINC000663275771 412405448 /nfs/dbraw/zinc/40/54/48/412405448.db2.gz PDYIOPPVFKUXHN-UHFFFAOYSA-N 2 0 237.734 1.629 10 0 BDAERP CN(C)C(=O)CC[N@H+](CCC[NH3+])C1CCCC1 ZINC000037897735 172357903 /nfs/dbraw/zinc/35/79/03/172357903.db2.gz SYHQLQCTANTAHX-UHFFFAOYSA-N 2 0 241.379 1.058 10 0 BDAERP C[NH+](C)C1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000036191598 172407360 /nfs/dbraw/zinc/40/73/60/172407360.db2.gz CWNLODXCELMOPY-OAHLLOKOSA-N 2 0 247.386 1.712 10 0 BDAERP C[NH+](C)C1CCN([C@@H](C[NH3+])C2CCCC2)CC1 ZINC000050272196 172407517 /nfs/dbraw/zinc/40/75/17/172407517.db2.gz JLEOUBFDFRFNBK-AWEZNQCLSA-N 2 0 239.407 1.530 10 0 BDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccccc1 ZINC000041239076 172454696 /nfs/dbraw/zinc/45/46/96/172454696.db2.gz MAVUCIUBZKGQEG-CYBMUJFWSA-N 2 0 221.348 1.180 10 0 BDAERP CN(c1ccccc1)[C@@H](CC[NH3+])C[NH+](C)C ZINC000076610981 172490888 /nfs/dbraw/zinc/49/08/88/172490888.db2.gz FFSZNAOMZSMBLC-ZDUSSCGKSA-N 2 0 221.348 1.402 10 0 BDAERP CN(c1ncc(C[NH3+])s1)[C@H]1CCC[N@H+](C)C1 ZINC000054896325 173043589 /nfs/dbraw/zinc/04/35/89/173043589.db2.gz XQBYWFJPXOBQGX-VIFPVBQESA-N 2 0 240.376 1.132 10 0 BDAERP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CC[NH3+])C1 ZINC000082342688 173086793 /nfs/dbraw/zinc/08/67/93/173086793.db2.gz NKHOOAGRABKSIR-CQSZACIVSA-N 2 0 233.359 1.151 10 0 BDAERP CN1CC[N@H+](Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000082342745 173088104 /nfs/dbraw/zinc/08/81/04/173088104.db2.gz QAPSBGJETDAJBS-AWEZNQCLSA-N 2 0 233.359 1.151 10 0 BDAERP C[NH+]1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000023069996 173095080 /nfs/dbraw/zinc/09/50/80/173095080.db2.gz IUYIXXSHWXFJDF-STQMWFEESA-N 2 0 225.380 1.284 10 0 BDAERP C[N@@H+]1CC[C@@H](CN2Cc3cccc(N)c3C2)C1 ZINC000037648103 173112139 /nfs/dbraw/zinc/11/21/39/173112139.db2.gz WCDPHBMOHBAIIR-LLVKDONJSA-N 2 0 231.343 1.536 10 0 BDAERP C[N@@H+]1CC[C@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000061990773 173163704 /nfs/dbraw/zinc/16/37/04/173163704.db2.gz PZKBHHSFSBOXNP-CQSZACIVSA-N 2 0 231.343 1.035 10 0 BDAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@H+](C)C1CC1 ZINC000062011477 173323753 /nfs/dbraw/zinc/32/37/53/173323753.db2.gz PJABJARRKAZLFQ-QXMXGUDHSA-N 2 0 237.391 1.295 10 0 BDAERP C[NH2+]CC[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935502 173358203 /nfs/dbraw/zinc/35/82/03/173358203.db2.gz OJMKBYUAUNTPRQ-QWRGUYRKSA-N 2 0 200.326 1.095 10 0 BDAERP C[NH2+]C[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000042335293 173367696 /nfs/dbraw/zinc/36/76/96/173367696.db2.gz IJOUMZDPQZHSKE-NSHDSACASA-N 2 0 228.405 1.813 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377131 173372047 /nfs/dbraw/zinc/37/20/47/173372047.db2.gz MVASCHLWCMHDST-QWHCGFSZSA-N 2 0 226.364 1.485 10 0 BDAERP C[NH2+]C[C@@]1(C[N@H+](C)C[C@@H]2C[C@@H]2C)CCCOC1 ZINC000104408439 173373101 /nfs/dbraw/zinc/37/31/01/173373101.db2.gz LOKYEQMUJUATNM-MELADBBJSA-N 2 0 240.391 1.590 10 0 BDAERP C[NH2+]C[C@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000049333946 173378849 /nfs/dbraw/zinc/37/88/49/173378849.db2.gz ABDOFVIUJQWJHW-CQSZACIVSA-N 3 0 239.407 1.404 10 0 BDAERP C[NH2+]C[C@H]1CCC[N@H+](CCn2ccnc2C)C1 ZINC000049331254 173379119 /nfs/dbraw/zinc/37/91/19/173379119.db2.gz NCOMARBTTCFPTQ-CYBMUJFWSA-N 2 0 236.363 1.123 10 0 BDAERP C[NH2+]C[C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011891997 173382040 /nfs/dbraw/zinc/38/20/40/173382040.db2.gz RLHAAZKRZKXLJJ-CYBMUJFWSA-N 2 0 236.334 1.910 10 0 BDAERP C[NH2+]C[C@]1(C[NH+]2CCC(C)CC2)CCOC1 ZINC000051207915 173384050 /nfs/dbraw/zinc/38/40/50/173384050.db2.gz VEGLXKQUDZPAQR-ZDUSSCGKSA-N 2 0 226.364 1.344 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCCSCC1 ZINC000052371027 173391508 /nfs/dbraw/zinc/39/15/08/173391508.db2.gz QKBSTGGCVVSMQI-UHFFFAOYSA-N 2 0 240.372 1.938 10 0 BDAERP C[NH2+]Cc1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899089 173392416 /nfs/dbraw/zinc/39/24/16/173392416.db2.gz FPNMOINDYVHPKE-UHFFFAOYSA-N 2 0 240.376 1.004 10 0 BDAERP C[NH2+]Cc1coc(C[NH+]2CCCCC2)c1 ZINC000052421249 173393596 /nfs/dbraw/zinc/39/35/96/173393596.db2.gz QOCQJRODXHDGTJ-UHFFFAOYSA-N 2 0 208.305 1.985 10 0 BDAERP COC1CC[NH+](CC2([NH3+])CCCC2)CC1 ZINC000037479618 174027600 /nfs/dbraw/zinc/02/76/00/174027600.db2.gz OTOZZEFRHVIKHY-UHFFFAOYSA-N 2 0 212.337 1.369 10 0 BDAERP COCC[N@H+](Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000042517588 174299598 /nfs/dbraw/zinc/29/95/98/174299598.db2.gz MNHGPURKCBVOJJ-UHFFFAOYSA-N 2 0 234.343 1.756 10 0 BDAERP COCC[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000045035344 174385773 /nfs/dbraw/zinc/38/57/73/174385773.db2.gz HDVBGSWPZDCKKK-CHWSQXEVSA-N 2 0 230.396 1.977 10 0 BDAERP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051694406 174740252 /nfs/dbraw/zinc/74/02/52/174740252.db2.gz NMCVDUOXBDSISP-IFWUJCSASA-N 2 0 226.364 1.804 10 0 BDAERP COc1ccc(C[N@H+](C)C[C@H](C)C[NH3+])cc1F ZINC000042455877 175095556 /nfs/dbraw/zinc/09/55/56/175095556.db2.gz XDJFLAWAYOKYLK-SNVBAGLBSA-N 2 0 240.322 1.861 10 0 BDAERP COc1ccc([C@@H](C)[NH3+])cc1C[NH+](C)C ZINC000020080863 175176375 /nfs/dbraw/zinc/17/63/75/175176375.db2.gz PNSLIBATBALTLC-SECBINFHSA-N 2 0 208.305 1.777 10 0 BDAERP COc1ccc([C@@H](C[NH3+])CC[NH+](C)C)cc1 ZINC000041241370 175178399 /nfs/dbraw/zinc/17/83/99/175178399.db2.gz FTAVBABNUPOOPF-GFCCVEGCSA-N 2 0 222.332 1.689 10 0 BDAERP CSC(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000229088253 175442963 /nfs/dbraw/zinc/44/29/63/175442963.db2.gz RDUSOBAKXIAYQO-UHFFFAOYSA-N 2 0 216.394 1.988 10 0 BDAERP C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256820 176017175 /nfs/dbraw/zinc/01/71/75/176017175.db2.gz CAIDLIRCOKEFOF-QWRGUYRKSA-N 2 0 207.321 1.746 10 0 BDAERP C[C@@H]1CCCCN1C1(C[NH3+])CC[NH+](C)CC1 ZINC000019482418 176069729 /nfs/dbraw/zinc/06/97/29/176069729.db2.gz QJVDBKMTGANEHE-GFCCVEGCSA-N 2 0 225.380 1.284 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCCO ZINC000048695461 176071205 /nfs/dbraw/zinc/07/12/05/176071205.db2.gz QWSLYFQFLKGPIQ-GFCCVEGCSA-N 2 0 214.353 1.223 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1Cc1cccnc1C[NH3+] ZINC000061656411 176074352 /nfs/dbraw/zinc/07/43/52/176074352.db2.gz FDOGCIBGKMIUKL-LLVKDONJSA-N 2 0 219.332 1.915 10 0 BDAERP C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037910039 176108696 /nfs/dbraw/zinc/10/86/96/176108696.db2.gz NUHGJMUAYVZTQE-LLVKDONJSA-N 2 0 247.342 1.568 10 0 BDAERP C[C@@H]1CCC[N@@H+]1[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037910609 176110297 /nfs/dbraw/zinc/11/02/97/176110297.db2.gz QHXAJOPZXATHCZ-GRYCIOLGSA-N 2 0 240.347 1.094 10 0 BDAERP C[C@@H]1CC[NH+](CC2CCOCC2)CC[C@@H](C)[NH2+]1 ZINC000104188322 176168189 /nfs/dbraw/zinc/16/81/89/176168189.db2.gz ZJDFWVWKCVIXBB-CHWSQXEVSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCN1C ZINC000104351608 176288522 /nfs/dbraw/zinc/28/85/22/176288522.db2.gz KLMODVVHPZWDDF-CYBMUJFWSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](Cc2ccncc2)C1 ZINC000049666626 176328863 /nfs/dbraw/zinc/32/88/63/176328863.db2.gz SMDSWWCRVNJVQB-CHWSQXEVSA-N 2 0 233.359 1.759 10 0 BDAERP C[C@H](Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000062184773 176724559 /nfs/dbraw/zinc/72/45/59/176724559.db2.gz WEXOWAKNZAMGIC-GFCCVEGCSA-N 2 0 218.344 1.959 10 0 BDAERP C[C@H]([NH2+]CCN(C)CC[NH+]1CCCC1)C1CC1 ZINC000063054357 176847394 /nfs/dbraw/zinc/84/73/94/176847394.db2.gz AJCUVNJBSJEGQA-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCC[NH+]1CC[C@H](CO)C1 ZINC000049474384 177074750 /nfs/dbraw/zinc/07/47/50/177074750.db2.gz USNLPSRFNIQQTD-KBPBESRZSA-N 2 0 240.391 1.565 10 0 BDAERP C[C@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](C)CC1 ZINC000019435311 177090538 /nfs/dbraw/zinc/09/05/38/177090538.db2.gz FAZWFZCWQAGAJL-QWHCGFSZSA-N 2 0 225.380 1.141 10 0 BDAERP C[C@H]1CC[N@@H+](C2CCOCC2)CCC[NH2+]1 ZINC000049666366 177157074 /nfs/dbraw/zinc/15/70/74/177157074.db2.gz IGJNGTFSWGDKFP-NSHDSACASA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]1CCN(C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000049666477 177162680 /nfs/dbraw/zinc/16/26/80/177162680.db2.gz GVICWVDNKZFEIQ-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1C[NH+](CCCCCC[NH3+])C[C@H](C)O1 ZINC000020071752 177247404 /nfs/dbraw/zinc/24/74/04/177247404.db2.gz IVZFQBOMOAPJIM-RYUDHWBXSA-N 2 0 214.353 1.615 10 0 BDAERP C[C@H]1C[NH2+]CCN1CC[C@@H]1CCCC[N@@H+]1C ZINC000054373258 177284160 /nfs/dbraw/zinc/28/41/60/177284160.db2.gz WWYZOYHZIMOMBB-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CCc2ccco2)C1 ZINC000049667387 177285394 /nfs/dbraw/zinc/28/53/94/177285394.db2.gz YXTFDZYKZZORGC-BETUJISGSA-N 2 0 236.359 2.000 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCc2ccncc2)C1 ZINC000049666821 177285627 /nfs/dbraw/zinc/28/56/27/177285627.db2.gz NMYNZILLPNQADY-KBPBESRZSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@H]1CSC(N[C@@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000040715979 177303325 /nfs/dbraw/zinc/30/33/25/177303325.db2.gz JSPSGHVKGQGLOJ-DTWKUNHWSA-N 2 0 213.350 1.162 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CC[NH+](C)C1 ZINC000037646709 177370580 /nfs/dbraw/zinc/37/05/80/177370580.db2.gz GHVQRJOPFQJKEL-RFGFWPKPSA-N 2 0 239.407 1.256 10 0 BDAERP C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000400334364 225008362 /nfs/dbraw/zinc/00/83/62/225008362.db2.gz GYHMJWYROYAQAT-HZSPNIEDSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400334854 226340944 /nfs/dbraw/zinc/34/09/44/226340944.db2.gz FQWSERZPJKDPBH-AEGPPILISA-N 2 0 248.370 1.178 10 0 BDAERP COCC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400377287 226342110 /nfs/dbraw/zinc/34/21/10/226342110.db2.gz JBJDSSUPCDIZJQ-NWDGAFQWSA-N 2 0 226.364 1.391 10 0 BDAERP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400591919 226347685 /nfs/dbraw/zinc/34/76/85/226347685.db2.gz UOOYVGNVOUEOQJ-QWHCGFSZSA-N 2 0 225.380 1.060 10 0 BDAERP Cn1cncc1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000314898620 487670216 /nfs/dbraw/zinc/67/02/16/487670216.db2.gz NCYHVXMNLDCDRG-YUTCNCBUSA-N 2 0 248.374 1.022 10 0 BDAERP C[N@@H+]1CCC[C@H]2C[NH+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289361 487709192 /nfs/dbraw/zinc/70/91/92/487709192.db2.gz SUSDEALAKFKBDK-IGQOVBAYSA-N 2 0 238.375 1.316 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000562958362 323035261 /nfs/dbraw/zinc/03/52/61/323035261.db2.gz CGUJUMQQLUUZJC-FVCCEPFGSA-N 2 0 240.391 1.778 10 0 BDAERP Cc1ncsc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000391189425 323099641 /nfs/dbraw/zinc/09/96/41/323099641.db2.gz NGOUTIGMWOUFEM-LLVKDONJSA-N 2 0 239.388 1.726 10 0 BDAERP COc1ccncc1CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566732299 326077572 /nfs/dbraw/zinc/07/75/72/326077572.db2.gz WWOPZIQZEOKJRI-NWDGAFQWSA-N 2 0 249.358 1.568 10 0 BDAERP CCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000568987922 326385051 /nfs/dbraw/zinc/38/50/51/326385051.db2.gz VMCTVHISNYISMX-GHMZBOCLSA-N 2 0 200.326 1.001 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]12 ZINC000662266565 490042969 /nfs/dbraw/zinc/04/29/69/490042969.db2.gz NCDSOUXRSLDINL-GWOFURMSSA-N 2 0 246.301 1.080 10 0 BDAERP C[NH2+][C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000054076156 488206020 /nfs/dbraw/zinc/20/60/20/488206020.db2.gz HBYDNOYEHUIGGT-YPMHNXCESA-N 2 0 249.358 1.013 10 0 BDAERP C[C@H]([NH2+][C@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000560943270 491130822 /nfs/dbraw/zinc/13/08/22/491130822.db2.gz JANAIXYJPGLAMA-AXFHLTTASA-N 2 0 214.378 1.470 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757138598 582518113 /nfs/dbraw/zinc/51/81/13/582518113.db2.gz CPIOTGKNFWAKIH-VXGBXAGGSA-N 2 0 224.348 1.587 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757138723 582518493 /nfs/dbraw/zinc/51/84/93/582518493.db2.gz DFDXIDWDRACKCA-RYUDHWBXSA-N 2 0 224.348 1.587 10 0 BDAERP C[C@@H]1CCC[C@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757145815 582528767 /nfs/dbraw/zinc/52/87/67/582528767.db2.gz ITJSANHGQJKLOV-PWSUYJOCSA-N 2 0 210.321 1.245 10 0 BDAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H](c2ccc(C=O)s2)C1 ZINC000757213023 582561137 /nfs/dbraw/zinc/56/11/37/582561137.db2.gz KSEURASCQFOBJR-BDAKNGLRSA-N 2 0 224.329 1.212 10 0 BDAERP C[C@H](NCC1([NH+](C)C)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400347427 533833629 /nfs/dbraw/zinc/83/36/29/533833629.db2.gz LAAGATNRUQTRIT-QWHCGFSZSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000400569842 533864127 /nfs/dbraw/zinc/86/41/27/533864127.db2.gz NJXUVEUAZMVXFS-AVGNSLFASA-N 2 0 226.364 1.533 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000306708200 527820800 /nfs/dbraw/zinc/82/08/00/527820800.db2.gz SNDIWFIHFNNRCZ-GUBZILKMSA-N 2 0 214.378 1.597 10 0 BDAERP CC[NH+](CC)CCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400383878 528111808 /nfs/dbraw/zinc/11/18/08/528111808.db2.gz LGKQJQKLRRWBEC-STQMWFEESA-N 2 0 227.396 1.306 10 0 BDAERP CCCCOCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400402365 528610526 /nfs/dbraw/zinc/61/05/26/528610526.db2.gz QPRSCIAOSCXQGS-NWDGAFQWSA-N 2 0 214.353 1.391 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400335876 529092609 /nfs/dbraw/zinc/09/26/09/529092609.db2.gz ABUVVNMSMIYJJS-AGIUHOORSA-N 2 0 225.380 1.201 10 0 BDAERP CCC[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000020370412 534937073 /nfs/dbraw/zinc/93/70/73/534937073.db2.gz SXUCDQKGXLVTPA-UHFFFAOYSA-N 2 0 220.320 1.196 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757128257 582503312 /nfs/dbraw/zinc/50/33/12/582503312.db2.gz JWMQKBGFOKQSFE-HZSPNIEDSA-N 2 0 240.391 1.875 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757128265 582503457 /nfs/dbraw/zinc/50/34/57/582503457.db2.gz JWMQKBGFOKQSFE-RDBSUJKOSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1CC[C@]2(CCCN2CCC[NH+](C)C)C[NH2+]1 ZINC000757134044 582510164 /nfs/dbraw/zinc/51/01/64/582510164.db2.gz VUMAWTKOJCVXOD-ZIAGYGMSSA-N 2 0 239.407 1.545 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757134150 582510181 /nfs/dbraw/zinc/51/01/81/582510181.db2.gz KQHHRJIHZVBRSZ-VXGBXAGGSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@@H]1C[NH2+]C[C@]2(CCCN2CCC[NH+](C)C)C1 ZINC000757134960 582512851 /nfs/dbraw/zinc/51/28/51/582512851.db2.gz XNMNNMPUOMILEB-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP C1CC1[NH+]1CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757143130 582522981 /nfs/dbraw/zinc/52/29/81/582522981.db2.gz MEGQNEQCMIZOJN-YPMHNXCESA-N 2 0 236.359 1.729 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757143771 582524103 /nfs/dbraw/zinc/52/41/03/582524103.db2.gz FHIJTIQPWQTGND-GFCCVEGCSA-N 2 0 212.337 1.587 10 0 BDAERP Cc1cn2c([nH+]1)NCC[C@@H]2[C@@H]1CCC[NH2+]C1 ZINC000236045307 582637847 /nfs/dbraw/zinc/63/78/47/582637847.db2.gz IQBYMUBGHCBRCK-GHMZBOCLSA-N 2 0 220.320 1.548 10 0 BDAERP CC(C)C[NH+]1CCN([C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396623667 583086901 /nfs/dbraw/zinc/08/69/01/583086901.db2.gz DECHGTWSZKLZLO-KGLIPLIRSA-N 2 0 239.407 1.401 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000223018005 583179712 /nfs/dbraw/zinc/17/97/12/583179712.db2.gz XWURPFUTZWATFR-NQBHXWOUSA-N 2 0 232.327 1.980 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C[NH3+])cc1 ZINC000757209363 586436925 /nfs/dbraw/zinc/43/69/25/586436925.db2.gz DTOFEVSJIPNLEM-MFKMUULPSA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1C[C@H](c2ccc(C[NH3+])cc2)NC[C@H]1[NH3+] ZINC000757206618 586437245 /nfs/dbraw/zinc/43/72/45/586437245.db2.gz AFUKMPHIORNNIF-OASPWFOLSA-N 3 0 219.332 1.143 10 0 BDAERP CC(C)C[NH+]1CCC2(CCO[C@@H]2C[NH3+])CC1 ZINC000757208125 586437682 /nfs/dbraw/zinc/43/76/82/586437682.db2.gz FMXQYRPQHGJYFI-GFCCVEGCSA-N 2 0 226.364 1.472 10 0 BDAERP c1cc2c(c([C@@H]3CCC[NH2+]C3)c1)CC[NH2+]C2 ZINC000757207746 586438055 /nfs/dbraw/zinc/43/80/55/586438055.db2.gz BRUPHRRRXWZSGS-GFCCVEGCSA-N 2 0 216.328 1.799 10 0 BDAERP c1cc2c(c([C@H]3CCC[NH2+]C3)c1)CC[NH2+]C2 ZINC000757207751 586438058 /nfs/dbraw/zinc/43/80/58/586438058.db2.gz BRUPHRRRXWZSGS-LBPRGKRZSA-N 2 0 216.328 1.799 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cccc(N)c2)[NH2+]1 ZINC000757210026 586438595 /nfs/dbraw/zinc/43/85/95/586438595.db2.gz DTMPPWAYWWQFMY-DJBIQUGXSA-N 2 0 233.359 1.903 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757210881 586438747 /nfs/dbraw/zinc/43/87/47/586438747.db2.gz HMRPGDSMKINLJG-JLUCKKNBSA-N 3 0 247.386 1.779 10 0 BDAERP CC(=O)c1cccc([C@@H]2CC[C@H](C[NH3+])C[NH2+]2)c1 ZINC000757212319 586439574 /nfs/dbraw/zinc/43/95/74/586439574.db2.gz IBLUUUWRPNVNOQ-RISCZKNCSA-N 2 0 232.327 1.889 10 0 BDAERP Nc1cccc([C@@H]2C[C@@H](C[NH3+])CC[NH2+]2)c1 ZINC000757217495 586441563 /nfs/dbraw/zinc/44/15/63/586441563.db2.gz RVZZDQONFAEVFE-CABZTGNLSA-N 2 0 205.305 1.268 10 0 BDAERP CC(=O)c1cccc([C@@H]2C[NH2+]CC[C@@H]2[NH3+])c1 ZINC000757219049 586442085 /nfs/dbraw/zinc/44/20/85/586442085.db2.gz XSZUJEUUVVCCQC-STQMWFEESA-N 2 0 218.300 1.293 10 0 BDAERP [NH3+]C[C@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757219959 586442354 /nfs/dbraw/zinc/44/23/54/586442354.db2.gz ZLXJTMVYHDJBKB-AAEUAGOBSA-N 2 0 218.300 1.151 10 0 BDAERP C[C@@H]1CCN[C@H](c2cccc(C[NH3+])c2)[C@@H]1[NH3+] ZINC000757220253 586442433 /nfs/dbraw/zinc/44/24/33/586442433.db2.gz XPNMWCXEYJNJLV-OASPWFOLSA-N 2 0 219.332 1.143 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440520 631577870 /nfs/dbraw/zinc/57/78/70/631577870.db2.gz XIMSNBVORXDHLI-HZSPNIEDSA-N 2 0 237.391 1.012 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)CCC[NH2+]C1CC1 ZINC000092628048 634193154 /nfs/dbraw/zinc/19/31/54/634193154.db2.gz PLHHUIXZFSFJKO-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000052420749 644536848 /nfs/dbraw/zinc/53/68/48/644536848.db2.gz CXHNMZRYKUNOSZ-RVMXOQNASA-N 2 0 226.364 1.471 10 0 BDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCO1 ZINC000250427764 644757948 /nfs/dbraw/zinc/75/79/48/644757948.db2.gz QIYPIIQYQCYPKW-GRYCIOLGSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1C[NH3+] ZINC000714321643 712482048 /nfs/dbraw/zinc/48/20/48/712482048.db2.gz VQDHJQSIGJEILB-AGIUHOORSA-N 2 0 240.391 1.861 10 0 BDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000714628245 712493529 /nfs/dbraw/zinc/49/35/29/712493529.db2.gz YLBCRCOQJDCTCG-IJLUTSLNSA-N 2 0 212.337 1.143 10 0 BDAERP CO[C@H]1C[C@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000714639958 712494741 /nfs/dbraw/zinc/49/47/41/712494741.db2.gz JXSCNSVDUKJACO-FDYHWXHSSA-N 2 0 226.364 1.389 10 0 BDAERP Cc1cnc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000724034384 711557142 /nfs/dbraw/zinc/55/71/42/711557142.db2.gz PCIHITCHMNOIKN-STQMWFEESA-N 2 0 233.359 1.915 10 0 BDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1)[NH2+]2 ZINC000709282379 712219069 /nfs/dbraw/zinc/21/90/69/712219069.db2.gz BSUKLVOXDUDDJS-WNWFYDSVSA-N 2 0 238.375 1.409 10 0 BDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CSC1(C)C)[NH2+]2 ZINC000709344542 712220206 /nfs/dbraw/zinc/22/02/06/712220206.db2.gz JSQDOAPTQVFSOY-LVEVGFFFSA-N 2 0 240.416 1.999 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@H]1CCC[NH2+]C1 ZINC000711034866 712275625 /nfs/dbraw/zinc/27/56/25/712275625.db2.gz OARQDVPNIDNBNF-AVGNSLFASA-N 2 0 224.348 1.657 10 0 BDAERP C[C@H]([NH2+]C[C@H]1C=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000711758197 712324305 /nfs/dbraw/zinc/32/43/05/712324305.db2.gz GLAPYRQRQWPAOT-RWMBFGLXSA-N 2 0 208.349 1.930 10 0 BDAERP CCc1nc(C)cc(N(C)C[C@@H](C)[NH3+])n1 ZINC000379780016 712398874 /nfs/dbraw/zinc/39/88/74/712398874.db2.gz KNGNGDYZNJGHBF-MRVPVSSYSA-N 2 0 208.309 1.131 10 0 BDAERP Cc1cc(NC[C@@H]2C[NH2+]CCC2(F)F)cc[nH+]1 ZINC000717015817 712604653 /nfs/dbraw/zinc/60/46/53/712604653.db2.gz BVFQOXIECGPWFB-JTQLQIEISA-N 2 0 241.285 1.469 10 0 BDAERP CCC[N@H+](C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037469623 712642554 /nfs/dbraw/zinc/64/25/54/712642554.db2.gz KDPQPLCFQOMGRH-CYBMUJFWSA-N 2 0 226.364 1.629 10 0 BDAERP Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720606309 712857764 /nfs/dbraw/zinc/85/77/64/712857764.db2.gz MZWQFLQKQJIRDJ-ZANVPECISA-N 2 0 234.347 1.120 10 0 BDAERP CC[NH+](CC)C1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000395221185 722000129 /nfs/dbraw/zinc/00/01/29/722000129.db2.gz LXPZXWLXVIOIEJ-UHFFFAOYSA-N 2 0 248.374 1.974 10 0 BDAERP CCC(CC)(C[NH3+])CN(C)CC[NH+]1CCCC1 ZINC000063053568 168322961 /nfs/dbraw/zinc/32/29/61/168322961.db2.gz KPITUJLFQBWLEP-UHFFFAOYSA-N 2 0 241.423 1.779 10 0 BDAERP C[NH+](C)[C@H]1CCN(CC[NH2+]Cc2ccccc2)C1 ZINC000062974068 187323543 /nfs/dbraw/zinc/32/35/43/187323543.db2.gz RZFGIGRQLKBDSS-HNNXBMFYSA-N 2 0 247.386 1.412 10 0 BDAERP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc(C)c1O ZINC000050245166 178000472 /nfs/dbraw/zinc/00/04/72/178000472.db2.gz PNZUWZZVIDITOB-LBPRGKRZSA-N 2 0 234.343 1.790 10 0 BDAERP Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)cc[nH+]1 ZINC000274648771 178169210 /nfs/dbraw/zinc/16/92/10/178169210.db2.gz GVRBEZWYQPBAOS-AWEZNQCLSA-N 2 0 249.358 1.649 10 0 BDAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCSCC2 ZINC000606283144 538929446 /nfs/dbraw/zinc/92/94/46/538929446.db2.gz VTGYVMGKESWHBC-SNVBAGLBSA-N 2 0 214.378 1.694 10 0 BDAERP CCC(CC)N(CCOC)C[C@H](C)[NH2+]C ZINC000044472544 168374376 /nfs/dbraw/zinc/37/43/76/168374376.db2.gz KCIAYPBJIAUTRK-NSHDSACASA-N 2 0 216.369 1.731 10 0 BDAERP CCC(CC)[N@H+](CCOC)C[C@@H]1C[NH2+]C[C@@H]1C ZINC000104216426 168373387 /nfs/dbraw/zinc/37/33/87/168373387.db2.gz GJYXXJMCRTWHSF-STQMWFEESA-N 2 0 242.407 1.979 10 0 BDAERP C[C@H](C[NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000035725405 342757043 /nfs/dbraw/zinc/75/70/43/342757043.db2.gz DQRHELKKLRFKSM-SECBINFHSA-N 2 0 210.346 1.701 10 0 BDAERP COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631838660 398285711 /nfs/dbraw/zinc/28/57/11/398285711.db2.gz SKNUIMHOZGJYME-YPMHNXCESA-N 2 0 234.343 1.722 10 0 BDAERP CC[N@H+]1C[C@H](Nc2cc[nH+]c(C)c2)[C@@H](C)C1 ZINC000381318011 538998193 /nfs/dbraw/zinc/99/81/93/538998193.db2.gz NUAMATFJSQPEQE-GWCFXTLKSA-N 2 0 219.332 1.564 10 0 BDAERP [NH3+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000212726972 539027731 /nfs/dbraw/zinc/02/77/31/539027731.db2.gz DVYMZSUMQKZFGP-ZYHUDNBSSA-N 2 0 204.273 1.201 10 0 BDAERP C(C[N@@H+]1CCCSCC1)[C@@H]1CCC[NH2+]1 ZINC000042444900 362000743 /nfs/dbraw/zinc/00/07/43/362000743.db2.gz OKXNHIXMGLUKDZ-NSHDSACASA-N 2 0 214.378 1.567 10 0 BDAERP C[C@@H]1C[NH+]=C(NCC(C)(C)[NH+](C)C)S1 ZINC000043412004 343066575 /nfs/dbraw/zinc/06/65/75/343066575.db2.gz QVAOSKFCESIBPE-MRVPVSSYSA-N 2 0 215.366 1.408 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000562957169 323035121 /nfs/dbraw/zinc/03/51/21/323035121.db2.gz SHZHLUBXNCDHKN-WCFLWFBJSA-N 2 0 226.364 1.125 10 0 BDAERP C[C@H]([NH3+])c1cccc(N2CC[NH+](C)CC2)c1 ZINC000138861499 343250043 /nfs/dbraw/zinc/25/00/43/343250043.db2.gz QKFVACDIXNXKJS-NSHDSACASA-N 2 0 219.332 1.458 10 0 BDAERP COCC[NH+](CCOC)[C@H]1CCCC[C@H]1C[NH3+] ZINC000036199176 187259413 /nfs/dbraw/zinc/25/94/13/187259413.db2.gz UCTNGFFUORETFA-STQMWFEESA-N 2 0 244.379 1.099 10 0 BDAERP Fc1cccc(CNC[C@@H]2CC[NH2+]C2)c1F ZINC000398381714 488216324 /nfs/dbraw/zinc/21/63/24/488216324.db2.gz UUNHMOAVVKQEPN-SECBINFHSA-N 2 0 226.270 1.664 10 0 BDAERP CC(C)[N@H+](CC(N)=O)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042428600 187265476 /nfs/dbraw/zinc/26/54/76/187265476.db2.gz GIAOHIQJFJLJAB-VXGBXAGGSA-N 2 0 241.379 1.090 10 0 BDAERP CC(C)[N@H+](CCO)Cc1ccc(C[NH3+])cc1F ZINC000042478550 187265548 /nfs/dbraw/zinc/26/55/48/187265548.db2.gz FLORRVZYJHDNHD-UHFFFAOYSA-N 2 0 240.322 1.487 10 0 BDAERP C[NH2+]Cc1ccccc1C[N@H+](C)[C@H](C)COC ZINC000052511942 187270906 /nfs/dbraw/zinc/27/09/06/187270906.db2.gz HEEHBZMOFRBSLZ-GFCCVEGCSA-N 2 0 236.359 1.873 10 0 BDAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C[Si](C)(C)C ZINC000401837783 343733742 /nfs/dbraw/zinc/73/37/42/343733742.db2.gz FSRRWKNZONWOPL-UWVGGRQHSA-N 2 0 200.402 1.675 10 0 BDAERP C[NH2+]Cc1ccc(N(C)[C@H]2CCC[N@H+](C)C2)nc1 ZINC000053249084 187272170 /nfs/dbraw/zinc/27/21/70/187272170.db2.gz QEERCTSCJLBMMA-ZDUSSCGKSA-N 2 0 248.374 1.331 10 0 BDAERP CC(C)[NH+]1CCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054135052 187272374 /nfs/dbraw/zinc/27/23/74/187272374.db2.gz VMUIXXRAGFONRZ-CYBMUJFWSA-N 2 0 225.380 1.155 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427989 343802476 /nfs/dbraw/zinc/80/24/76/343802476.db2.gz LNEXUDFHYZDEGV-VHSXEESVSA-N 2 0 218.291 1.702 10 0 BDAERP [NH3+]C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000044528011 343781494 /nfs/dbraw/zinc/78/14/94/343781494.db2.gz OXMDQHSBSBQRPV-LBPRGKRZSA-N 2 0 230.355 1.825 10 0 BDAERP COC[C@]12C[N@H+](CCC[NH3+])C[C@@H]1CCCC2 ZINC000409435569 343834336 /nfs/dbraw/zinc/83/43/36/343834336.db2.gz VLJFTZXUAKUAJC-STQMWFEESA-N 2 0 226.364 1.474 10 0 BDAERP CCC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409436405 343839443 /nfs/dbraw/zinc/83/94/43/343839443.db2.gz ZPSDJSYCRWWVGS-YPMHNXCESA-N 2 0 226.364 1.221 10 0 BDAERP C1CC[C@@H]2COCC[N@H+](C3CC[NH2+]CC3)[C@@H]2C1 ZINC000409435864 343839834 /nfs/dbraw/zinc/83/98/34/343839834.db2.gz WZNDWOSRBJCHED-TZMCWYRMSA-N 2 0 238.375 1.629 10 0 BDAERP C1CC[C@H]2[C@H](C1)COCC[N@@H+]2C1CC[NH2+]CC1 ZINC000409435863 343839946 /nfs/dbraw/zinc/83/99/46/343839946.db2.gz WZNDWOSRBJCHED-OCCSQVGLSA-N 2 0 238.375 1.629 10 0 BDAERP CCOC[C@@H]1C[N@H+](CCC[NH3+])CC12CCC2 ZINC000409435872 343840005 /nfs/dbraw/zinc/84/00/05/343840005.db2.gz XAKOBKNJORRMEA-LBPRGKRZSA-N 2 0 226.364 1.474 10 0 BDAERP C[C@H]1C[C@@H](N)C[N@H+](C[Si](C)(C)C)C1 ZINC000401868962 343917174 /nfs/dbraw/zinc/91/71/74/343917174.db2.gz VBSWPIJILSGIHJ-VHSXEESVSA-N 2 0 200.402 1.533 10 0 BDAERP Cc1[nH+]ccc(N2C[C@H]([NH3+])C[C@H]2C)c1Cl ZINC000385025956 344300549 /nfs/dbraw/zinc/30/05/49/344300549.db2.gz YUACTZTXMNQLEC-VXNVDRBHSA-N 2 0 225.723 1.969 10 0 BDAERP C[C@@H](c1ccco1)N(C)C[C@H]1CC[NH2+]C1 ZINC000248081814 345035750 /nfs/dbraw/zinc/03/57/50/345035750.db2.gz QETGLPQNBRJOOA-QWRGUYRKSA-N 2 0 208.305 1.882 10 0 BDAERP CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000248253512 345092556 /nfs/dbraw/zinc/09/25/56/345092556.db2.gz NDTHGBXTJCOSAV-LSDHHAIUSA-N 2 0 248.370 1.479 10 0 BDAERP CCC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000635004586 345207742 /nfs/dbraw/zinc/20/77/42/345207742.db2.gz PQYCPOACFDTEDR-RWMBFGLXSA-N 2 0 228.380 1.515 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000134547302 345697811 /nfs/dbraw/zinc/69/78/11/345697811.db2.gz DMLMAZVKVZTTOO-FRRDWIJNSA-N 2 0 226.364 1.628 10 0 BDAERP COc1ccc2c(c1)C=C(C[C@@H]([NH3+])CN)CC2 ZINC000141853481 345856892 /nfs/dbraw/zinc/85/68/92/345856892.db2.gz SIBCVZVOPLLICP-CYBMUJFWSA-N 2 0 232.327 1.701 10 0 BDAERP CC(C)[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC000136927578 345829621 /nfs/dbraw/zinc/82/96/21/345829621.db2.gz JPGVTCZHQVDLFZ-UHFFFAOYSA-N 2 0 226.364 1.628 10 0 BDAERP CSCCC[NH2+]C1CCC([NH3+])CC1 ZINC000051692678 345928462 /nfs/dbraw/zinc/92/84/62/345928462.db2.gz WYVZMCNTOGDCIG-UHFFFAOYSA-N 2 0 202.367 1.599 10 0 BDAERP CC(C)[C@@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310502329 187312678 /nfs/dbraw/zinc/31/26/78/187312678.db2.gz JOOYNJORTYYOJM-KBPBESRZSA-N 2 0 240.391 1.421 10 0 BDAERP C/C(=C/Cl)CN1CCC[C@H]([NH3+])[C@H]1C ZINC000381765888 346025568 /nfs/dbraw/zinc/02/55/68/346025568.db2.gz PFDXUTDXUYUUPD-VCNAMUQVSA-N 2 0 202.729 1.941 10 0 BDAERP C[C@@H](C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377555 537964876 /nfs/dbraw/zinc/96/48/76/537964876.db2.gz TUWYQMGBNOMHNA-GXTWGEPZSA-N 2 0 234.343 1.218 10 0 BDAERP Cc1ccccc1[C@@H]([NH3+])CN1CC[N@H+](C)[C@H](C)C1 ZINC000104125921 179324694 /nfs/dbraw/zinc/32/46/94/179324694.db2.gz CVNBANOWILHFHP-HIFRSBDPSA-N 2 0 247.386 1.631 10 0 BDAERP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000302409591 350087151 /nfs/dbraw/zinc/08/71/51/350087151.db2.gz PKHHFZFDCXZAAV-AAEUAGOBSA-N 2 0 240.391 1.467 10 0 BDAERP Cc1[nH+]c2c(n1CC[C@@H](C)[NH3+])CCCC2 ZINC000076095355 180072412 /nfs/dbraw/zinc/07/24/12/180072412.db2.gz JZZQVFLWXHYNFT-SECBINFHSA-N 2 0 207.321 1.808 10 0 BDAERP [NH3+]C[C@H]1CCCC[C@H]1Nc1ncnc2[nH]ccc21 ZINC000420189332 192172622 /nfs/dbraw/zinc/17/26/22/192172622.db2.gz DLQSMVQLVNXJLJ-MWLCHTKSSA-N 2 0 245.330 1.887 10 0 BDAERP Cc1ncn(C[C@H]([NH3+])c2ccco2)c1C ZINC000040544028 180287906 /nfs/dbraw/zinc/28/79/06/180287906.db2.gz PUTWFFZOMGPWIX-JTQLQIEISA-N 2 0 205.261 1.793 10 0 BDAERP C[C@H]1C[N@@H+](C2CCSCC2)CC[C@H]1[NH3+] ZINC000251864481 362971540 /nfs/dbraw/zinc/97/15/40/362971540.db2.gz STQBOCVSJPVVMW-GXSJLCMTSA-N 2 0 214.378 1.551 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1[C@H]1CC[C@H]1C[NH3+] ZINC000251847106 350904517 /nfs/dbraw/zinc/90/45/17/350904517.db2.gz RAJRFBCWWDRINF-UTLUCORTSA-N 2 0 200.351 1.161 10 0 BDAERP CC(C)[C@H](C)N(C)[C@H]1COCC[C@H]1[NH3+] ZINC000252408712 350911417 /nfs/dbraw/zinc/91/14/17/350911417.db2.gz JJSZFWIZHBPKMX-AXFHLTTASA-N 2 0 200.326 1.079 10 0 BDAERP CO[C@H](C)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000252943370 350917261 /nfs/dbraw/zinc/91/72/61/350917261.db2.gz KMGBGAOPMDHDBA-LMLFDSFASA-N 2 0 200.326 1.079 10 0 BDAERP [NH3+]CCOCCC[NH2+]Cc1ccccc1 ZINC000306724914 350892017 /nfs/dbraw/zinc/89/20/17/350892017.db2.gz JNRZKZHLBIODCD-UHFFFAOYSA-N 2 0 208.305 1.142 10 0 BDAERP C[C@H]1C[C@H](NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000306830934 351145501 /nfs/dbraw/zinc/14/55/01/351145501.db2.gz LXXPHOVTEDRCFA-WCQYABFASA-N 2 0 246.358 1.523 10 0 BDAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000386584480 363017380 /nfs/dbraw/zinc/01/73/80/363017380.db2.gz IBSCDKZSCMHITK-RWMBFGLXSA-N 2 0 247.342 1.259 10 0 BDAERP [NH3+]CCN1C[C@H](c2c[nH]cn2)Nc2ccccc21 ZINC000616686163 351256146 /nfs/dbraw/zinc/25/61/46/351256146.db2.gz XUXLHUBDLQAUJW-GFCCVEGCSA-N 2 0 243.314 1.342 10 0 BDAERP C[C@H]1C[NH2+][C@@](C)(C2CC[NH2+]CC2)S1 ZINC000306971384 351392287 /nfs/dbraw/zinc/39/22/87/351392287.db2.gz SCRNPCWWCUKXLO-WCBMZHEXSA-N 2 0 200.351 1.427 10 0 BDAERP C[NH2+]C[C@H](O)CC[N@H+](C)Cc1ccccc1 ZINC000307030674 351431697 /nfs/dbraw/zinc/43/16/97/351431697.db2.gz DSSHOVACAIPXKD-CYBMUJFWSA-N 2 0 222.332 1.089 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000307129207 351492716 /nfs/dbraw/zinc/49/27/16/351492716.db2.gz XTHHKPAVAZIKJY-ZCFIWIBFSA-N 2 0 220.103 1.737 10 0 BDAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1C1CSC1 ZINC000307131046 351494940 /nfs/dbraw/zinc/49/49/40/351494940.db2.gz SPRPYGDTPGOQDZ-DTWKUNHWSA-N 2 0 200.351 1.161 10 0 BDAERP C/C(=C/Cl)CN1CCCC[C@@H]1C[NH3+] ZINC000232004811 351507298 /nfs/dbraw/zinc/50/72/98/351507298.db2.gz WZXQPJWYQRGATC-ABRRARGCSA-N 2 0 202.729 1.942 10 0 BDAERP COCCC[NH2+]C[C@H]1C[NH2+]CC12CCC2 ZINC000725269335 538101743 /nfs/dbraw/zinc/10/17/43/538101743.db2.gz RLONJQBEJCGNBL-NSHDSACASA-N 2 0 212.337 1.002 10 0 BDAERP CCCC[N@H+](CCO)C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725271086 538103203 /nfs/dbraw/zinc/10/32/03/538103203.db2.gz XCOHKWBKOZNRTM-MOKVOYLWSA-N 2 0 240.391 1.741 10 0 BDAERP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1[C@@H]1CCCSC1 ZINC000307384545 352511841 /nfs/dbraw/zinc/51/18/41/352511841.db2.gz JBJRVOKKDAHCRY-GMTAPVOTSA-N 2 0 214.378 1.694 10 0 BDAERP C[C@@H]1[C@H](N2CC([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000307395350 352569646 /nfs/dbraw/zinc/56/96/46/352569646.db2.gz NOZBBXBXWBRWNJ-IUODEOHRSA-N 2 0 245.370 1.292 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@H]([NH3+])C1 ZINC000307587568 352661935 /nfs/dbraw/zinc/66/19/35/352661935.db2.gz UNPIRRPEEONHLY-YIZRAAEISA-N 2 0 200.351 1.350 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)nc1 ZINC000306783238 353037783 /nfs/dbraw/zinc/03/77/83/353037783.db2.gz RCHQIGYXJIEKHD-SSDOTTSWSA-N 2 0 230.109 1.193 10 0 BDAERP C[C@@H]([NH3+])C1CC[NH+](C2CSC2)CC1 ZINC000307500277 353079315 /nfs/dbraw/zinc/07/93/15/353079315.db2.gz MKRVIYYKMDCTBJ-MRVPVSSYSA-N 2 0 200.351 1.161 10 0 BDAERP C[N@H+]([C@@H]1CCSC1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223119038 353137553 /nfs/dbraw/zinc/13/75/53/353137553.db2.gz AWAMYEUJIJIUQA-OPRDCNLKSA-N 2 0 200.351 1.304 10 0 BDAERP [NH3+]Cc1ccc(C[NH+]2CCSCC2)s1 ZINC000231960994 353677680 /nfs/dbraw/zinc/67/76/80/353677680.db2.gz LNOKKGBMZZAILW-UHFFFAOYSA-N 2 0 228.386 1.756 10 0 BDAERP [NH2+]=C(NC1CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052048329 181199046 /nfs/dbraw/zinc/19/90/46/181199046.db2.gz FZZPYSQIABAKDP-NSHDSACASA-N 2 0 236.363 1.280 10 0 BDAERP C[N@H+]1C[C@H]2CN(C/C=C\Cl)C[C@H]2C1 ZINC000308431000 355578044 /nfs/dbraw/zinc/57/80/44/355578044.db2.gz TVIXOVYFPSBSAY-CSGBJPQYSA-N 2 0 200.713 1.232 10 0 BDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324568476 356400711 /nfs/dbraw/zinc/40/07/11/356400711.db2.gz VYXBVVQWWPFWRQ-IJLUTSLNSA-N 2 0 228.380 1.514 10 0 BDAERP C[C@H]([NH2+]CC1(C)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000582235692 356652166 /nfs/dbraw/zinc/65/21/66/356652166.db2.gz UZQZRQNLAIRHQQ-STQMWFEESA-N 2 0 240.391 1.781 10 0 BDAERP CCC[NH+](CCC)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075303 538508974 /nfs/dbraw/zinc/50/89/74/538508974.db2.gz LFVWIUKDKSVOAX-NSHDSACASA-N 2 0 240.347 1.014 10 0 BDAERP COCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000656200475 538784584 /nfs/dbraw/zinc/78/45/84/538784584.db2.gz NBIABZXUMDCAJO-RYUDHWBXSA-N 2 0 226.364 1.391 10 0 BDAERP C[C@H]([NH2+]CCOCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000583687484 357119554 /nfs/dbraw/zinc/11/95/54/357119554.db2.gz FVHLOAPFJHFTEH-WCQYABFASA-N 2 0 226.364 1.391 10 0 BDAERP C[C@H]([NH2+]CCOCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000583687482 357120134 /nfs/dbraw/zinc/12/01/34/357120134.db2.gz FVHLOAPFJHFTEH-AAEUAGOBSA-N 2 0 226.364 1.391 10 0 BDAERP C[C@@]1(O)CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000230379318 357532441 /nfs/dbraw/zinc/53/24/41/357532441.db2.gz UFNIUXWFBLWGQR-CQSZACIVSA-N 2 0 240.391 1.709 10 0 BDAERP COc1ccccc1CCC[NH2+]CCCC[NH3+] ZINC000584615173 358279991 /nfs/dbraw/zinc/27/99/91/358279991.db2.gz LHPSJRYMOCKHJU-UHFFFAOYSA-N 2 0 236.359 1.956 10 0 BDAERP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000089165834 491127078 /nfs/dbraw/zinc/12/70/78/491127078.db2.gz AODIOPFSUKHNSD-JSGCOSHPSA-N 2 0 240.391 1.611 10 0 BDAERP F[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000584649677 358304034 /nfs/dbraw/zinc/30/40/34/358304034.db2.gz IDLREJYJULHSPE-CHWSQXEVSA-N 2 0 220.291 1.430 10 0 BDAERP CC[N@@H+]1CC[C@@](C[NH3+])(c2ccccc2)C1 ZINC000584634017 358317315 /nfs/dbraw/zinc/31/73/15/358317315.db2.gz YEDZOISMUGLCHF-ZDUSSCGKSA-N 2 0 204.317 1.609 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000086403460 358967942 /nfs/dbraw/zinc/96/79/42/358967942.db2.gz FTRAGLXJAYIQHV-XQQFMLRXSA-N 2 0 225.380 1.330 10 0 BDAERP C1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CS1 ZINC000231347017 359859871 /nfs/dbraw/zinc/85/98/71/359859871.db2.gz LZWRIFCEMDEFLV-ZJUUUORDSA-N 2 0 200.351 1.224 10 0 BDAERP [NH3+][C@H]1CC[C@H](CC[NH+]2CCSCC2)C1 ZINC000306433508 359940223 /nfs/dbraw/zinc/94/02/23/359940223.db2.gz XASPMUQOSXNVNZ-MNOVXSKESA-N 2 0 214.378 1.553 10 0 BDAERP CCn1ccc([C@H]2[NH2+]CC23CC[NH2+]CC3)c1 ZINC000536960465 360014052 /nfs/dbraw/zinc/01/40/52/360014052.db2.gz QJQHGHSGBANQPV-GFCCVEGCSA-N 2 0 219.332 1.522 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cccnc1Br ZINC000306577133 360465147 /nfs/dbraw/zinc/46/51/47/360465147.db2.gz LBHBMVBYRBKZGU-ZETCQYMHSA-N 2 0 230.109 1.193 10 0 BDAERP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)OCC ZINC000629515056 361112453 /nfs/dbraw/zinc/11/24/53/361112453.db2.gz PZZBKGYBMCVHCU-YNEHKIRRSA-N 2 0 228.380 1.779 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000622043921 370675904 /nfs/dbraw/zinc/67/59/04/370675904.db2.gz POITXPGZUXGCTG-IVZWLZJFSA-N 2 0 218.291 1.619 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000629550541 361442481 /nfs/dbraw/zinc/44/24/81/361442481.db2.gz ZCDHDJWSMSSQET-XYJRDEOASA-N 2 0 224.348 1.142 10 0 BDAERP [NH3+]C1[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000047845142 181346787 /nfs/dbraw/zinc/34/67/87/181346787.db2.gz PZBJODSAGVQRDZ-FUNVUKJBSA-N 2 0 202.301 1.466 10 0 BDAERP CO[C@@H]1CN(Cc2ccccc2C)[C@@](C)(C[NH3+])C1 ZINC000630359600 364079292 /nfs/dbraw/zinc/07/92/92/364079292.db2.gz GMVZVCJFJIAZOR-LSDHHAIUSA-N 2 0 248.370 1.933 10 0 BDAERP CCC(CC)C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630369128 364086594 /nfs/dbraw/zinc/08/65/94/364086594.db2.gz VJNYUKXOETZUMO-OLZOCXBDSA-N 2 0 228.380 1.861 10 0 BDAERP CO[C@H]1C[N@H+](CCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630369878 364087327 /nfs/dbraw/zinc/08/73/27/364087327.db2.gz XGHBHAXXZSOAJS-OLZOCXBDSA-N 2 0 226.364 1.615 10 0 BDAERP [NH3+]CC1(N2CC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC000062978514 181360797 /nfs/dbraw/zinc/36/07/97/181360797.db2.gz KMSLCFHFAMKMFE-CYBMUJFWSA-N 2 0 237.391 1.428 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCCSCC2)CCCC1 ZINC000051284197 181359617 /nfs/dbraw/zinc/35/96/17/181359617.db2.gz DHAMFXAIOFMGFW-UHFFFAOYSA-N 2 0 228.405 1.944 10 0 BDAERP Cc1c[nH+]ccc1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000630533372 364224523 /nfs/dbraw/zinc/22/45/23/364224523.db2.gz OYCOMQQQFWNDPR-GHMZBOCLSA-N 2 0 205.305 1.364 10 0 BDAERP Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)cc[nH+]1 ZINC000630533420 364226212 /nfs/dbraw/zinc/22/62/12/364226212.db2.gz PKDUCUZTMFEWGO-BXKDBHETSA-N 2 0 205.305 1.364 10 0 BDAERP [NH3+]CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000037713612 181383346 /nfs/dbraw/zinc/38/33/46/181383346.db2.gz BBJZLHCMGGTHQG-UHFFFAOYSA-N 2 0 244.342 1.370 10 0 BDAERP [NH3+]CCC[NH2+]CCSc1ccccc1 ZINC000027211648 181383934 /nfs/dbraw/zinc/38/39/34/181383934.db2.gz XVWMTUURNMVNJE-UHFFFAOYSA-N 2 0 210.346 1.717 10 0 BDAERP CC[N@H+](C[C@H]1CCCO1)CC1(C)CC[NH2+]CC1 ZINC000062841806 169898023 /nfs/dbraw/zinc/89/80/23/169898023.db2.gz VKNSXXFTYHZTFB-CYBMUJFWSA-N 2 0 240.391 1.877 10 0 BDAERP CC(C)[NH+]1CCC(N2CC[NH2+]C[C@@H]2C)CC1 ZINC000383820575 541514380 /nfs/dbraw/zinc/51/43/80/541514380.db2.gz IAFITQXWVMJTMP-LBPRGKRZSA-N 2 0 225.380 1.153 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000581185029 367285798 /nfs/dbraw/zinc/28/57/98/367285798.db2.gz DETHAZOXOVDSLD-RKQHYHRCSA-N 2 0 240.391 1.778 10 0 BDAERP C[N@H+](C1CCC1)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252979260 368176977 /nfs/dbraw/zinc/17/69/77/368176977.db2.gz HATBHBIKZPYZQK-VXGBXAGGSA-N 2 0 240.347 1.094 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)[C@H](C)O ZINC000567639406 326236713 /nfs/dbraw/zinc/23/67/13/326236713.db2.gz NDCPTJXPKQGRSZ-RHYQMDGZSA-N 2 0 214.353 1.124 10 0 BDAERP CSCC[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C ZINC000131553511 371623332 /nfs/dbraw/zinc/62/33/32/371623332.db2.gz VPTVSECZTVZNEK-UWVGGRQHSA-N 2 0 202.367 1.422 10 0 BDAERP C[C@H](C[N@@H+]1CCS[C@@H](C)[C@@H]1C)C(N)=[NH2+] ZINC000132440290 371822164 /nfs/dbraw/zinc/82/21/64/371822164.db2.gz VKMLZBJAIIZLSM-VGMNWLOBSA-N 2 0 215.366 1.384 10 0 BDAERP C[C@@H](CNC1=[NH+][C@H](C)CCS1)[NH+](C)C ZINC000133595005 372080920 /nfs/dbraw/zinc/08/09/20/372080920.db2.gz DTGHJEQRGYPRGI-BDAKNGLRSA-N 2 0 215.366 1.408 10 0 BDAERP CC[N@@H+](Cc1ccccc1)C[C@H](O)CC[NH3+] ZINC000071524685 169915317 /nfs/dbraw/zinc/91/53/17/169915317.db2.gz DBKNYRIECPNSKL-CYBMUJFWSA-N 2 0 222.332 1.218 10 0 BDAERP CO[C@H](C)[C@H](C)[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC000229408157 372149875 /nfs/dbraw/zinc/14/98/75/372149875.db2.gz KMGBGAOPMDHDBA-UKKRHICBSA-N 2 0 200.326 1.079 10 0 BDAERP C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631836720 372624987 /nfs/dbraw/zinc/62/49/87/372624987.db2.gz FTKHCKMVVAAXRH-FRRDWIJNSA-N 2 0 226.364 1.472 10 0 BDAERP Cc1noc(C)c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842644 372641036 /nfs/dbraw/zinc/64/10/36/372641036.db2.gz CZNASGPBJWVEIJ-KWQFWETISA-N 2 0 223.320 1.318 10 0 BDAERP CCCCOCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842238 372641541 /nfs/dbraw/zinc/64/15/41/372641541.db2.gz XKSLLMTXYADUND-NEPJUHHUSA-N 2 0 214.353 1.330 10 0 BDAERP OCCC[NH2+]CCC[NH+]1CCCCCC1 ZINC000049478027 183056101 /nfs/dbraw/zinc/05/61/01/183056101.db2.gz KOHUEGVYUNQCQX-UHFFFAOYSA-N 2 0 214.353 1.225 10 0 BDAERP OCCC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000052762385 183065149 /nfs/dbraw/zinc/06/51/49/183065149.db2.gz NKJYLFXYMWPOEB-CQSZACIVSA-N 2 0 240.391 1.709 10 0 BDAERP OCC[NH2+]CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000013732653 183078223 /nfs/dbraw/zinc/07/82/23/183078223.db2.gz WDDINUZRTFGNPJ-UHFFFAOYSA-N 2 0 242.750 1.402 10 0 BDAERP CCC[N@H+]([C@H]1CCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000037690834 169091218 /nfs/dbraw/zinc/09/12/18/169091218.db2.gz VUKUOEUJVSPLEC-STQMWFEESA-N 2 0 226.364 1.364 10 0 BDAERP CCC[N@H+](CCO)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023217 169166132 /nfs/dbraw/zinc/16/61/32/169166132.db2.gz GWEHLLOPIYXWGK-ZDUSSCGKSA-N 2 0 249.358 1.758 10 0 BDAERP CCC[NH+]1CCC(N2CC[NH2+][C@H](C)CC2)CC1 ZINC000049662635 169187212 /nfs/dbraw/zinc/18/72/12/169187212.db2.gz MMVCPJDLCMBMQQ-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCN([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000019405917 169205524 /nfs/dbraw/zinc/20/55/24/169205524.db2.gz QFEWKKWUCUACPO-STQMWFEESA-N 2 0 225.380 1.284 10 0 BDAERP CCC[N@H+](Cc1cccnc1C(N)=[NH2+])C1CC1 ZINC000061657934 169178466 /nfs/dbraw/zinc/17/84/66/169178466.db2.gz PDVWRXLUOJZONK-UHFFFAOYSA-N 2 0 232.331 1.740 10 0 BDAERP c1cc(CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000037904657 183338048 /nfs/dbraw/zinc/33/80/48/183338048.db2.gz PGWHVAUJPYLEEI-CQSZACIVSA-N 2 0 245.370 1.698 10 0 BDAERP CCC[NH2+]C1CCN([C@H](C)CC[NH+](C)C)CC1 ZINC000049557911 169255775 /nfs/dbraw/zinc/25/57/75/169255775.db2.gz PSMZDQWLJSAXCH-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]CC[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000052419955 169260956 /nfs/dbraw/zinc/26/09/56/169260956.db2.gz QKIHXFHDFULWBV-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@@H](CC)N(C)CC[NH+]1CCCC1 ZINC000063054181 169262084 /nfs/dbraw/zinc/26/20/84/169262084.db2.gz WTZSRLAYCRQUDG-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+][C@H](C)CN1CC[N@H+](C)[C@H](CC)C1 ZINC000082478001 169286082 /nfs/dbraw/zinc/28/60/82/169286082.db2.gz BUNBGMVQOCTYCO-CHWSQXEVSA-N 2 0 227.396 1.401 10 0 BDAERP CCC[NH2+][C@H](C)[C@H]1CCCN(CC[NH+](C)C)C1 ZINC000104421694 169287030 /nfs/dbraw/zinc/28/70/30/169287030.db2.gz OKECURDVGIMDIX-KGLIPLIRSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@](C)(CC)CN(C)CC[NH+](C)C ZINC000104189025 169264608 /nfs/dbraw/zinc/26/46/08/169264608.db2.gz CPOJPKGCHUOJPY-AWEZNQCLSA-N 2 0 243.439 1.896 10 0 BDAERP CCC[NH2+][C@@H]1CCCC[C@H]1N(C)CC[NH+](C)C ZINC000104202024 169282315 /nfs/dbraw/zinc/28/23/15/169282315.db2.gz VCLFWHLYQRHFMY-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000049711413 169291431 /nfs/dbraw/zinc/29/14/31/169291431.db2.gz OLCYMYXCSWMMLW-JSGCOSHPSA-N 2 0 240.391 1.875 10 0 BDAERP CCC[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000049694012 169291906 /nfs/dbraw/zinc/29/19/06/169291906.db2.gz FLHHNUFXGIIPSE-IHRRRGAJSA-N 2 0 240.391 1.875 10 0 BDAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)CCO ZINC000053869790 169292592 /nfs/dbraw/zinc/29/25/92/169292592.db2.gz SXHVGSBSQLQDLN-MCIONIFRSA-N 2 0 242.407 1.715 10 0 BDAERP C[C@H]([C@@H]1CCCO1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309394624 383933889 /nfs/dbraw/zinc/93/38/89/383933889.db2.gz IGBZZQUKPCOATQ-FVCCEPFGSA-N 2 0 226.364 1.471 10 0 BDAERP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168746381 384306540 /nfs/dbraw/zinc/30/65/40/384306540.db2.gz UROPBMCZFOKPNX-IJLUTSLNSA-N 2 0 212.337 1.022 10 0 BDAERP CCc1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000013732683 384373349 /nfs/dbraw/zinc/37/33/49/384373349.db2.gz QDHVTWZIYNHJOZ-UHFFFAOYSA-N 2 0 236.359 1.311 10 0 BDAERP COC[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000084222772 384379093 /nfs/dbraw/zinc/37/90/93/384379093.db2.gz BXTGYDZMDGHJEQ-UTUOFQBUSA-N 2 0 214.353 1.374 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccnc(Cl)n2)CC1 ZINC000100267996 384628725 /nfs/dbraw/zinc/62/87/25/384628725.db2.gz SSPBJOOBDAZPHR-DTORHVGOSA-N 2 0 240.738 1.490 10 0 BDAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccc[nH]1 ZINC000100256553 384629097 /nfs/dbraw/zinc/62/90/97/384629097.db2.gz HVCYJXIVDRWBNC-GARJFASQSA-N 2 0 207.321 1.935 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000100268004 384631954 /nfs/dbraw/zinc/63/19/54/384631954.db2.gz JREKBTAHPHKVRN-DTORHVGOSA-N 2 0 240.738 1.490 10 0 BDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000054071608 384726459 /nfs/dbraw/zinc/72/64/59/384726459.db2.gz RMNCPBVKYNJEOX-VXGBXAGGSA-N 2 0 243.395 1.221 10 0 BDAERP C[C@@H](C[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000082576312 384772577 /nfs/dbraw/zinc/77/25/77/384772577.db2.gz KIEOUMPFNGJDLW-VIFPVBQESA-N 2 0 201.273 1.994 10 0 BDAERP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000398286185 384887859 /nfs/dbraw/zinc/88/78/59/384887859.db2.gz IVPNYIAMZJLUAI-SNPRPXQTSA-N 2 0 230.355 1.989 10 0 BDAERP COc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000258946323 384950322 /nfs/dbraw/zinc/95/03/22/384950322.db2.gz QVQXRHXCGQSVJH-LBPRGKRZSA-N 2 0 220.316 1.394 10 0 BDAERP COc1cccc(C[NH2+]CC[C@H](C)[NH3+])c1 ZINC000258779361 384943468 /nfs/dbraw/zinc/94/34/68/384943468.db2.gz OXMOVSIDHNVZGK-JTQLQIEISA-N 2 0 208.305 1.522 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000178518399 385294404 /nfs/dbraw/zinc/29/44/04/385294404.db2.gz UYMHRISADMEZFX-GXTWGEPZSA-N 2 0 240.391 1.611 10 0 BDAERP [NH3+]Cc1ccc2c(c1)C[N@H+](C1CC1)CCO2 ZINC000409423562 385331431 /nfs/dbraw/zinc/33/14/31/385331431.db2.gz SSBHBXKCNITFLE-UHFFFAOYSA-N 2 0 218.300 1.502 10 0 BDAERP Cc1ccc(O)c(CN(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000156017876 385428001 /nfs/dbraw/zinc/42/80/01/385428001.db2.gz SHYQWUOTDLSMSP-LBPRGKRZSA-N 2 0 249.358 1.479 10 0 BDAERP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000258093461 385537330 /nfs/dbraw/zinc/53/73/30/385537330.db2.gz KJGDTWZLCFUXGF-NXEZZACHSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000336770769 386027567 /nfs/dbraw/zinc/02/75/67/386027567.db2.gz WYSGYFZTOPMMJR-NJMOYASZSA-N 2 0 208.349 1.857 10 0 BDAERP C[C@H]([NH2+]Cc1cccc(CO)c1)[C@H]1CCC[NH2+]C1 ZINC000520564992 386695872 /nfs/dbraw/zinc/69/58/72/386695872.db2.gz XGJMBCHRASTUCS-WFASDCNBSA-N 2 0 248.370 1.657 10 0 BDAERP FC1(F)CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000334787599 386848910 /nfs/dbraw/zinc/84/89/10/386848910.db2.gz XCLWPJWHOFZYAK-NXEZZACHSA-N 2 0 218.291 1.763 10 0 BDAERP CN(Cc1ccccc1)[C@H]1CC[NH2+]C[C@H]1F ZINC000575458649 387028564 /nfs/dbraw/zinc/02/85/64/387028564.db2.gz KMNKVEKMMUFWDN-OLZOCXBDSA-N 2 0 222.307 1.818 10 0 BDAERP COC(=O)c1ccccc1[C@H]([NH3+])CCC[NH3+] ZINC000575438644 387131572 /nfs/dbraw/zinc/13/15/72/387131572.db2.gz MRPRGSTUACICRN-LLVKDONJSA-N 2 0 222.288 1.212 10 0 BDAERP CCOc1cccc([C@H]([NH3+])CCC[NH3+])c1 ZINC000575439467 387123057 /nfs/dbraw/zinc/12/30/57/387123057.db2.gz MXPVXZRQNSUYFW-GFCCVEGCSA-N 2 0 208.305 1.824 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000575439445 387123396 /nfs/dbraw/zinc/12/33/96/387123396.db2.gz LVLMWSKVXBOLQN-SECBINFHSA-N 2 0 218.222 1.843 10 0 BDAERP COc1ccc(F)cc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575439965 387126045 /nfs/dbraw/zinc/12/60/45/387126045.db2.gz ZSCMCBDGHKTTLS-NSHDSACASA-N 2 0 226.295 1.963 10 0 BDAERP COc1ccccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575440014 387127058 /nfs/dbraw/zinc/12/70/58/387127058.db2.gz RIFCQMFVLVAXDR-LLVKDONJSA-N 2 0 208.305 1.824 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000575601546 387359890 /nfs/dbraw/zinc/35/98/90/387359890.db2.gz HKRGHGVKRMLJMQ-YNEHKIRRSA-N 2 0 225.380 1.330 10 0 BDAERP [NH3+]C1CC(C[N@@H+]2CCC=C(Br)C2)C1 ZINC000575497172 387325864 /nfs/dbraw/zinc/32/58/64/387325864.db2.gz FATUMCOIPWYBPY-UHFFFAOYSA-N 2 0 245.164 1.708 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CC[NH2+]1 ZINC000575513201 387386140 /nfs/dbraw/zinc/38/61/40/387386140.db2.gz BNEMMMBJEIODLS-KXUCPTDWSA-N 2 0 200.351 1.222 10 0 BDAERP C[NH+](C)CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637437 387501836 /nfs/dbraw/zinc/50/18/36/387501836.db2.gz ROPMJCQIYIDHFB-AVGNSLFASA-N 2 0 240.391 1.731 10 0 BDAERP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643473986 387488239 /nfs/dbraw/zinc/48/82/39/387488239.db2.gz JTXUPTGKAKPDSH-YUELXQCFSA-N 2 0 248.370 1.698 10 0 BDAERP C[C@@H]1CC[C@H]([NH2+]C2CC([NH3+])C2)CS1 ZINC000575535232 387574523 /nfs/dbraw/zinc/57/45/23/387574523.db2.gz RUKYQHDISYENCR-RJQCTPFPSA-N 2 0 200.351 1.350 10 0 BDAERP [NH3+][C@@H]1CCCCCN(C2CSC2)C1 ZINC000575547021 387636641 /nfs/dbraw/zinc/63/66/41/387636641.db2.gz WGIPXQSWNSNWFZ-SECBINFHSA-N 2 0 200.351 1.305 10 0 BDAERP C[C@@H](C[NH3+])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000575561960 387702549 /nfs/dbraw/zinc/70/25/49/387702549.db2.gz XPIPDBSWUFUVGA-AEJSXWLSSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000422830298 387723928 /nfs/dbraw/zinc/72/39/28/387723928.db2.gz CKPPNIUNXSKTIJ-REWJHTLYSA-N 2 0 239.407 1.447 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000643459712 387849298 /nfs/dbraw/zinc/84/92/98/387849298.db2.gz USYGYBLMEVSLLE-RWMBFGLXSA-N 2 0 226.364 1.533 10 0 BDAERP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000643491490 387893402 /nfs/dbraw/zinc/89/34/02/387893402.db2.gz NBIZAHYWVGJOTL-RWMBFGLXSA-N 2 0 228.380 1.779 10 0 BDAERP C[C@H]([NH2+]CCC1(F)CCC1)[C@@H]1CC[NH2+]C1 ZINC000423113900 387897007 /nfs/dbraw/zinc/89/70/07/387897007.db2.gz UWYYKKNMMNHPKP-WDEREUQCSA-N 2 0 214.328 1.856 10 0 BDAERP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)[C@H](C)O1 ZINC000423174927 387961491 /nfs/dbraw/zinc/96/14/91/387961491.db2.gz DCLZDNICVXOIGW-XQHKEYJVSA-N 2 0 226.364 1.532 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH2+]C1 ZINC000086724683 388107354 /nfs/dbraw/zinc/10/73/54/388107354.db2.gz DUSAGAPADCQHOE-QWHCGFSZSA-N 2 0 225.380 1.202 10 0 BDAERP C[C@H](CN[C@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000086728977 388107985 /nfs/dbraw/zinc/10/79/85/388107985.db2.gz CUGJKNXGGIBUIO-OLZOCXBDSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@@H]1CN(C[C@H]2CCC3(CCCC3)O2)C[C@@H]1[NH3+] ZINC000300050045 388346923 /nfs/dbraw/zinc/34/69/23/388346923.db2.gz WSKBEZAVJABCJB-UPJWGTAASA-N 2 0 238.375 1.757 10 0 BDAERP COCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000519767285 256659665 /nfs/dbraw/zinc/65/96/65/256659665.db2.gz YKIJJXBEVXQYLO-RWMBFGLXSA-N 2 0 244.379 1.016 10 0 BDAERP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C[NH+](C)C ZINC000336720618 388468063 /nfs/dbraw/zinc/46/80/63/388468063.db2.gz SFPHKMCQZDSLDO-LPWJVIDDSA-N 2 0 240.391 1.587 10 0 BDAERP Nc1cc2cc(OC3CC[NH2+]CC3)ccc2c[nH+]1 ZINC000090602248 388423752 /nfs/dbraw/zinc/42/37/52/388423752.db2.gz XTJXFYATTWIKRP-UHFFFAOYSA-N 2 0 243.310 1.948 10 0 BDAERP CC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000517024010 388533571 /nfs/dbraw/zinc/53/35/71/388533571.db2.gz NFKPRWYLBIBPCO-XQQFMLRXSA-N 2 0 228.380 1.373 10 0 BDAERP CC[C@@H](C)[C@@H](C[NH2+]C1CCC([NH3+])CC1)OC ZINC000362974586 388561854 /nfs/dbraw/zinc/56/18/54/388561854.db2.gz BHGIIXUGIAECJN-IKWCTNDRSA-N 2 0 228.380 1.907 10 0 BDAERP CO[C@H](C[NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000362975613 388563042 /nfs/dbraw/zinc/56/30/42/388563042.db2.gz GKVGDLUGDMUZLY-HTAVTVPLSA-N 2 0 214.353 1.517 10 0 BDAERP [NH3+][C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575471502 388850518 /nfs/dbraw/zinc/85/05/18/388850518.db2.gz AJNRCPPSJUFWFV-GJZGRUSLSA-N 2 0 246.354 1.769 10 0 BDAERP C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000564825402 388891169 /nfs/dbraw/zinc/89/11/69/388891169.db2.gz CYCNMEPNJVVOBH-VXGBXAGGSA-N 2 0 222.332 1.800 10 0 BDAERP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@H]1CCC[NH2+]C1 ZINC000564825724 388891306 /nfs/dbraw/zinc/89/13/06/388891306.db2.gz DRQSVHQVAFJMMA-XQQFMLRXSA-N 2 0 242.407 1.761 10 0 BDAERP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400591417 533394635 /nfs/dbraw/zinc/39/46/35/533394635.db2.gz UOOYVGNVOUEOQJ-CHWSQXEVSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@@H]([NH2+]CCOC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400432966 533397820 /nfs/dbraw/zinc/39/78/20/533397820.db2.gz LSPAABRXRKLFRU-SFYZADRCSA-N 2 0 226.242 1.110 10 0 BDAERP COc1ccc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400332649 533501499 /nfs/dbraw/zinc/50/14/99/533501499.db2.gz FERAYDFBSGGPIR-OCCSQVGLSA-N 2 0 248.370 1.825 10 0 BDAERP C[NH+](C)C1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000036190836 132340749 /nfs/dbraw/zinc/34/07/49/132340749.db2.gz NZFFLVQWZQJOBM-UHFFFAOYSA-N 2 0 234.347 1.071 10 0 BDAERP C[NH+](C)CC1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000042390692 132351062 /nfs/dbraw/zinc/35/10/62/132351062.db2.gz JGGIKEUJFJGJES-UHFFFAOYSA-N 2 0 248.374 1.318 10 0 BDAERP C[C@@H](O)C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248745824 135020198 /nfs/dbraw/zinc/02/01/98/135020198.db2.gz BBDPXRVRUBSBJY-DUJLVANISA-N 2 0 240.391 1.608 10 0 BDAERP C[C@@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248745827 135020250 /nfs/dbraw/zinc/02/02/50/135020250.db2.gz BBDPXRVRUBSBJY-PJIALRRASA-N 2 0 240.391 1.608 10 0 BDAERP [NH3+]C1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000086725283 135095090 /nfs/dbraw/zinc/09/50/90/135095090.db2.gz QKXVRIYTXCHMBG-UHFFFAOYSA-N 3 0 225.380 1.332 10 0 BDAERP CCC1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000261548559 135187933 /nfs/dbraw/zinc/18/79/33/135187933.db2.gz JQTQWTUYBXWIDR-ZDUSSCGKSA-N 2 0 240.391 1.782 10 0 BDAERP OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261599025 135237624 /nfs/dbraw/zinc/23/76/24/135237624.db2.gz ZRXLDCMZQYVEOU-RWMBFGLXSA-N 2 0 226.364 1.269 10 0 BDAERP CCCC1CCC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262117599 135279453 /nfs/dbraw/zinc/27/94/53/135279453.db2.gz LKJVEDCFAMJIJM-FKZOYECMSA-N 2 0 240.391 1.515 10 0 BDAERP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263261330 135343456 /nfs/dbraw/zinc/34/34/56/135343456.db2.gz QXWUINBXPYMCDK-JURCDPSOSA-N 2 0 248.370 1.349 10 0 BDAERP CC(C)[NH2+]CCN(C)CC1([NH+](C)C)CCC1 ZINC000165135106 135478014 /nfs/dbraw/zinc/47/80/14/135478014.db2.gz COKMOOYYNZDMIF-UHFFFAOYSA-N 2 0 227.396 1.401 10 0 BDAERP [NH3+][C@@H]1CCCN([C@H]2CCCCCC2=O)C1 ZINC000251386582 398079436 /nfs/dbraw/zinc/07/94/36/398079436.db2.gz QRMRGCBVQQZYCM-MNOVXSKESA-N 2 0 210.321 1.311 10 0 BDAERP FC(F)(F)OCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000398247376 322867588 /nfs/dbraw/zinc/86/75/88/322867588.db2.gz IXOADXLUYZEVMY-MRVPVSSYSA-N 2 0 226.242 1.255 10 0 BDAERP Cc1cc(C[NH2+]CC[C@@H](C)[NH3+])ccc1F ZINC000258825536 322876665 /nfs/dbraw/zinc/87/66/65/322876665.db2.gz URCFZUDJFIEXSO-SNVBAGLBSA-N 2 0 210.296 1.961 10 0 BDAERP CO[C@@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266533 409566993 /nfs/dbraw/zinc/56/69/93/409566993.db2.gz IDGPJHNQIJZBLF-KGLIPLIRSA-N 2 0 240.391 1.875 10 0 BDAERP OCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000129358256 410372238 /nfs/dbraw/zinc/37/22/38/410372238.db2.gz SEYVGWBPRCZZAE-CYBMUJFWSA-N 2 0 240.391 1.661 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000395113256 410837298 /nfs/dbraw/zinc/83/72/98/410837298.db2.gz BOBQNOIPWIPAHO-AVGNSLFASA-N 2 0 226.364 1.676 10 0 BDAERP CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809188 410895040 /nfs/dbraw/zinc/89/50/40/410895040.db2.gz UFVIRDAWUUETSN-OLZOCXBDSA-N 2 0 249.358 1.143 10 0 BDAERP CC(C)C[NH2+]C[C@H]1CCN([C@@H]2CC[N@H+](C)C2)C1 ZINC000053031645 167008412 /nfs/dbraw/zinc/00/84/12/167008412.db2.gz DPDNNBSOIIQCAC-ZIAGYGMSSA-N 2 0 239.407 1.258 10 0 BDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C2CC2)O1 ZINC000052445582 167008455 /nfs/dbraw/zinc/00/84/55/167008455.db2.gz VEUPOYYPVVJXHX-ZIAGYGMSSA-N 2 0 240.391 1.874 10 0 BDAERP CC(C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652443 167101973 /nfs/dbraw/zinc/10/19/73/167101973.db2.gz LWBNTXDLRUISOS-CQSZACIVSA-N 2 0 241.423 1.791 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000309648514 167105116 /nfs/dbraw/zinc/10/51/16/167105116.db2.gz WVQZCECUSKYITG-QWHCGFSZSA-N 2 0 225.380 1.010 10 0 BDAERP CC(C)[NH2+]C[C@@H]1CCCN([C@@H]2CC[N@H+](C)C2)C1 ZINC000063137003 167110759 /nfs/dbraw/zinc/11/07/59/167110759.db2.gz PSUYXCOOATUWAP-UONOGXRCSA-N 2 0 239.407 1.401 10 0 BDAERP CC[NH+](CC)CCOc1ccccc1CC[NH3+] ZINC000011800321 169783361 /nfs/dbraw/zinc/78/33/61/169783361.db2.gz KLADCHDMIITOOA-UHFFFAOYSA-N 2 0 236.359 1.908 10 0 BDAERP CC(C)[C@@H](C)[N@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658002 167369463 /nfs/dbraw/zinc/36/94/63/167369463.db2.gz RUGGHDULEJHYMW-SNVBAGLBSA-N 2 0 234.347 1.842 10 0 BDAERP C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310529299 411240885 /nfs/dbraw/zinc/24/08/85/411240885.db2.gz PMPMTZOGJQEVEJ-CABNGKKXSA-N 2 0 231.343 1.812 10 0 BDAERP C[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656781974 411357642 /nfs/dbraw/zinc/35/76/42/411357642.db2.gz BKQKIJRHCFRMMZ-CHWSQXEVSA-N 2 0 233.359 1.774 10 0 BDAERP CC1CC[NH+](CC2(C[NH3+])CCOCC2)CC1 ZINC000052180638 168179582 /nfs/dbraw/zinc/17/95/82/168179582.db2.gz YBQKIXSNOOCRJE-UHFFFAOYSA-N 2 0 226.364 1.474 10 0 BDAERP CC1CC[NH+](Cc2ccc(C[NH3+])o2)CC1 ZINC000052376977 168184480 /nfs/dbraw/zinc/18/44/80/168184480.db2.gz NDWXQDADCGJBNO-UHFFFAOYSA-N 2 0 208.305 1.970 10 0 BDAERP Cc1cnccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000129739375 411386517 /nfs/dbraw/zinc/38/65/17/411386517.db2.gz ITYZLKHOOLOZND-WCQYABFASA-N 2 0 219.332 1.607 10 0 BDAERP CC[NH+]1CCC([C@H](C)[NH2+]CCC(=O)OC)CC1 ZINC000037222220 169958231 /nfs/dbraw/zinc/95/82/31/169958231.db2.gz DVUPNSIASFDZAP-NSHDSACASA-N 2 0 242.363 1.260 10 0 BDAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+][C@@H](C)CC2)C1 ZINC000049662197 170006865 /nfs/dbraw/zinc/00/68/65/170006865.db2.gz RTHBCGGDEOJVPL-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP CC[N@@H+]1CCc2nc([C@@H](C)C[NH3+])sc2C1 ZINC000054158357 170024985 /nfs/dbraw/zinc/02/49/85/170024985.db2.gz FWKZXXYWKMTXEE-QMMMGPOBSA-N 2 0 225.361 1.583 10 0 BDAERP CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037757981 170086344 /nfs/dbraw/zinc/08/63/44/170086344.db2.gz OVYDHXUTDFILGO-LLVKDONJSA-N 2 0 249.358 1.102 10 0 BDAERP CC[NH2+]C1CCN(CCC[NH+]2CCCC2)CC1 ZINC000049331638 170108564 /nfs/dbraw/zinc/10/85/64/170108564.db2.gz VGGUZPGULOCFIK-UHFFFAOYSA-N 2 0 239.407 1.546 10 0 BDAERP CC[NH2+]CC1CC[NH+](CCc2ccccn2)CC1 ZINC000104429548 170111123 /nfs/dbraw/zinc/11/11/23/170111123.db2.gz SFOBGMWBARMGGH-UHFFFAOYSA-N 2 0 247.386 1.946 10 0 BDAERP CC[NH2+]CCCc1cnn(-c2cc[nH+]cc2)c1 ZINC000054680357 170113875 /nfs/dbraw/zinc/11/38/75/170113875.db2.gz IWQRIXNERSMLHE-UHFFFAOYSA-N 2 0 230.315 1.809 10 0 BDAERP CC[NH2+]CC[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063124134 170116720 /nfs/dbraw/zinc/11/67/20/170116720.db2.gz GBPHZGHZPCTZOS-CYBMUJFWSA-N 3 0 241.423 1.648 10 0 BDAERP CC[NH2+]CC[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055083089 170117243 /nfs/dbraw/zinc/11/72/43/170117243.db2.gz ZGBDSAKQUWIZKT-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC[NH2+]CC[C@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000052544076 170117444 /nfs/dbraw/zinc/11/74/44/170117444.db2.gz WIFFJOLZODQELI-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000053031285 170122666 /nfs/dbraw/zinc/12/26/66/170122666.db2.gz CFBJVFNBPHUQQR-LLVKDONJSA-N 2 0 212.337 1.097 10 0 BDAERP CC[NH2+]C[C@]1(C[NH+]2CCC(C)CC2)CCOC1 ZINC000051207918 170123327 /nfs/dbraw/zinc/12/33/27/170123327.db2.gz HMFXKFWCVPOFFW-AWEZNQCLSA-N 2 0 240.391 1.735 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818335 170151291 /nfs/dbraw/zinc/15/12/91/170151291.db2.gz HLTLZXRCLWOTFQ-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+][C@H](C)CN(C)CC[NH+]1CCCC1 ZINC000063051543 170156818 /nfs/dbraw/zinc/15/68/18/170156818.db2.gz MICHLUCZWQWWIU-GFCCVEGCSA-N 2 0 213.369 1.012 10 0 BDAERP CC[NH2+][C@H]1CCN([C@@H]2CCC[N@H+](CC)C2)C1 ZINC000049216648 170168308 /nfs/dbraw/zinc/16/83/08/170168308.db2.gz VQBVOBCOPLDWCD-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@H+](CC)CCO ZINC000053869611 170168472 /nfs/dbraw/zinc/16/84/72/170168472.db2.gz RUKKHNHUGFUSGS-MCIONIFRSA-N 2 0 242.407 1.715 10 0 BDAERP CC[C@@H]([NH3+])[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052061241 170867895 /nfs/dbraw/zinc/86/78/95/170867895.db2.gz AJCYFJDBHJRKPU-GXTWGEPZSA-N 2 0 239.407 1.672 10 0 BDAERP CC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC[NH2+]1 ZINC000061148131 171012892 /nfs/dbraw/zinc/01/28/92/171012892.db2.gz LLMXAOLKIZQPRA-NWDGAFQWSA-N 2 0 212.337 1.097 10 0 BDAERP CC[C@@H]1CCN([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000049667793 171014607 /nfs/dbraw/zinc/01/46/07/171014607.db2.gz LFXSKNWDIBFGFL-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCCOCC2)C1 ZINC000061934657 171055609 /nfs/dbraw/zinc/05/56/09/171055609.db2.gz JPONOIHHCWUBKT-RDBSUJKOSA-N 2 0 240.391 1.862 10 0 BDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)CC[NH+](C)C)C1 ZINC000104188852 171056802 /nfs/dbraw/zinc/05/68/02/171056802.db2.gz OQDIOFANSXSMHG-MGPQQGTHSA-N 2 0 241.423 1.633 10 0 BDAERP CC[C@@H]1C[N@H+](CC2CCC([NH3+])CC2)CCO1 ZINC000037482481 171079766 /nfs/dbraw/zinc/07/97/66/171079766.db2.gz ZCYJLKRVASPLHC-WXRRBKDZSA-N 2 0 226.364 1.615 10 0 BDAERP CC[C@@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000083369866 171082113 /nfs/dbraw/zinc/08/21/13/171082113.db2.gz CMIJHRISBQZEEC-KGLIPLIRSA-N 2 0 241.423 1.647 10 0 BDAERP CC[C@@H]1C[NH2+][C@@H](C)CN1CCC[NH+](C)C ZINC000083085355 171101312 /nfs/dbraw/zinc/10/13/12/171101312.db2.gz UVFHEMJWXDBUNV-NWDGAFQWSA-N 2 0 213.369 1.010 10 0 BDAERP CC[C@@H]1CO[C@H](C)CN1C1CC[NH2+]CC1 ZINC000042450890 171111618 /nfs/dbraw/zinc/11/16/18/171111618.db2.gz LIDTYMGIEVDQHH-GHMZBOCLSA-N 2 0 212.337 1.238 10 0 BDAERP CC[C@@](C)(C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000042461715 171166698 /nfs/dbraw/zinc/16/66/98/171166698.db2.gz HKLVCEDZMKCKCO-ZDUSSCGKSA-N 2 0 227.396 1.530 10 0 BDAERP CC[C@@](C)(CO)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000051294380 171167304 /nfs/dbraw/zinc/16/73/04/171167304.db2.gz XONQDZWHNOYHIG-CQSZACIVSA-N 2 0 242.407 1.669 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000055066829 171319217 /nfs/dbraw/zinc/31/92/17/171319217.db2.gz DOHHJNPVDPVRIO-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCOC)C1 ZINC000076461522 171341173 /nfs/dbraw/zinc/34/11/73/171341173.db2.gz BSZDKCJOOMOHAX-RYUDHWBXSA-N 2 0 214.353 1.343 10 0 BDAERP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000665235928 412176655 /nfs/dbraw/zinc/17/66/55/412176655.db2.gz CMOGXXISCYLDOZ-OLZOCXBDSA-N 2 0 239.407 1.591 10 0 BDAERP C[C@@H]([NH3+])[C@H]1CN(CC2CCC(C)CC2)CCO1 ZINC000132653521 412180001 /nfs/dbraw/zinc/18/00/01/412180001.db2.gz NOYHKIKFNFSKHF-FKZOYECMSA-N 2 0 240.391 1.861 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]C1 ZINC000665265028 412209346 /nfs/dbraw/zinc/20/93/46/412209346.db2.gz OANJAPWRFZWQRV-AAVRWANBSA-N 2 0 240.391 1.922 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CCC[NH2+]C1 ZINC000665265030 412209364 /nfs/dbraw/zinc/20/93/64/412209364.db2.gz OANJAPWRFZWQRV-YIYPIFLZSA-N 2 0 240.391 1.922 10 0 BDAERP CC[C@](C)(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000036191656 171692378 /nfs/dbraw/zinc/69/23/78/171692378.db2.gz RVGRPDHSCUMIDU-GFCCVEGCSA-N 2 0 213.369 1.140 10 0 BDAERP C[NH2+]C[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000663281569 412409173 /nfs/dbraw/zinc/40/91/73/412409173.db2.gz XWKLJZSIUOPAEG-JTQLQIEISA-N 2 0 215.300 1.677 10 0 BDAERP CCn1cccc1CN[C@H](C)CC[NH+](C)C ZINC000085609257 172208820 /nfs/dbraw/zinc/20/88/20/172208820.db2.gz JZCKIGVJKWCGMA-GFCCVEGCSA-N 2 0 223.364 1.938 10 0 BDAERP CCn1cc[nH+]c1NC[C@H]1CCCC[N@@H+]1C ZINC000050614277 172228362 /nfs/dbraw/zinc/22/83/62/172228362.db2.gz DOPQAABXTYZFBC-LLVKDONJSA-N 2 0 222.336 1.799 10 0 BDAERP CCn1cc[nH+]c1NC[C@@H]1CCCC[N@@H+]1C ZINC000050614276 172228519 /nfs/dbraw/zinc/22/85/19/172228519.db2.gz DOPQAABXTYZFBC-NSHDSACASA-N 2 0 222.336 1.799 10 0 BDAERP C[NH+](C)CCCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601451 172435281 /nfs/dbraw/zinc/43/52/81/172435281.db2.gz ZTLAQXOFGBLBJE-YHWZYXNKSA-N 2 0 225.380 1.282 10 0 BDAERP C[NH+](C)CCC[NH2+]CCCc1ccncc1 ZINC000076276788 172440789 /nfs/dbraw/zinc/44/07/89/172440789.db2.gz UCKILNUCDIXTAH-UHFFFAOYSA-N 2 0 221.348 1.556 10 0 BDAERP C[N@H+](CC1CC[NH+](C)CC1)[C@H](CN)C(C)(C)C ZINC000063119943 172984772 /nfs/dbraw/zinc/98/47/72/172984772.db2.gz CDWCSYIDYIEYPA-CYBMUJFWSA-N 2 0 241.423 1.633 10 0 BDAERP C[NH+]1CCC([C@@H]([NH3+])c2ccncc2)CC1 ZINC000077299191 172999804 /nfs/dbraw/zinc/99/98/04/172999804.db2.gz DCCCTVSEIRJGJS-LBPRGKRZSA-N 2 0 205.305 1.423 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CNc1cc(N)cc[nH+]1 ZINC000044563509 173005002 /nfs/dbraw/zinc/00/50/02/173005002.db2.gz ROJQRRWBUWKPJW-LLVKDONJSA-N 2 0 220.320 1.560 10 0 BDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CCCO ZINC000305660232 173027117 /nfs/dbraw/zinc/02/71/17/173027117.db2.gz XTJQPJFJUIRLEF-ZIAGYGMSSA-N 2 0 240.391 1.708 10 0 BDAERP C[N@@H+]1CCC[C@H]1CCOC1CC[NH2+]CC1 ZINC000040240613 173052863 /nfs/dbraw/zinc/05/28/63/173052863.db2.gz DUUDWIPPCSGUPX-NSHDSACASA-N 2 0 212.337 1.239 10 0 BDAERP C[NH+]1CCN(C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020071645 173084288 /nfs/dbraw/zinc/08/42/88/173084288.db2.gz GUGFNCQPNWDBLN-RDBSUJKOSA-N 2 0 237.391 1.155 10 0 BDAERP C[NH+]1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000019936467 173094746 /nfs/dbraw/zinc/09/47/46/173094746.db2.gz VNBJZMAYOIGXKA-CQSZACIVSA-N 2 0 233.359 1.324 10 0 BDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccccc1 ZINC000071187993 173111498 /nfs/dbraw/zinc/11/14/98/173111498.db2.gz AEPAITGNTNYIBA-HIFRSBDPSA-N 2 0 247.386 1.570 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484653 173118024 /nfs/dbraw/zinc/11/80/24/173118024.db2.gz ZTRKECGWLCFGGM-LBPRGKRZSA-N 2 0 205.305 1.123 10 0 BDAERP C[NH2+]CC1(CN2CC[NH+](C)CC2)CCCC1 ZINC000051209084 173337608 /nfs/dbraw/zinc/33/76/08/173337608.db2.gz HAKFQNZBMRACQW-UHFFFAOYSA-N 2 0 225.380 1.014 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711755 173337926 /nfs/dbraw/zinc/33/79/26/173337926.db2.gz DXLJQAAYSQDJEG-LBPRGKRZSA-N 2 0 226.364 1.223 10 0 BDAERP C[NH2+]CC1(C[NH+]2CCC(CO)CC2)CCCC1 ZINC000051205888 173338181 /nfs/dbraw/zinc/33/81/81/173338181.db2.gz ZFXVCYPMAXSMTJ-UHFFFAOYSA-N 2 0 240.391 1.471 10 0 BDAERP C[NH2+]C[C@@H]1CCCCN1CC[NH+]1CCCCC1 ZINC000063169163 173367064 /nfs/dbraw/zinc/36/70/64/173367064.db2.gz MEKJTRGBOXPQSH-AWEZNQCLSA-N 2 0 239.407 1.546 10 0 BDAERP C[NH2+]C[C@@H]1CCC[N@H+](CCn2ccnc2C)C1 ZINC000049331256 173368250 /nfs/dbraw/zinc/36/82/50/173368250.db2.gz NCOMARBTTCFPTQ-ZDUSSCGKSA-N 2 0 236.363 1.123 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377129 173370619 /nfs/dbraw/zinc/37/06/19/173370619.db2.gz MVASCHLWCMHDST-STQMWFEESA-N 2 0 226.364 1.485 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC000051210268 173373710 /nfs/dbraw/zinc/37/37/10/173373710.db2.gz HUTDQLIBKHZQHZ-CHWSQXEVSA-N 2 0 226.364 1.344 10 0 BDAERP C[NH2+]C[C@H]1CCN(C[C@H](C)C[NH+]2CCCC2)C1 ZINC000062073956 173381496 /nfs/dbraw/zinc/38/14/96/173381496.db2.gz KTQPFAJNBVMPNW-ZIAGYGMSSA-N 2 0 239.407 1.260 10 0 BDAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCC2)O1 ZINC000052421288 173382426 /nfs/dbraw/zinc/38/24/26/173382426.db2.gz WAGDNCGTJVKNGD-NEPJUHHUSA-N 2 0 212.337 1.239 10 0 BDAERP C[NH2+]Cc1[nH]c2ccccc2c1C[NH+](C)C ZINC000022863885 173384257 /nfs/dbraw/zinc/38/42/57/173384257.db2.gz MLPQYOVVLPJBDA-UHFFFAOYSA-N 2 0 217.316 1.949 10 0 BDAERP C[NH2+]Cc1occc1CN1CC[NH+](C2CC2)CC1 ZINC000052371316 173399447 /nfs/dbraw/zinc/39/94/47/173399447.db2.gz VLPAQRDLXVQFBC-UHFFFAOYSA-N 2 0 249.358 1.279 10 0 BDAERP C[NH2+][C@@H](C)c1ccccc1N(C)CC[NH+](C)C ZINC000104191096 173420189 /nfs/dbraw/zinc/42/01/89/173420189.db2.gz RMNBKDOMCYSIDF-LBPRGKRZSA-N 2 0 235.375 1.965 10 0 BDAERP C[NH2+][C@@H]1CCC[C@@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053684 173434547 /nfs/dbraw/zinc/43/45/47/173434547.db2.gz PROVJKYSYTZCEE-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP COC1CC[NH+]([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037265719 174031265 /nfs/dbraw/zinc/03/12/65/174031265.db2.gz XFJGOIUKVFXBLQ-ZYHUDNBSSA-N 2 0 212.337 1.225 10 0 BDAERP COCC[NH+](CCOC)CC[C@@H]([NH3+])C(C)(C)C ZINC000054029359 174295927 /nfs/dbraw/zinc/29/59/27/174295927.db2.gz PZPGRMFSMATWAV-GFCCVEGCSA-N 2 0 246.395 1.345 10 0 BDAERP COCC[NH2+]CCC[NH+]1CCCCC1 ZINC000041210388 174332001 /nfs/dbraw/zinc/33/20/01/174332001.db2.gz OJYDBKJMPDOBAV-UHFFFAOYSA-N 2 0 200.326 1.098 10 0 BDAERP COc1ccc(CC[NH3+])c(OCC[NH+](C)C)c1 ZINC000011801356 175090746 /nfs/dbraw/zinc/09/07/46/175090746.db2.gz LECKUCYFNIKERZ-UHFFFAOYSA-N 2 0 238.331 1.137 10 0 BDAERP COc1ccc(C[NH3+])c(OCCC[NH+](C)C)c1 ZINC000011962276 175096866 /nfs/dbraw/zinc/09/68/66/175096866.db2.gz IEVXMVLQPVYDCU-UHFFFAOYSA-N 2 0 238.331 1.484 10 0 BDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225813629 487630203 /nfs/dbraw/zinc/63/02/03/487630203.db2.gz WSHWEQFWTSBIMI-VXGBXAGGSA-N 2 0 243.395 1.206 10 0 BDAERP COc1cccc(C[C@@H](C[NH3+])C[NH+](C)C)c1 ZINC000011799973 175270349 /nfs/dbraw/zinc/27/03/49/175270349.db2.gz GXUUCPPWYPXOGN-LBPRGKRZSA-N 2 0 222.332 1.374 10 0 BDAERP COc1cccc(C[C@@](C)(C[NH3+])C[NH+](C)C)c1 ZINC000011800569 175271322 /nfs/dbraw/zinc/27/13/22/175271322.db2.gz FJBMLUWUMXJXMW-AWEZNQCLSA-N 2 0 236.359 1.764 10 0 BDAERP C[C@@H]([C@@H]1CCCO1)[NH+]1CCC[NH2+]CCC1 ZINC000049666235 176012153 /nfs/dbraw/zinc/01/21/53/176012153.db2.gz XAWZSKQWJDPAIN-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657704 176074318 /nfs/dbraw/zinc/07/43/18/176074318.db2.gz YYCOHSYLUBGMKY-SNVBAGLBSA-N 2 0 232.331 1.740 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2cc(C[NH3+])no2)[C@H](C)C1 ZINC000052510123 176174428 /nfs/dbraw/zinc/17/44/28/176174428.db2.gz YVQVFQYGZYDYIH-NXEZZACHSA-N 2 0 223.320 1.754 10 0 BDAERP C[C@@H]1C[N@H+](CCC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000050952306 176289092 /nfs/dbraw/zinc/28/90/92/176289092.db2.gz APXLFAUTHLLBLX-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]1C[N@H+](CC[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000061934327 176293804 /nfs/dbraw/zinc/29/38/04/176293804.db2.gz AVYUOTBBXBUUMB-NEPJUHHUSA-N 2 0 228.380 1.861 10 0 BDAERP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@H+](C)C2)S1 ZINC000037485235 176323819 /nfs/dbraw/zinc/32/38/19/176323819.db2.gz XHRQKRWYRLLKGD-RKDXNWHRSA-N 2 0 213.350 1.019 10 0 BDAERP C[C@@H]1C[NH2+]CCN([C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000049662595 176325469 /nfs/dbraw/zinc/32/54/69/176325469.db2.gz IRESQKSDSLZRJK-MGPQQGTHSA-N 2 0 237.391 1.155 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](Cc2ccco2)C1 ZINC000049664350 176329416 /nfs/dbraw/zinc/32/94/16/176329416.db2.gz LZIQHCKODULJAN-VXGBXAGGSA-N 2 0 222.332 1.957 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCCO ZINC000048695463 177075467 /nfs/dbraw/zinc/07/54/67/177075467.db2.gz QWSLYFQFLKGPIQ-LBPRGKRZSA-N 2 0 214.353 1.223 10 0 BDAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052373385 177100729 /nfs/dbraw/zinc/10/07/29/177100729.db2.gz XKQJBXVUIOAJHV-VHSXEESVSA-N 2 0 223.320 1.754 10 0 BDAERP C[C@H]1CCC[N@@H+]1Cc1cccnc1C[NH3+] ZINC000061656648 177109869 /nfs/dbraw/zinc/10/98/69/177109869.db2.gz BIJIUZVTCAYQAY-JTQLQIEISA-N 2 0 205.305 1.525 10 0 BDAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CCc2cccnc2)C1 ZINC000049666865 177162321 /nfs/dbraw/zinc/16/23/21/177162321.db2.gz ZGPFLENVUJNTGI-KGLIPLIRSA-N 2 0 247.386 1.944 10 0 BDAERP C[C@H]1CC[N@H+](Cc2ccccc2C[NH3+])C1 ZINC000040716987 177165138 /nfs/dbraw/zinc/16/51/38/177165138.db2.gz KBPWMDGJPZUJOH-NSHDSACASA-N 2 0 204.317 1.987 10 0 BDAERP C[C@H]1C[N@@H+](C2CCC([NH3+])CC2)CCCO1 ZINC000061918726 177241675 /nfs/dbraw/zinc/24/16/75/177241675.db2.gz GUKOFJOCAGZOCM-UNXYVOJBSA-N 2 0 212.337 1.367 10 0 BDAERP C[C@H]1C[N@@H+](C2CCCCCC2)C[C@H](C[NH3+])O1 ZINC000071532963 177241799 /nfs/dbraw/zinc/24/17/99/177241799.db2.gz IVXJAOYUURNWBL-AAEUAGOBSA-N 2 0 226.364 1.757 10 0 BDAERP C[C@H]1CSC(NC2CC[NH+](C)CC2)=[NH+]1 ZINC000035295406 177303067 /nfs/dbraw/zinc/30/30/67/177303067.db2.gz CSQSNSWEEZUSTB-QMMMGPOBSA-N 2 0 213.350 1.162 10 0 BDAERP C[C@H]1C[C@H](C)C[NH+](Cc2cc(C[NH3+])no2)C1 ZINC000052420746 177358739 /nfs/dbraw/zinc/35/87/39/177358739.db2.gz JCLWAHDPVGXNQH-UWVGGRQHSA-N 2 0 223.320 1.611 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038096172 177370085 /nfs/dbraw/zinc/37/00/85/177370085.db2.gz AQUHUUNWSKYNQV-RFGFWPKPSA-N 2 0 240.391 1.874 10 0 BDAERP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361771 226341674 /nfs/dbraw/zinc/34/16/74/226341674.db2.gz QHEDAYRDLOOGHW-RDBSUJKOSA-N 2 0 239.407 1.448 10 0 BDAERP COCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400354910 226341798 /nfs/dbraw/zinc/34/17/98/226341798.db2.gz LSUKSMXWXMJFCA-GHMZBOCLSA-N 2 0 214.353 1.247 10 0 BDAERP C[NH+](C)CCC1(c2cccc(O)c2)CC[NH2+]CC1 ZINC000504366896 226343211 /nfs/dbraw/zinc/34/32/11/226343211.db2.gz YYXVVRZCMKVUIR-UHFFFAOYSA-N 2 0 248.370 1.965 10 0 BDAERP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400721344 226350124 /nfs/dbraw/zinc/35/01/24/226350124.db2.gz ONTQVTPYOSYLJR-QJPTWQEYSA-N 2 0 214.353 1.245 10 0 BDAERP CC[NH+](CC)C[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136447232 487736296 /nfs/dbraw/zinc/73/62/96/487736296.db2.gz GJKHSKIAXZTDSI-RYUDHWBXSA-N 2 0 243.395 1.206 10 0 BDAERP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000252476640 487824800 /nfs/dbraw/zinc/82/48/00/487824800.db2.gz SUSDEALAKFKBDK-AAVRWANBSA-N 2 0 238.375 1.316 10 0 BDAERP COCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000666774675 487878385 /nfs/dbraw/zinc/87/83/85/487878385.db2.gz RHBSJFQIIJULFY-QJPTWQEYSA-N 2 0 214.353 1.389 10 0 BDAERP C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000570663828 323066405 /nfs/dbraw/zinc/06/64/05/323066405.db2.gz FNUGBPQFOBXPFL-AVGNSLFASA-N 2 0 226.364 1.533 10 0 BDAERP C[C@@H]([NH2+]CC1CC=CC1)[C@@H]1CCC[NH2+]C1 ZINC000530215895 323216959 /nfs/dbraw/zinc/21/69/59/323216959.db2.gz KBHWSSGOBSKIAR-DGCLKSJQSA-N 2 0 208.349 1.930 10 0 BDAERP CCOCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566791114 326082570 /nfs/dbraw/zinc/08/25/70/326082570.db2.gz RORFQAVBASANGD-VXGBXAGGSA-N 2 0 214.353 1.391 10 0 BDAERP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400756212 487987235 /nfs/dbraw/zinc/98/72/35/487987235.db2.gz XAMYSXOPQAWTNH-AGIUHOORSA-N 2 0 225.380 1.058 10 0 BDAERP c1ccc2c(NC[C@@H]3COCC[NH2+]3)cc[nH+]c2c1 ZINC000232450579 487594216 /nfs/dbraw/zinc/59/42/16/487594216.db2.gz KJXJXXSHHUCXGG-LLVKDONJSA-N 2 0 243.310 1.635 10 0 BDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088019 490668579 /nfs/dbraw/zinc/66/85/79/490668579.db2.gz YNYPXYRILCKKHW-LLVKDONJSA-N 2 0 241.379 1.104 10 0 BDAERP CC1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCC1 ZINC000310352479 491161169 /nfs/dbraw/zinc/16/11/69/491161169.db2.gz HKRBOFFYVAJBOH-ZDUSSCGKSA-N 2 0 240.391 1.613 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757129254 582505019 /nfs/dbraw/zinc/50/50/19/582505019.db2.gz LAYRDXDLGLKRDM-CHWSQXEVSA-N 2 0 226.364 1.487 10 0 BDAERP CCOCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757135091 582513937 /nfs/dbraw/zinc/51/39/37/582513937.db2.gz YIANCFIOXGPVIC-ZIAGYGMSSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[C@H]1CCO[C@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757147739 582531377 /nfs/dbraw/zinc/53/13/77/582531377.db2.gz SQPNYSHFLRQLME-STQMWFEESA-N 2 0 226.364 1.977 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757148391 582533267 /nfs/dbraw/zinc/53/32/67/582533267.db2.gz NCKDNNCKCFGFAK-NSHDSACASA-N 2 0 210.321 1.197 10 0 BDAERP C[C@H](NCC1([NH+](C)C)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400347429 533833124 /nfs/dbraw/zinc/83/31/24/533833124.db2.gz LAAGATNRUQTRIT-STQMWFEESA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[NH2+]C1 ZINC000400382463 533881580 /nfs/dbraw/zinc/88/15/80/533881580.db2.gz KSBHVODMMJASLK-RNJOBUHISA-N 2 0 226.364 1.125 10 0 BDAERP COc1ccccc1CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400486752 534047194 /nfs/dbraw/zinc/04/71/94/534047194.db2.gz XSLQUXZMQBIBIN-OCCSQVGLSA-N 2 0 248.370 1.825 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400720590 528503057 /nfs/dbraw/zinc/50/30/57/528503057.db2.gz OGVDQHSTVGMRHD-MGPQQGTHSA-N 2 0 241.423 1.693 10 0 BDAERP CC(C)[NH+](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400423062 528907033 /nfs/dbraw/zinc/90/70/33/528907033.db2.gz XRTQPLKRUBHLIU-UONOGXRCSA-N 2 0 241.423 1.693 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400335880 529092406 /nfs/dbraw/zinc/09/24/06/529092406.db2.gz ABUVVNMSMIYJJS-FRRDWIJNSA-N 2 0 225.380 1.201 10 0 BDAERP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251448034 535279225 /nfs/dbraw/zinc/27/92/25/535279225.db2.gz WRAHSUAYUPGDRC-OLZOCXBDSA-N 2 0 225.380 1.140 10 0 BDAERP CCCc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263210012 535432924 /nfs/dbraw/zinc/43/29/24/535432924.db2.gz KDBJXFIFYHPEDZ-HUUCEWRRSA-N 2 0 248.370 1.309 10 0 BDAERP CN1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000167994597 536344629 /nfs/dbraw/zinc/34/46/29/536344629.db2.gz HXKMPLSNZGRFNO-DGCLKSJQSA-N 2 0 226.364 1.221 10 0 BDAERP [NH3+]C1(CNc2ccnn2C2C[NH2+]C2)CCCCC1 ZINC000725257934 538070158 /nfs/dbraw/zinc/07/01/58/538070158.db2.gz AAHDRAXYPTYTDP-UHFFFAOYSA-N 2 0 249.362 1.101 10 0 BDAERP CN(C)[C@@H]1CCC[N@@H+]([C@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000675053760 566415238 /nfs/dbraw/zinc/41/52/38/566415238.db2.gz LFBDSFCTAHHWMR-MELADBBJSA-N 2 0 239.407 1.530 10 0 BDAERP C[C@@H](F)CN1CCC[C@]12CCC[NH2+]C2 ZINC000757124888 582500148 /nfs/dbraw/zinc/50/01/48/582500148.db2.gz CLEGSSOTUQATHQ-MNOVXSKESA-N 2 0 200.301 1.562 10 0 BDAERP COCC[C@@H](C)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757133344 582509688 /nfs/dbraw/zinc/50/96/88/582509688.db2.gz HZBHRYYULRYSCJ-NEPJUHHUSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@@]12CCCN2CCC[NH+](C)C ZINC000757134845 582513109 /nfs/dbraw/zinc/51/31/09/582513109.db2.gz XEWJGSKIJOWZDZ-UONOGXRCSA-N 3 0 239.407 1.545 10 0 BDAERP CCCC1(CCC)[NH2+]CCC2(C[NH2+]C2)O1 ZINC000757145933 582528931 /nfs/dbraw/zinc/52/89/31/582528931.db2.gz IYLJAIFVFKZOBU-UHFFFAOYSA-N 2 0 212.337 1.635 10 0 BDAERP C[C@@H]1CC[NH2+]C[C@@H]1c1ccc(C[NH3+])cc1 ZINC000757216081 582560761 /nfs/dbraw/zinc/56/07/61/582560761.db2.gz PFBYKGZWLDSQQH-MFKMUULPSA-N 2 0 204.317 1.858 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757141593 586427485 /nfs/dbraw/zinc/42/74/85/586427485.db2.gz AIAXAALBPWKCSU-CYBMUJFWSA-N 2 0 224.348 1.731 10 0 BDAERP C[C@@H]1N[C@H](c2cccc(C[NH3+])c2)CC[C@H]1[NH3+] ZINC000757211814 586438916 /nfs/dbraw/zinc/43/89/16/586438916.db2.gz IUONSDWSEARGKW-BIMULSAOSA-N 2 0 219.332 1.286 10 0 BDAERP [NH3+]Cc1cccc([C@H]2C[C@@H](C[NH3+])CC[NH2+]2)c1 ZINC000757213837 586439966 /nfs/dbraw/zinc/43/99/66/586439966.db2.gz LZALTPZZDJCWND-WCQYABFASA-N 3 0 219.332 1.145 10 0 BDAERP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2ccc(C[NH3+])cc2)N1 ZINC000757214540 586440072 /nfs/dbraw/zinc/44/00/72/586440072.db2.gz MPKYWJCYNHTCOS-JIMOISOXSA-N 3 0 219.332 1.286 10 0 BDAERP c1cc([C@H]2CCC[NH2+]C2)cc2c1C[NH2+]CC2 ZINC000757215820 586440776 /nfs/dbraw/zinc/44/07/76/586440776.db2.gz OCAAFZKQEBWPJR-ZDUSSCGKSA-N 2 0 216.328 1.799 10 0 BDAERP [NH3+]C[C@@H]1CC[NH2+][C@H](c2ccc(C=O)s2)C1 ZINC000757218138 586441946 /nfs/dbraw/zinc/44/19/46/586441946.db2.gz UCXXZXRPNIWGCD-SCZZXKLOSA-N 2 0 224.329 1.560 10 0 BDAERP [NH3+]Cc1cc([C@@H]2NCCC[C@H]2[NH3+])ccc1C1CC1 ZINC000757231373 586443392 /nfs/dbraw/zinc/44/33/92/586443392.db2.gz HRTBSQRFHITOCN-CABCVRRESA-N 2 0 245.370 1.775 10 0 BDAERP [NH3+]Cc1cc([C@H]2CC[C@H]([NH3+])CN2)ccc1C1CC1 ZINC000757238179 586443913 /nfs/dbraw/zinc/44/39/13/586443913.db2.gz RQFQDJHTIWGZGP-DZGCQCFKSA-N 2 0 245.370 1.775 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1CC[C@H](CC[NH3+])C[NH2+]1 ZINC000757238487 586444236 /nfs/dbraw/zinc/44/42/36/586444236.db2.gz SBTWBSLXQQXFNE-RISCZKNCSA-N 2 0 233.359 1.967 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1[NH2+][C@H](C)CC[C@@H]1C[NH3+] ZINC000757238527 586444318 /nfs/dbraw/zinc/44/43/18/586444318.db2.gz SNBNPHHBLVWCQI-JTNHKYCSSA-N 2 0 233.359 1.965 10 0 BDAERP COc1cccnc1N1CCC[C@H](C[NH3+])C1 ZINC000127575762 590714360 /nfs/dbraw/zinc/71/43/60/590714360.db2.gz GKDXKEDGURAYSN-SNVBAGLBSA-N 2 0 221.304 1.265 10 0 BDAERP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000231979551 635507869 /nfs/dbraw/zinc/50/78/69/635507869.db2.gz DUELOWZNWWVVAT-CMPLNLGQSA-N 2 0 240.372 1.371 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C(C)(C)CO ZINC000052205518 632814220 /nfs/dbraw/zinc/81/42/20/632814220.db2.gz OCULTUAGFNMJRR-NSHDSACASA-N 2 0 214.353 1.221 10 0 BDAERP Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000310906891 633015695 /nfs/dbraw/zinc/01/56/95/633015695.db2.gz BURKJBAEZUDOJO-XBFCOCLRSA-N 2 0 248.374 1.684 10 0 BDAERP C[NH2+]C[C@H]1CCCCN1c1cc(C)nc(C)n1 ZINC000053706506 634327723 /nfs/dbraw/zinc/32/77/23/634327723.db2.gz RFBBFMLEKJXTFW-GFCCVEGCSA-N 2 0 234.347 1.672 10 0 BDAERP Oc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000162934843 635202465 /nfs/dbraw/zinc/20/24/65/635202465.db2.gz JFYUDUMCKAHFHD-LBPRGKRZSA-N 2 0 220.316 1.624 10 0 BDAERP CC(C)C[C@@H](O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000226076115 640727222 /nfs/dbraw/zinc/72/72/22/640727222.db2.gz ACPNTRASWZYKEU-VXGBXAGGSA-N 2 0 214.353 1.125 10 0 BDAERP C[N@H+](CCCCCCO)[C@@H]1CCC[NH2+]CC1 ZINC000231668158 641193026 /nfs/dbraw/zinc/19/30/26/641193026.db2.gz KFAGXLDWOUNETE-CYBMUJFWSA-N 2 0 228.380 1.613 10 0 BDAERP C[N@@H+]1CCC[C@H](c2cccc(C[NH3+])c2)C1 ZINC000075906444 641777823 /nfs/dbraw/zinc/77/78/23/641777823.db2.gz CLXSBNLXYMZNIK-ZDUSSCGKSA-N 2 0 204.317 1.955 10 0 BDAERP C[C@H]1C[C@H](c2ccc(N)c3c2CC[NH2+]C3)CC[NH2+]1 ZINC000757236342 643373284 /nfs/dbraw/zinc/37/32/84/643373284.db2.gz OIZNFBIEDNQGJZ-WDEREUQCSA-N 2 0 245.370 1.770 10 0 BDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH2+]C1CC1 ZINC000094459213 644717989 /nfs/dbraw/zinc/71/79/89/644717989.db2.gz CKMAEGOCMOTJNZ-GXTWGEPZSA-N 2 0 237.391 1.297 10 0 BDAERP OCc1c[nH+]ccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250166038 644748625 /nfs/dbraw/zinc/74/86/25/644748625.db2.gz JUBZYDHQTAOJEA-ZDUSSCGKSA-N 2 0 247.342 1.248 10 0 BDAERP CC[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251917074 644829986 /nfs/dbraw/zinc/82/99/86/644829986.db2.gz YEBJTXUOXGBRBZ-GRYCIOLGSA-N 2 0 212.337 1.225 10 0 BDAERP C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000709985118 712237336 /nfs/dbraw/zinc/23/73/36/712237336.db2.gz YDDZQIMKLHCLRF-AGIUHOORSA-N 2 0 208.349 1.860 10 0 BDAERP COCC1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000714005055 712476821 /nfs/dbraw/zinc/47/68/21/712476821.db2.gz GARGTVHMXHDDCX-LVFLEHKBSA-N 2 0 212.337 1.271 10 0 BDAERP C1=CO[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000380028103 712683246 /nfs/dbraw/zinc/68/32/46/712683246.db2.gz WRIOGXZMHXXOTF-RYUDHWBXSA-N 2 0 210.321 1.411 10 0 BDAERP C[C@@H]([NH2+]CCC1CC=CC1)[C@@H]1CC[NH2+]C1 ZINC000724133504 711564545 /nfs/dbraw/zinc/56/45/45/711564545.db2.gz ZNVCUYULTQTMOF-DGCLKSJQSA-N 2 0 208.349 1.930 10 0 BDAERP C([C@H]1CCCO1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257650259 711723236 /nfs/dbraw/zinc/72/32/36/711723236.db2.gz DBDUZJNHHDIYFS-OLZOCXBDSA-N 2 0 224.348 1.241 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@H]1CSCCS1 ZINC000229587894 711838453 /nfs/dbraw/zinc/83/84/53/711838453.db2.gz WJSWIJDGYVXLKH-JTQLQIEISA-N 2 0 232.418 1.177 10 0 BDAERP Cc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000708839367 712200765 /nfs/dbraw/zinc/20/07/65/712200765.db2.gz CWDHGJGCJISVIS-UONOGXRCSA-N 2 0 248.370 1.900 10 0 BDAERP COCC1CC([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000713957699 712475132 /nfs/dbraw/zinc/47/51/32/712475132.db2.gz BVTGAMDYIURQJK-UHFFFAOYSA-N 2 0 240.391 1.874 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H](C)[C@@H]2CCOC2)CC1 ZINC000714754393 712497982 /nfs/dbraw/zinc/49/79/82/712497982.db2.gz TVWBYZRRGIDOJH-VXGBXAGGSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000716527298 712566874 /nfs/dbraw/zinc/56/68/74/712566874.db2.gz BBKIILRVZIUPJQ-CLHCLYRXSA-N 2 0 222.376 1.866 10 0 BDAERP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CCN2CC ZINC000685955207 538900597 /nfs/dbraw/zinc/90/05/97/538900597.db2.gz WDHWSKYRWDIMJG-GFCCVEGCSA-N 2 0 225.380 1.284 10 0 BDAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCSC2 ZINC000685952688 538896962 /nfs/dbraw/zinc/89/69/62/538896962.db2.gz CBPPPMBIHPJTRS-MNOVXSKESA-N 2 0 214.378 1.694 10 0 BDAERP C[C@H]([C@H](C)[NH3+])[N@@H+]1CCS[C@H](C)CC1 ZINC000307515456 398174030 /nfs/dbraw/zinc/17/40/30/398174030.db2.gz MTMIRPQAXSJKSL-KXUCPTDWSA-N 2 0 202.367 1.550 10 0 BDAERP Cc1cc(N(C)C2CC[NH+](C)CC2)[nH+]cc1N ZINC000036250873 178097734 /nfs/dbraw/zinc/09/77/34/178097734.db2.gz DEWMFSJFXQHFPZ-UHFFFAOYSA-N 2 0 234.347 1.503 10 0 BDAERP C[NH+](C)Cc1ccc(C[NH3+])c2c1OC(F)(F)O2 ZINC000536958452 398199007 /nfs/dbraw/zinc/19/90/07/398199007.db2.gz LPPCXIXIVHFDKS-UHFFFAOYSA-N 2 0 244.241 1.528 10 0 BDAERP OCC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000303741074 187327349 /nfs/dbraw/zinc/32/73/49/187327349.db2.gz GXEWQRDYGFKVRH-CYBMUJFWSA-N 2 0 226.364 1.319 10 0 BDAERP CCc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000386661512 398214870 /nfs/dbraw/zinc/21/48/70/398214870.db2.gz VNJVALSIMWVNCQ-UHTWSYAYSA-N 2 0 248.374 1.152 10 0 BDAERP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCSCC2 ZINC000606283140 538929634 /nfs/dbraw/zinc/92/96/34/538929634.db2.gz VTGYVMGKESWHBC-JTQLQIEISA-N 2 0 214.378 1.694 10 0 BDAERP C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000164111547 538931351 /nfs/dbraw/zinc/93/13/51/538931351.db2.gz LANGQEVFDAMGFD-DGCLKSJQSA-N 2 0 242.407 1.713 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000070798620 361758227 /nfs/dbraw/zinc/75/82/27/361758227.db2.gz UTNWOJGRNGUCHA-VHSXEESVSA-N 2 0 200.351 1.033 10 0 BDAERP Cc1cc([C@@H](C)[NH3+])ccc1OCC[NH+](C)C ZINC000041241505 178220701 /nfs/dbraw/zinc/22/07/01/178220701.db2.gz XTNUYDYAQIQYPC-LLVKDONJSA-N 2 0 222.332 1.955 10 0 BDAERP CC[C@H](O)C[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000379924527 398243372 /nfs/dbraw/zinc/24/33/72/398243372.db2.gz KHAQXRUQNVTCGS-SDDRHHMPSA-N 2 0 214.353 1.076 10 0 BDAERP C[C@H]([NH2+]CCCCF)[C@@H]1CCC[NH2+]C1 ZINC000566088834 398253477 /nfs/dbraw/zinc/25/34/77/398253477.db2.gz VMYWBYMRGGJKEZ-WDEREUQCSA-N 2 0 202.317 1.714 10 0 BDAERP CCC(CC)[N@H+](CCO)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042499806 168373810 /nfs/dbraw/zinc/37/38/10/168373810.db2.gz JVFXVVFCPZUECI-OCCSQVGLSA-N 2 0 242.407 1.987 10 0 BDAERP C[NH+](C)[C@@H]1CCC[C@H](NC2CC[NH2+]CC2)C1 ZINC000335517355 398290270 /nfs/dbraw/zinc/29/02/70/398290270.db2.gz JSVMOFIFOKYWDK-QWHCGFSZSA-N 2 0 225.380 1.201 10 0 BDAERP CC[N@H+]1C[C@H](Nc2cc[nH+]cc2C)[C@@H](C)C1 ZINC000390657441 539027087 /nfs/dbraw/zinc/02/70/87/539027087.db2.gz RFXFFKWGPXUOFG-AAEUAGOBSA-N 2 0 219.332 1.564 10 0 BDAERP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2C)C1 ZINC000390657831 539027100 /nfs/dbraw/zinc/02/71/00/539027100.db2.gz RFXFFKWGPXUOFG-YPMHNXCESA-N 2 0 219.332 1.564 10 0 BDAERP c1ccc2c(c1)C[C@H]2C[NH2+]C1CC[NH2+]CC1 ZINC000038041448 398335786 /nfs/dbraw/zinc/33/57/86/398335786.db2.gz DVLNXSDQLSWZPM-LBPRGKRZSA-N 2 0 216.328 1.668 10 0 BDAERP C[C@H]([NH3+])c1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000142068391 398343781 /nfs/dbraw/zinc/34/37/81/398343781.db2.gz DHPURYZSYLASRT-UPJWGTAASA-N 2 0 247.386 1.889 10 0 BDAERP C[NH+](C)C(C)(C)CNC1=[NH+]CCCS1 ZINC000043411998 343066570 /nfs/dbraw/zinc/06/65/70/343066570.db2.gz QLDUVVWTFYGHOO-UHFFFAOYSA-N 2 0 215.366 1.409 10 0 BDAERP C[NH+](C)CCOc1ccc(CC(N)=[NH2+])cc1 ZINC000019474513 187252794 /nfs/dbraw/zinc/25/27/94/187252794.db2.gz GMRPAEKZAQCVDE-UHFFFAOYSA-N 2 0 221.304 1.105 10 0 BDAERP CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH3+] ZINC000019280097 187251661 /nfs/dbraw/zinc/25/16/61/187251661.db2.gz XNCKYPANXYTZCU-CYBMUJFWSA-N 2 0 222.332 1.217 10 0 BDAERP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000034781513 343278521 /nfs/dbraw/zinc/27/85/21/343278521.db2.gz QSJGZIHOPCJDNN-OLZOCXBDSA-N 2 0 202.301 1.610 10 0 BDAERP CC(C)[NH+]1CCN([C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000036170974 187259119 /nfs/dbraw/zinc/25/91/19/187259119.db2.gz GMIIDQRUYCCXGM-ZIAGYGMSSA-N 2 0 239.407 1.672 10 0 BDAERP C/[NH+]=c1/ccccc2c(CC[NH3+])c(C)[nH]c21 ZINC000045809119 343534898 /nfs/dbraw/zinc/53/48/98/343534898.db2.gz LDAUBDWSWAEVFU-QINSGFPZSA-N 2 0 215.300 1.508 10 0 BDAERP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CCN2C(C)C ZINC000712039947 537783874 /nfs/dbraw/zinc/78/38/74/537783874.db2.gz IGJQSSNTHVGPGC-CYBMUJFWSA-N 3 0 239.407 1.672 10 0 BDAERP CC(C)[NH+]1CCN([C@](C)(C[NH3+])C(C)C)CC1 ZINC000041053666 187263889 /nfs/dbraw/zinc/26/38/89/187263889.db2.gz BHUSQPHNFKXXJT-CYBMUJFWSA-N 2 0 227.396 1.386 10 0 BDAERP COc1ccc([C@H](C[NH3+])CC[NH3+])cc1OC ZINC000041244614 187265240 /nfs/dbraw/zinc/26/52/40/187265240.db2.gz KFBRCSRGYAGAOE-JTQLQIEISA-N 2 0 224.304 1.095 10 0 BDAERP CC(C)(C)[NH+]1CCN([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000042461990 187266076 /nfs/dbraw/zinc/26/60/76/187266076.db2.gz VEJDIXUFYRDEDC-NEPJUHHUSA-N 2 0 225.380 1.282 10 0 BDAERP CC(C)[N@H+](CCCO)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042508071 187266114 /nfs/dbraw/zinc/26/61/14/187266114.db2.gz YWHWUWLXNDTSOA-UHFFFAOYSA-N 2 0 249.358 1.563 10 0 BDAERP CN([C@@H](C[NH3+])C(C)(C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000053205483 187271385 /nfs/dbraw/zinc/27/13/85/187271385.db2.gz LHDQTZFXXXWALW-NEPJUHHUSA-N 2 0 227.396 1.386 10 0 BDAERP CCOC[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1C ZINC000409435586 343834272 /nfs/dbraw/zinc/83/42/72/343834272.db2.gz VLVWIBMQTBAGLV-VXGBXAGGSA-N 2 0 226.364 1.343 10 0 BDAERP CCOC[C@H]1C[N@H+](CCC[NH3+])CC12CCC2 ZINC000409435871 343839885 /nfs/dbraw/zinc/83/98/85/343839885.db2.gz XAKOBKNJORRMEA-GFCCVEGCSA-N 2 0 226.364 1.474 10 0 BDAERP Cc1[nH+]c(CN2CCC[NH2+]CC2)c2ccccn12 ZINC000409439766 343848441 /nfs/dbraw/zinc/84/84/41/343848441.db2.gz IHOPQZTXRFXBLT-UHFFFAOYSA-N 2 0 244.342 1.438 10 0 BDAERP COC1CC(N(CC[NH3+])Cc2ccccc2)C1 ZINC000234604162 344155755 /nfs/dbraw/zinc/15/57/55/344155755.db2.gz PKKRVWAHGJFRBR-UHFFFAOYSA-N 2 0 234.343 1.625 10 0 BDAERP C[C@@H]1CC[N@@H+]([C@@]2(CN)CCSC2)C1 ZINC000226756649 344685604 /nfs/dbraw/zinc/68/56/04/344685604.db2.gz QDWJCWZVZIOOBA-NXEZZACHSA-N 2 0 200.351 1.163 10 0 BDAERP CSC1(C[N@@H+]2CCC[NH2+]CC2)CCC1 ZINC000235051229 344753899 /nfs/dbraw/zinc/75/38/99/344753899.db2.gz JPUSTQBRTRXDCL-UHFFFAOYSA-N 2 0 214.378 1.567 10 0 BDAERP CC(C)(C)Oc1ccc([C@H](N)C[NH3+])cc1 ZINC000044472633 187293037 /nfs/dbraw/zinc/29/30/37/187293037.db2.gz NQQYIZSQLZTLCV-LLVKDONJSA-N 2 0 208.305 1.822 10 0 BDAERP CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000675053491 537865942 /nfs/dbraw/zinc/86/59/42/537865942.db2.gz LFBDSFCTAHHWMR-BFHYXJOUSA-N 2 0 239.407 1.530 10 0 BDAERP CS[C@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000235266855 344864061 /nfs/dbraw/zinc/86/40/61/344864061.db2.gz JETIVIALQULFCH-MNOVXSKESA-N 2 0 214.378 1.612 10 0 BDAERP Cc1ccc([C@H](N)C[NH3+])c(Br)c1 ZINC000044472394 345090212 /nfs/dbraw/zinc/09/02/12/345090212.db2.gz ZFCPVQHZXZPSHV-SECBINFHSA-N 2 0 229.121 1.716 10 0 BDAERP C([NH2+]C1CCCC1)[C@H]1CSCCN1 ZINC000127079666 345155461 /nfs/dbraw/zinc/15/54/61/345155461.db2.gz QUEHZKOOTJLHNY-JTQLQIEISA-N 2 0 200.351 1.224 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCC12CC2)[C@H]1CC[NH2+]C1 ZINC000634998697 345198195 /nfs/dbraw/zinc/19/81/95/345198195.db2.gz JKSPPFUNVHNUOV-SRVKXCTJSA-N 2 0 208.349 1.907 10 0 BDAERP COc1cc(CC[NH3+])ccc1C[NH+]1CCCC1 ZINC000140519639 345855652 /nfs/dbraw/zinc/85/56/52/345855652.db2.gz DUNRVWWMEJBGSG-UHFFFAOYSA-N 2 0 234.343 1.792 10 0 BDAERP COc1ccc2c(c1)C=C(C[C@H]([NH3+])CN)CC2 ZINC000141853695 345856588 /nfs/dbraw/zinc/85/65/88/345856588.db2.gz SIBCVZVOPLLICP-ZDUSSCGKSA-N 2 0 232.327 1.701 10 0 BDAERP CC(C)[C@@](C)(C[NH3+])[N@@H+]1CCCOCC1 ZINC000061916506 346180010 /nfs/dbraw/zinc/18/00/10/346180010.db2.gz UCRKOCHMPSENAX-LLVKDONJSA-N 2 0 200.326 1.082 10 0 BDAERP C[C@@H](C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377898 537966519 /nfs/dbraw/zinc/96/65/19/537966519.db2.gz ZIQQSXSZORIRHV-ZFWWWQNUSA-N 2 0 248.370 1.608 10 0 BDAERP C[N@H+]([C@@H]1CCSC1)[C@H]1CCC[C@@H]1[NH3+] ZINC000250430503 362803999 /nfs/dbraw/zinc/80/39/99/362803999.db2.gz QZJNARKNPAPNKJ-UTLUCORTSA-N 2 0 200.351 1.304 10 0 BDAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCSC2)C1 ZINC000250770547 362819447 /nfs/dbraw/zinc/81/94/47/362819447.db2.gz UTNWOJGRNGUCHA-ZJUUUORDSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@@H]1C[C@@H](c2cc(C[NH3+])ccc2N)CC[NH2+]1 ZINC000669380465 537990023 /nfs/dbraw/zinc/99/00/23/537990023.db2.gz NWVDOYZDTNVWBI-KOLCDFICSA-N 2 0 219.332 1.583 10 0 BDAERP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](C)O ZINC000054023285 179325069 /nfs/dbraw/zinc/32/50/69/179325069.db2.gz HOWLKHLXGZTFGM-OCCSQVGLSA-N 2 0 236.359 1.698 10 0 BDAERP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000043033350 179328296 /nfs/dbraw/zinc/32/82/96/179328296.db2.gz TWHAYDSODRLVJD-UKRRQHHQSA-N 2 0 247.386 1.631 10 0 BDAERP C[C@H]([NH3+])CC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251631538 362893705 /nfs/dbraw/zinc/89/37/05/362893705.db2.gz IKWXJSOTYQNMST-UWVGGRQHSA-N 2 0 200.326 1.223 10 0 BDAERP Cc1[nH]c2ccc(NCCC[NH3+])cc2[nH+]1 ZINC000082593195 180093704 /nfs/dbraw/zinc/09/37/04/180093704.db2.gz MJAYYUKBFNUZMB-UHFFFAOYSA-N 2 0 204.277 1.632 10 0 BDAERP CNC(=[NH2+])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000306719109 350880522 /nfs/dbraw/zinc/88/05/22/350880522.db2.gz JXPDSXSQRXXRRK-DGCLKSJQSA-N 2 0 246.358 1.251 10 0 BDAERP [NH3+]CCN1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000616633871 351116338 /nfs/dbraw/zinc/11/63/38/351116338.db2.gz FWMWQJPKXFOYEL-LBPRGKRZSA-N 2 0 239.750 1.245 10 0 BDAERP C[NH2+][C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616675213 351242984 /nfs/dbraw/zinc/24/29/84/351242984.db2.gz PFUWUKFGZVZHDJ-LLVKDONJSA-N 2 0 205.305 1.116 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(F)cc1Cl ZINC000306889512 351299047 /nfs/dbraw/zinc/29/90/47/351299047.db2.gz UCTSVUWMUAYRRH-VIFPVBQESA-N 2 0 202.660 1.828 10 0 BDAERP CCCN1CC[C@@H](NC2=[NH+]CCS2)C1 ZINC000306878452 351272030 /nfs/dbraw/zinc/27/20/30/351272030.db2.gz IOPJVEPVFJDBAV-SECBINFHSA-N 2 0 213.350 1.163 10 0 BDAERP CS[C@H]1CCN([C@@H]2CCCC[NH2+]C2)C1 ZINC000307254987 351790807 /nfs/dbraw/zinc/79/08/07/351790807.db2.gz YZBJLLJZRPNTRA-MNOVXSKESA-N 2 0 214.378 1.566 10 0 BDAERP [NH3+][C@@H]1CC12CCC([N@@H+]1CCC[C@@H](CO)C1)CC2 ZINC000725270444 538102346 /nfs/dbraw/zinc/10/23/46/538102346.db2.gz NAFFQNMCSRCWNF-NELGMTEASA-N 2 0 238.375 1.351 10 0 BDAERP C[C@@H]1CSCC[N@@H+]([C@H]2CC[C@@H]2C[NH3+])C1 ZINC000307461974 352611210 /nfs/dbraw/zinc/61/12/10/352611210.db2.gz GAATWQHDLFUULT-AXFHLTTASA-N 2 0 214.378 1.409 10 0 BDAERP CO[C@H](CC[NH3+])C[N@H+](C)Cc1ccccc1 ZINC000307490971 352621290 /nfs/dbraw/zinc/62/12/90/352621290.db2.gz GDRUQNSHAJTMFC-CYBMUJFWSA-N 2 0 222.332 1.482 10 0 BDAERP C[C@@H]1COC[C@H](C)[N@H+]1CCC1CC[NH2+]CC1 ZINC000334602935 354282740 /nfs/dbraw/zinc/28/27/40/354282740.db2.gz UFIHKPLMAZRZFS-TXEJJXNPSA-N 2 0 226.364 1.485 10 0 BDAERP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379455767 358489226 /nfs/dbraw/zinc/48/92/26/358489226.db2.gz SFXZALKFGXFMOL-LLVKDONJSA-N 2 0 214.353 1.077 10 0 BDAERP C[C@H](CCCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000582175389 355578067 /nfs/dbraw/zinc/57/80/67/355578067.db2.gz CURQQHGGNRPGRM-UPJWGTAASA-N 2 0 228.380 1.373 10 0 BDAERP CCN1CC[C@@H]([NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000389167032 355742349 /nfs/dbraw/zinc/74/23/49/355742349.db2.gz MUGCZAIIAOLZBE-LLVKDONJSA-N 2 0 222.336 1.210 10 0 BDAERP COCC[NH2+]C[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675051077 538473650 /nfs/dbraw/zinc/47/36/50/538473650.db2.gz KGACHSMWHHYVLL-UONOGXRCSA-N 2 0 240.391 1.638 10 0 BDAERP C[NH+](C)[C@@H]1CCCN(CC23CCC(CC2)[NH2+]3)C1 ZINC000675056672 538478812 /nfs/dbraw/zinc/47/88/12/538478812.db2.gz UYTLHQVLXCDRIZ-ROKHWSDSSA-N 2 0 237.391 1.297 10 0 BDAERP CC(C)[NH+](C[C@@H]1OC(=O)CC12C[NH2+]C2)C(C)C ZINC000675075994 538510483 /nfs/dbraw/zinc/51/04/83/538510483.db2.gz YGQMLLWSWAVSKN-NSHDSACASA-N 2 0 240.347 1.010 10 0 BDAERP CC(C)[N@H+](C)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080493 538519446 /nfs/dbraw/zinc/51/94/46/538519446.db2.gz RVBNTZBVYFGHSR-QWRGUYRKSA-N 2 0 212.337 1.223 10 0 BDAERP Cc1cccc(NC[C@H]2C[NH2+]CCCO2)n1 ZINC000389898111 357062784 /nfs/dbraw/zinc/06/27/84/357062784.db2.gz NEAGOBAPDOAGBM-LLVKDONJSA-N 2 0 221.304 1.180 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCSC1 ZINC000168830609 357246800 /nfs/dbraw/zinc/24/68/00/357246800.db2.gz SAYLLDLONJIPQJ-KXUCPTDWSA-N 2 0 200.351 1.304 10 0 BDAERP CO[C@@H]1CCC[N@@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685951386 538894683 /nfs/dbraw/zinc/89/46/83/538894683.db2.gz RUUZHICKVWVEAJ-IJLUTSLNSA-N 2 0 226.364 1.341 10 0 BDAERP CCOC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(C)C ZINC000233788235 357749225 /nfs/dbraw/zinc/74/92/25/357749225.db2.gz GPJWIWIEMHKMDJ-OLZOCXBDSA-N 2 0 228.380 1.779 10 0 BDAERP CC[C@H](O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000584612570 358275634 /nfs/dbraw/zinc/27/56/34/358275634.db2.gz BGRIBZLCNWYISV-ZDUSSCGKSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1[C@H]1CCSC1 ZINC000252689741 366412645 /nfs/dbraw/zinc/41/26/45/366412645.db2.gz SAYLLDLONJIPQJ-BBBLOLIVSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1COC[C@H](C)N1CC[C@H]1CCC[N@@H+]1C ZINC000246747050 359161488 /nfs/dbraw/zinc/16/14/88/359161488.db2.gz HNZMBZMJZLAVPZ-FRRDWIJNSA-N 2 0 226.364 1.580 10 0 BDAERP C[C@H]1SCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000306489449 360178417 /nfs/dbraw/zinc/17/84/17/360178417.db2.gz LMJANJNMQRYJTC-PSASIEDQSA-N 2 0 200.351 1.222 10 0 BDAERP CC(C)C[C@H](C[NH2+]C1CCC([NH3+])CC1)N(C)C ZINC000094075596 360295786 /nfs/dbraw/zinc/29/57/86/360295786.db2.gz WSNQVSNIYLRJMT-JXQTWKCFSA-N 2 0 241.423 1.822 10 0 BDAERP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000578979044 366684525 /nfs/dbraw/zinc/68/45/25/366684525.db2.gz LHVCJIRJOAHCRI-DMDPSCGWSA-N 2 0 226.364 1.125 10 0 BDAERP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)OCC ZINC000629515054 361113231 /nfs/dbraw/zinc/11/32/31/361113231.db2.gz PZZBKGYBMCVHCU-JHJVBQTASA-N 2 0 228.380 1.779 10 0 BDAERP [NH3+]C1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000622043525 370674161 /nfs/dbraw/zinc/67/41/61/370674161.db2.gz CTGHXQQMWKHFLJ-IDKOKCKLSA-N 2 0 218.291 1.891 10 0 BDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379735525 361574151 /nfs/dbraw/zinc/57/41/51/361574151.db2.gz JAVFMMGVTICWII-NEPJUHHUSA-N 2 0 210.321 1.050 10 0 BDAERP [NH3+]C1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000061147529 181341533 /nfs/dbraw/zinc/34/15/33/181341533.db2.gz ZNCRXZDEEBKNQK-CXQJBGSLSA-N 2 0 212.337 1.130 10 0 BDAERP C[C@H](C[NH+](C)C)NC1=[NH+][C@H](C)CS1 ZINC000130674549 364016443 /nfs/dbraw/zinc/01/64/43/364016443.db2.gz QBQVVXDPBZPXOR-HTQZYQBOSA-N 2 0 201.339 1.017 10 0 BDAERP C[NH2+]CCOCCNc1cc(C)cc[nH+]1 ZINC000630529567 364217466 /nfs/dbraw/zinc/21/74/66/364217466.db2.gz AJTGGHWDTNBXBW-UHFFFAOYSA-N 2 0 209.293 1.038 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCCSCC2)CCOCC1 ZINC000052197960 181358587 /nfs/dbraw/zinc/35/85/87/181358587.db2.gz DLOWMCALPAIUBT-UHFFFAOYSA-N 2 0 244.404 1.181 10 0 BDAERP [NH3+]CC1(C[NH+]2CCSCC2)CCCC1 ZINC000051214312 181358905 /nfs/dbraw/zinc/35/89/05/181358905.db2.gz BXOFZDDQUGVHAC-UHFFFAOYSA-N 2 0 214.378 1.554 10 0 BDAERP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087048173 541371624 /nfs/dbraw/zinc/37/16/24/541371624.db2.gz VHMWAHPCDJFPQT-LPWJVIDDSA-N 2 0 226.364 1.756 10 0 BDAERP [NH3+]CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000041652818 181383015 /nfs/dbraw/zinc/38/30/15/181383015.db2.gz QUQBHTBDUWNMTA-UHFFFAOYSA-N 2 0 230.315 1.515 10 0 BDAERP C[C@H](CC[NH+](C)C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576209063 365522230 /nfs/dbraw/zinc/52/22/30/365522230.db2.gz OJKYJZPVXVLEMT-JHJVBQTASA-N 2 0 227.396 1.304 10 0 BDAERP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000581661076 367661613 /nfs/dbraw/zinc/66/16/13/367661613.db2.gz JAWFUAKRVNVRTO-WYUUTHIRSA-N 2 0 228.405 1.716 10 0 BDAERP OC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000386305910 367948034 /nfs/dbraw/zinc/94/80/34/367948034.db2.gz WEDPFBQXMCQLEB-KGLIPLIRSA-N 2 0 240.391 1.659 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CC[C@H]2C[NH3+])CCS1 ZINC000252982957 368179005 /nfs/dbraw/zinc/17/90/05/368179005.db2.gz YPJSJJBXXBTJEN-UTLUCORTSA-N 2 0 200.351 1.161 10 0 BDAERP C[NH+]1CCC(Oc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000118604392 368345214 /nfs/dbraw/zinc/34/52/14/368345214.db2.gz RRHKHQSEOPKHHR-UHFFFAOYSA-N 2 0 232.327 1.763 10 0 BDAERP CC[C@](C)(C[NH3+])[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000253056320 368418301 /nfs/dbraw/zinc/41/83/01/368418301.db2.gz ARJOZHQLOALTMG-GMTAPVOTSA-N 2 0 216.394 1.940 10 0 BDAERP OCCN1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000108057253 369372927 /nfs/dbraw/zinc/37/29/27/369372927.db2.gz BPQBFYJPBDGSLS-CQSZACIVSA-N 2 0 234.343 1.233 10 0 BDAERP C[C@H]1C[N@H+](C[Si](C)(C)C)CC[C@H]1[NH3+] ZINC000401638614 371796382 /nfs/dbraw/zinc/79/63/82/371796382.db2.gz GODILJJHBWUOJY-VHSXEESVSA-N 2 0 200.402 1.533 10 0 BDAERP C[C@@H]1SCC[N@H+](CC2C[NH2+]C2)[C@H]1C ZINC000132513390 371847801 /nfs/dbraw/zinc/84/78/01/371847801.db2.gz RTYGXWTZAGWPCR-IUCAKERBSA-N 2 0 200.351 1.032 10 0 BDAERP Cc1nccn1CCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837785 372629813 /nfs/dbraw/zinc/62/98/13/372629813.db2.gz FMFIYEACABBTIO-AAEUAGOBSA-N 2 0 236.363 1.108 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000631838709 372634299 /nfs/dbraw/zinc/63/42/99/372634299.db2.gz TXUDBDPKQUAAEV-JQWIXIFHSA-N 2 0 205.305 1.108 10 0 BDAERP COc1ccc(CC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842785 372641782 /nfs/dbraw/zinc/64/17/82/372641782.db2.gz FSDDHOORHKTCAZ-OCCSQVGLSA-N 2 0 248.370 1.764 10 0 BDAERP O[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128944102 183224913 /nfs/dbraw/zinc/22/49/13/183224913.db2.gz OFOYHEZLQGIHIM-UONOGXRCSA-N 2 0 234.343 1.452 10 0 BDAERP CCC[N@H+]([C@@H]1CCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000037690833 169092236 /nfs/dbraw/zinc/09/22/36/169092236.db2.gz VUKUOEUJVSPLEC-OLZOCXBDSA-N 2 0 226.364 1.364 10 0 BDAERP CCCN(CC[NH+](C)C)c1ccccc1C[NH3+] ZINC000045661340 169157209 /nfs/dbraw/zinc/15/72/09/169157209.db2.gz GLYFPFLFXMOWFR-UHFFFAOYSA-N 2 0 235.375 1.923 10 0 BDAERP CCCN(CC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000104330917 169158997 /nfs/dbraw/zinc/15/89/97/169158997.db2.gz WWUFQZRUFSLGKK-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP CCC[NH+]1CCN(CC[NH2+]CCC(C)C)CC1 ZINC000053344719 169202736 /nfs/dbraw/zinc/20/27/36/169202736.db2.gz JZTMTZNFCOQOFP-UHFFFAOYSA-N 2 0 241.423 1.650 10 0 BDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccco2)CC1 ZINC000022168975 169203726 /nfs/dbraw/zinc/20/37/26/169203726.db2.gz ARWFOPSNNYBLIJ-GFCCVEGCSA-N 2 0 237.347 1.307 10 0 BDAERP CCC[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000053659391 169257025 /nfs/dbraw/zinc/25/70/25/169257025.db2.gz XHZYMUQAVKOUTK-UHFFFAOYSA-N 2 0 227.396 1.260 10 0 BDAERP CCC[NH2+][C@H](C)CCN1CCC[C@@H]1C[NH+](C)C ZINC000061643767 169285889 /nfs/dbraw/zinc/28/58/89/169285889.db2.gz OQHRJAIWQAWMJI-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972844 169263545 /nfs/dbraw/zinc/26/35/45/169263545.db2.gz MYWAQYQRMRZNMO-KBPBESRZSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH2+]C[C@H](CC)N(C)CC[NH+]1CCCC1 ZINC000063054182 169263708 /nfs/dbraw/zinc/26/37/08/169263708.db2.gz WTZSRLAYCRQUDG-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+][C@@H](CC)CN(C)CC[NH+]1CCCC1 ZINC000063051741 169278453 /nfs/dbraw/zinc/27/84/53/169278453.db2.gz UGBBCHKRBYDEIB-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+][C@H]1CCCC[C@H]1C[N@H+](CC)CCO ZINC000053858513 169291051 /nfs/dbraw/zinc/29/10/51/169291051.db2.gz ZBQPPKUBDOXSCS-KBPBESRZSA-N 2 0 242.407 1.859 10 0 BDAERP CCC[C@@H](C[NH3+])N1CC[NH+](C[C@@H](C)CC)CC1 ZINC000104068082 169383744 /nfs/dbraw/zinc/38/37/44/169383744.db2.gz GFYBOTDSUXQTSP-KBPBESRZSA-N 2 0 241.423 1.778 10 0 BDAERP OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000224121191 134341886 /nfs/dbraw/zinc/34/18/86/134341886.db2.gz KRYRYTARVGMLCE-FRRDWIJNSA-N 2 0 226.364 1.269 10 0 BDAERP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000068590924 384003064 /nfs/dbraw/zinc/00/30/64/384003064.db2.gz CZRLDAXSBGABDL-ZIAGYGMSSA-N 2 0 218.344 1.946 10 0 BDAERP C[C@H](C[NH3+])Nc1cc[nH+]c2ccccc12 ZINC000082576314 384239122 /nfs/dbraw/zinc/23/91/22/384239122.db2.gz KIEOUMPFNGJDLW-SECBINFHSA-N 2 0 201.273 1.994 10 0 BDAERP c1[nH+]c(C2CC[NH2+]CC2)n2ccccc12 ZINC000020263374 384606465 /nfs/dbraw/zinc/60/64/65/384606465.db2.gz SUVILMOUYVHPTR-UHFFFAOYSA-N 2 0 201.273 1.801 10 0 BDAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])[C@H]1CCCO1 ZINC000011848806 384621256 /nfs/dbraw/zinc/62/12/56/384621256.db2.gz LFSUZAFAKHQISJ-OLZOCXBDSA-N 2 0 237.347 1.229 10 0 BDAERP CC(C)CSCC[NH2+]C1CC[NH2+]CC1 ZINC000397374003 385149468 /nfs/dbraw/zinc/14/94/68/385149468.db2.gz QOERBUVSDRLELW-UHFFFAOYSA-N 2 0 216.394 1.717 10 0 BDAERP C([C@@H]1CCCSC1)[N@@H+]1CCC[NH2+]CC1 ZINC000258148518 385545293 /nfs/dbraw/zinc/54/52/93/385545293.db2.gz NCODKDSCCYBXHK-NSHDSACASA-N 2 0 214.378 1.425 10 0 BDAERP CC[C@@H](C[NH2+]C1CCC([NH3+])CC1)OC ZINC000336681716 385633845 /nfs/dbraw/zinc/63/38/45/385633845.db2.gz HKTDGHAJHQOUTK-ILDUYXDCSA-N 2 0 200.326 1.271 10 0 BDAERP C[C@H]1CC[C@H]([NH2+]C2CC([NH3+])C2)CS1 ZINC000575535218 385902267 /nfs/dbraw/zinc/90/22/67/385902267.db2.gz RUKYQHDISYENCR-FMLYDFSMSA-N 2 0 200.351 1.350 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000336666434 386293088 /nfs/dbraw/zinc/29/30/88/386293088.db2.gz GGBZFZRKLREURN-LBPRGKRZSA-N 2 0 226.364 1.175 10 0 BDAERP C[C@]1(C2CC[NH2+]CC2)[NH2+]CCCS1 ZINC000306893500 386520356 /nfs/dbraw/zinc/52/03/56/386520356.db2.gz JPDKALJYCQVSKR-JTQLQIEISA-N 2 0 200.351 1.429 10 0 BDAERP C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCSC1 ZINC000051889930 386577572 /nfs/dbraw/zinc/57/75/72/386577572.db2.gz WDEVTXFLMOBNIE-VHSXEESVSA-N 2 0 200.351 1.033 10 0 BDAERP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000335497284 386620986 /nfs/dbraw/zinc/62/09/86/386620986.db2.gz SPIKXAASTHEHQI-LLVKDONJSA-N 2 0 208.349 1.908 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CCO)C1 ZINC000228349670 387083578 /nfs/dbraw/zinc/08/35/78/387083578.db2.gz JQRICNAUWKGZMH-KBPBESRZSA-N 2 0 240.391 1.565 10 0 BDAERP CC(=O)Nc1ccc([C@H]([NH3+])CCC[NH3+])cc1 ZINC000575438149 387117512 /nfs/dbraw/zinc/11/75/12/387117512.db2.gz DILBNDSGWCKAKR-GFCCVEGCSA-N 2 0 221.304 1.384 10 0 BDAERP COc1ccc([C@H]([NH3+])CCCC[NH3+])cc1 ZINC000575439426 387124439 /nfs/dbraw/zinc/12/44/39/387124439.db2.gz KIRRNZMDKAQJEZ-GFCCVEGCSA-N 2 0 208.305 1.824 10 0 BDAERP COc1cc(O)ccc1[C@H]([NH3+])CCC[NH3+] ZINC000575439912 387125333 /nfs/dbraw/zinc/12/53/33/387125333.db2.gz NYQAHOBKVSDNGJ-SNVBAGLBSA-N 2 0 210.277 1.140 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1cccc2c1OCO2 ZINC000575440010 387127420 /nfs/dbraw/zinc/12/74/20/387127420.db2.gz RDQOWFIQTNGPMT-SECBINFHSA-N 2 0 208.261 1.154 10 0 BDAERP Cc1cc([C@@H]([NH3+])CCC[NH3+])cc(C)c1O ZINC000575440187 387128199 /nfs/dbraw/zinc/12/81/99/387128199.db2.gz MUSJIAKDDPEESN-NSHDSACASA-N 2 0 208.305 1.748 10 0 BDAERP COc1c(Cl)cc(C[NH3+])cc1C[NH3+] ZINC000575601506 387360105 /nfs/dbraw/zinc/36/01/05/387360105.db2.gz CLQKHXUTSHVRSZ-UHFFFAOYSA-N 2 0 200.669 1.266 10 0 BDAERP C[C@@H]([NH2+]CCCOC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000643488129 387362431 /nfs/dbraw/zinc/36/24/31/387362431.db2.gz HJHQVTCGPWTYSL-NXEZZACHSA-N 2 0 236.306 1.593 10 0 BDAERP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)o1 ZINC000515053331 387326564 /nfs/dbraw/zinc/32/65/64/387326564.db2.gz OKCVXBXLRHOVIW-GFCCVEGCSA-N 2 0 222.332 1.862 10 0 BDAERP Cc1[nH+]ccc(NC2(C)C[NH2+]C2)c1Cl ZINC000306572126 387427938 /nfs/dbraw/zinc/42/79/38/387427938.db2.gz HKIIFMMARAGJHQ-UHFFFAOYSA-N 2 0 211.696 1.817 10 0 BDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[C@H]1O ZINC000352669584 387431886 /nfs/dbraw/zinc/43/18/86/387431886.db2.gz BBJDJFMQACOZJA-HZSPNIEDSA-N 2 0 240.391 1.706 10 0 BDAERP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643454660 387385374 /nfs/dbraw/zinc/38/53/74/387385374.db2.gz LDXCZWQCGPSSJG-XQQFMLRXSA-N 2 0 237.391 1.201 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000300409711 387520160 /nfs/dbraw/zinc/52/01/60/387520160.db2.gz NSCJJIJRVKNILN-KGLIPLIRSA-N 2 0 248.374 1.408 10 0 BDAERP CS[C@H]1CC[C@H]1N1CCC[NH2+]CC1 ZINC000575548365 387645594 /nfs/dbraw/zinc/64/55/94/387645594.db2.gz CXJVEWXICQFEPO-ZJUUUORDSA-N 2 0 200.351 1.176 10 0 BDAERP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000422839621 387729503 /nfs/dbraw/zinc/72/95/03/387729503.db2.gz QWVWDGJRQDMABL-BFHYXJOUSA-N 2 0 239.407 1.591 10 0 BDAERP CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422972459 387821372 /nfs/dbraw/zinc/82/13/72/387821372.db2.gz LRDTVWHCKMXJNO-MGPQQGTHSA-N 2 0 239.407 1.306 10 0 BDAERP C[N@H+]1C[C@H]2CN(CCc3ccccn3)C[C@H]2C1 ZINC000193645119 387860525 /nfs/dbraw/zinc/86/05/25/387860525.db2.gz DWRVRPNVMQPPPO-BETUJISGSA-N 2 0 231.343 1.118 10 0 BDAERP Cc1cccnc1CCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423158960 387938655 /nfs/dbraw/zinc/93/86/55/387938655.db2.gz XOMZWGYBFOPDQX-KGLIPLIRSA-N 2 0 247.386 1.910 10 0 BDAERP Cc1cccnc1CCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423158963 387939670 /nfs/dbraw/zinc/93/96/70/387939670.db2.gz XOMZWGYBFOPDQX-ZIAGYGMSSA-N 2 0 247.386 1.910 10 0 BDAERP [NH3+]C1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000392289328 387949397 /nfs/dbraw/zinc/94/93/97/387949397.db2.gz MWLBMYYQHUCXRF-UHFFFAOYSA-N 2 0 223.364 1.108 10 0 BDAERP CCC[C@H](C[NH2+]C1CCC([NH3+])CC1)OC ZINC000356337508 388547735 /nfs/dbraw/zinc/54/77/35/388547735.db2.gz PWXFNDWBLWIZKW-HTAVTVPLSA-N 2 0 214.353 1.661 10 0 BDAERP CC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517024011 388533851 /nfs/dbraw/zinc/53/38/51/388533851.db2.gz NFKPRWYLBIBPCO-YNEHKIRRSA-N 2 0 228.380 1.373 10 0 BDAERP C[C@H]([NH2+][C@H]1COCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000566088990 388986128 /nfs/dbraw/zinc/98/61/28/388986128.db2.gz XZEAJAATBPJTHD-TUAOUCFPSA-N 2 0 226.364 1.389 10 0 BDAERP CC[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000020075600 132329236 /nfs/dbraw/zinc/32/92/36/132329236.db2.gz HHDQTYHVVQRHNQ-UHFFFAOYSA-N 2 0 219.332 1.287 10 0 BDAERP C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400485076 533357608 /nfs/dbraw/zinc/35/76/08/533357608.db2.gz XDOXMLLOCDIMOM-GHMZBOCLSA-N 2 0 208.349 1.764 10 0 BDAERP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+]C1 ZINC000400741203 533452430 /nfs/dbraw/zinc/45/24/30/533452430.db2.gz SVXUIZKCCNNXDO-PWSUYJOCSA-N 2 0 248.326 1.503 10 0 BDAERP C[C@@H]([NH2+]CCOC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400355981 533397658 /nfs/dbraw/zinc/39/76/58/533397658.db2.gz OMUABONOHQRPLK-OLZOCXBDSA-N 2 0 240.391 1.923 10 0 BDAERP CC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274902741 132204477 /nfs/dbraw/zinc/20/44/77/132204477.db2.gz LOLBZXCTCCVPOB-AWEZNQCLSA-N 2 0 249.358 1.283 10 0 BDAERP [NH3+]C[C@@H]1CCCCN1Cc1ccc2c[nH]nc2c1 ZINC000336056437 134066533 /nfs/dbraw/zinc/06/65/33/134066533.db2.gz YXELESUGWJBFSM-ZDUSSCGKSA-N 2 0 244.342 1.876 10 0 BDAERP OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000224121245 134342195 /nfs/dbraw/zinc/34/21/95/134342195.db2.gz KRYRYTARVGMLCE-RWMBFGLXSA-N 2 0 226.364 1.269 10 0 BDAERP Cc1nccc(C[NH2+]CC2(C)CC[NH+](C)CC2)n1 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CC(C)[NH2+]C[C@@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607055 167111539 /nfs/dbraw/zinc/11/15/39/167111539.db2.gz PWJFATGANZLGAN-BFHYXJOUSA-N 2 0 242.407 1.856 10 0 BDAERP Cc1cc(C[NH2+]CC[C@H](C)[NH3+])ccc1F ZINC000258825530 322876954 /nfs/dbraw/zinc/87/69/54/322876954.db2.gz URCFZUDJFIEXSO-JTQLQIEISA-N 2 0 210.296 1.961 10 0 BDAERP CC(C)[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1 ZINC000040932598 167120085 /nfs/dbraw/zinc/12/00/85/167120085.db2.gz JNNFQWBUYYEEMJ-UHFFFAOYSA-N 2 0 216.288 1.765 10 0 BDAERP CO[C@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266535 409567005 /nfs/dbraw/zinc/56/70/05/409567005.db2.gz IDGPJHNQIJZBLF-UONOGXRCSA-N 2 0 240.391 1.875 10 0 BDAERP CC(C)(C)N1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000665236894 410727298 /nfs/dbraw/zinc/72/72/98/410727298.db2.gz WBQYVYXZFLNGLP-WXRRBKDZSA-N 2 0 239.407 1.719 10 0 BDAERP C[C@@H]1CCC[C@H](C[NH2+]C2CCC([NH3+])CC2)O1 ZINC000665265090 410737247 /nfs/dbraw/zinc/73/72/47/410737247.db2.gz OZOCEWCOKFKSIL-IKWCTNDRSA-N 2 0 226.364 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CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])CC(C)C)CC1 ZINC000055064532 171319555 /nfs/dbraw/zinc/31/95/55/171319555.db2.gz NTLKXZZNMDQTTB-KBPBESRZSA-N 2 0 241.423 1.776 10 0 BDAERP CC(C)n1ccnc1CN1CC2CC1(C[NH3+])C2 ZINC000662304371 412088484 /nfs/dbraw/zinc/08/84/84/412088484.db2.gz PIUUNHVZZIHBPS-UHFFFAOYSA-N 2 0 234.347 1.387 10 0 BDAERP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000665264549 412207549 /nfs/dbraw/zinc/20/75/49/412207549.db2.gz BJYPFZMFWYWVCK-UPJWGTAASA-N 2 0 226.364 1.676 10 0 BDAERP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1(F)F ZINC000665265008 412208857 /nfs/dbraw/zinc/20/88/57/412208857.db2.gz NTZTWAUQVOVTJO-NXEZZACHSA-N 2 0 218.291 1.763 10 0 BDAERP C[C@H]([NH2+][C@H](CO)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000665235062 412166001 /nfs/dbraw/zinc/16/60/01/412166001.db2.gz PBHHURWQFPDROB-CYZMBNFOSA-N 2 0 226.364 1.125 10 0 BDAERP CC[C@H]1CN(CC(CC)(CC)C[NH3+])CC[N@@H+]1C ZINC000104134983 171656088 /nfs/dbraw/zinc/65/60/88/171656088.db2.gz VJLDWXJOHGCEQZ-ZDUSSCGKSA-N 2 0 241.423 1.778 10 0 BDAERP CCn1ncc(C[NH+]2CCC(C[NH3+])CC2)c1C ZINC000020315729 172254801 /nfs/dbraw/zinc/25/48/01/172254801.db2.gz YMIWSAGYKQYAME-UHFFFAOYSA-N 2 0 236.363 1.382 10 0 BDAERP C[NH+](C)C1CCN([C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000036191945 172407647 /nfs/dbraw/zinc/40/76/47/172407647.db2.gz WREIEDLOTFVNFX-ZIAGYGMSSA-N 2 0 239.407 1.672 10 0 BDAERP C[NH+](C)CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000042396107 172427066 /nfs/dbraw/zinc/42/70/66/172427066.db2.gz HNFNMBFKUIHMKL-KBPBESRZSA-N 2 0 240.391 1.564 10 0 BDAERP C[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000019771634 173092202 /nfs/dbraw/zinc/09/22/02/173092202.db2.gz PHGWPSSEFGRPDX-ZDUSSCGKSA-N 2 0 237.322 1.073 10 0 BDAERP C[N@@H+]1CC[C@](C[NH3+])(N2CCC(C)(C)CC2)C1 ZINC000061990821 173163039 /nfs/dbraw/zinc/16/30/39/173163039.db2.gz LJOVPSMUWABSLN-CYBMUJFWSA-N 2 0 225.380 1.141 10 0 BDAERP C[NH2+]C(C)(C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000061316364 173318609 /nfs/dbraw/zinc/31/86/09/173318609.db2.gz PPRWMVJTNBLJJW-UHFFFAOYSA-N 2 0 249.358 1.685 10 0 BDAERP C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2OC)CC1 ZINC000050374060 173323927 /nfs/dbraw/zinc/32/39/27/173323927.db2.gz SDTYWGBEXWNHCD-VXGBXAGGSA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]CCCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000052571676 173345473 /nfs/dbraw/zinc/34/54/73/173345473.db2.gz OZUHHJCMAQOENG-UHFFFAOYSA-N 2 0 241.423 1.792 10 0 BDAERP C[NH2+]CCN(C)CC[NH+]1CCCCCC1 ZINC000077306023 173352849 /nfs/dbraw/zinc/35/28/49/173352849.db2.gz CAFVFDUPEYYOKR-UHFFFAOYSA-N 2 0 213.369 1.014 10 0 BDAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823133 173382867 /nfs/dbraw/zinc/38/28/67/173382867.db2.gz JVRHZYQFTCMPBO-OLZOCXBDSA-N 2 0 240.391 1.875 10 0 BDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420846 173382877 /nfs/dbraw/zinc/38/28/77/173382877.db2.gz IDGHITJXJVBSRY-RQJABVFESA-N 2 0 240.391 1.731 10 0 BDAERP C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000051522123 173388887 /nfs/dbraw/zinc/38/88/87/173388887.db2.gz FFKBSYHZEJLUQH-UHFFFAOYSA-N 2 0 235.331 1.274 10 0 BDAERP C[NH2+]Cc1ccccc1C[NH+]1CCSCC1 ZINC000052443307 173390228 /nfs/dbraw/zinc/39/02/28/173390228.db2.gz RHBZVJONRDYCLO-UHFFFAOYSA-N 2 0 236.384 1.955 10 0 BDAERP COC1CC[NH+](Cc2cccc(C[NH3+])c2)CC1 ZINC000037265744 174030283 /nfs/dbraw/zinc/03/02/83/174030283.db2.gz FZXRNPPBIOVNEW-UHFFFAOYSA-N 2 0 234.343 1.756 10 0 BDAERP COCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000031994544 174230736 /nfs/dbraw/zinc/23/07/36/174230736.db2.gz YWOVKUMHWPADDD-CYBMUJFWSA-N 2 0 226.364 1.489 10 0 BDAERP COCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000036908253 174251216 /nfs/dbraw/zinc/25/12/16/174251216.db2.gz RUCONMVFPSLODG-UTUOFQBUSA-N 2 0 214.353 1.341 10 0 BDAERP COCC[N@H+](C[C@](C)([NH3+])C1CC1)[C@@H](C)C1CC1 ZINC000042689297 174297610 /nfs/dbraw/zinc/29/76/10/174297610.db2.gz AYBXCOXNVAADKH-FZMZJTMJSA-N 2 0 240.391 1.861 10 0 BDAERP COCC[C@@H]([NH3+])C[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000052810994 174392744 /nfs/dbraw/zinc/39/27/44/174392744.db2.gz FFHFQLJZBXKGCU-MGPQQGTHSA-N 2 0 234.343 1.496 10 0 BDAERP COc1ccc(CC[N@H+](C)C[C@@H](C)C[NH3+])cc1 ZINC000049828325 175089613 /nfs/dbraw/zinc/08/96/13/175089613.db2.gz BYTYJGKLLPBJSV-LBPRGKRZSA-N 2 0 236.359 1.764 10 0 BDAERP COc1ccc(OC)c([C@@H](C[NH3+])CC[NH3+])c1 ZINC000041244622 175167055 /nfs/dbraw/zinc/16/70/55/175167055.db2.gz GGFCQSMAJNVPAF-SECBINFHSA-N 2 0 224.304 1.095 10 0 BDAERP COc1ccccc1CC[NH+]1CCC([NH3+])CC1 ZINC000057524593 175322476 /nfs/dbraw/zinc/32/24/76/175322476.db2.gz ZLQCIZHDRSDCSV-UHFFFAOYSA-N 2 0 234.343 1.661 10 0 BDAERP C[C@@H](c1cccc(O)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245126 176018958 /nfs/dbraw/zinc/01/89/58/176018958.db2.gz GZHJSHXTQHOXOR-WDEREUQCSA-N 2 0 220.316 1.734 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CCCN1CC[C@H](C[NH3+])C1 ZINC000034651136 176070703 /nfs/dbraw/zinc/07/07/03/176070703.db2.gz MPYGIXBIYDOPJC-ZIAGYGMSSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000044510698 176169866 /nfs/dbraw/zinc/16/98/66/176169866.db2.gz MQACKZGAGONALR-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000049662851 176172515 /nfs/dbraw/zinc/17/25/15/176172515.db2.gz KXRQTRXEQGXHMG-NEPJUHHUSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2ccccc2C[NH3+])C1 ZINC000040716986 176175808 /nfs/dbraw/zinc/17/58/08/176175808.db2.gz KBPWMDGJPZUJOH-LLVKDONJSA-N 2 0 204.317 1.987 10 0 BDAERP C[C@@H]1C[N@H+](CC2CCC([NH3+])CC2)CCCO1 ZINC000061934579 176286143 /nfs/dbraw/zinc/28/61/43/176286143.db2.gz ZBINNIGQRMWLTQ-PNESKVBLSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@@H]1C[NH+](CC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000037482376 176286160 /nfs/dbraw/zinc/28/61/60/176286160.db2.gz KWHMOFFJKRSZIK-OKZRHMCRSA-N 2 0 226.364 1.613 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])CCN1C ZINC000104143117 176297717 /nfs/dbraw/zinc/29/77/17/176297717.db2.gz RIXFDPNVBCYGLQ-RDBSUJKOSA-N 2 0 239.407 1.530 10 0 BDAERP C[C@@H]1C[NH2+]CCCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000049664549 176324232 /nfs/dbraw/zinc/32/42/32/176324232.db2.gz MHSVBWPZDKKCLY-TZMCWYRMSA-N 2 0 237.391 1.012 10 0 BDAERP C[C@@H]1C[NH2+]CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000044417630 176324317 /nfs/dbraw/zinc/32/43/17/176324317.db2.gz NPGPMCPECQAQMA-OLZOCXBDSA-N 2 0 226.364 1.487 10 0 BDAERP C[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C)CC2)C1 ZINC000019518269 177127750 /nfs/dbraw/zinc/12/77/50/177127750.db2.gz OSABSNZZYVIJDK-QWHCGFSZSA-N 2 0 225.380 1.141 10 0 BDAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CCN1CCC[NH2+]CC1 ZINC000061275854 177160677 /nfs/dbraw/zinc/16/06/77/177160677.db2.gz RFYPSMLKLVNQRQ-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@H]1CC[N@H+](CCc2ccco2)CCC[NH2+]1 ZINC000049667368 177162165 /nfs/dbraw/zinc/16/21/65/177162165.db2.gz WGJMSNBEEPGDBR-LBPRGKRZSA-N 2 0 222.332 1.896 10 0 BDAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC1CCOCC1 ZINC000052173163 177189615 /nfs/dbraw/zinc/18/96/15/177189615.db2.gz FOCBECLADCKFDF-AAEUAGOBSA-N 2 0 226.364 1.472 10 0 BDAERP C[C@H]1CC[C@@H](C[NH3+])CN1CCC[NH+]1CCCC1 ZINC000042427528 177189681 /nfs/dbraw/zinc/18/96/81/177189681.db2.gz DZRMQCFSBVSNPN-KBPBESRZSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@H]1C[N@H+](CCCCC[NH2+]C2CC2)CCN1C ZINC000104132392 177248431 /nfs/dbraw/zinc/24/84/31/177248431.db2.gz LXGMSUAPHWVTKK-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@H]1C[N@H+](CCC[C@@H]2CCC[NH2+]C2)CCN1C ZINC000104349861 177249625 /nfs/dbraw/zinc/24/96/25/177249625.db2.gz WUYGOGVQPRPYOO-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@H]1CN(CC[NH+]2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000062611957 177251465 /nfs/dbraw/zinc/25/14/65/177251465.db2.gz WNPCFADLLSTMQP-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051693981 177369679 /nfs/dbraw/zinc/36/96/79/177369679.db2.gz DZSBLBNHPNQMBA-CJQNXBEJSA-N 3 0 239.407 1.575 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000042815570 177371080 /nfs/dbraw/zinc/37/10/80/177371080.db2.gz LKQWPZJICNIJLN-RFGFWPKPSA-N 2 0 240.391 1.874 10 0 BDAERP CSCCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400599179 224845863 /nfs/dbraw/zinc/84/58/63/224845863.db2.gz WIFWJFKXPKFGPY-WDEREUQCSA-N 2 0 216.394 1.717 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400334859 225014144 /nfs/dbraw/zinc/01/41/44/225014144.db2.gz FQWSERZPJKDPBH-NWANDNLSSA-N 2 0 248.370 1.178 10 0 BDAERP COCC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400377283 226342045 /nfs/dbraw/zinc/34/20/45/226342045.db2.gz JBJDSSUPCDIZJQ-NEPJUHHUSA-N 2 0 226.364 1.391 10 0 BDAERP C[C@H]([NH2+]Cc1cccs1)[C@H]1CC[NH2+]C1 ZINC000400573349 226346614 /nfs/dbraw/zinc/34/66/14/226346614.db2.gz OINGIQONDQFYAW-UWVGGRQHSA-N 2 0 210.346 1.836 10 0 BDAERP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])nc1 ZINC000400824187 229158835 /nfs/dbraw/zinc/15/88/35/229158835.db2.gz JEHVKAMCNWPDGK-WCQYABFASA-N 2 0 219.332 1.607 10 0 BDAERP CC[NH+](CC)CCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136301940 487723598 /nfs/dbraw/zinc/72/35/98/487723598.db2.gz HDEJQUPANMYGJQ-GFCCVEGCSA-N 2 0 243.395 1.208 10 0 BDAERP Cc1c[nH+]ccc1N1CC[NH2+][C@@H](C(C)C)C1 ZINC000083350058 487904477 /nfs/dbraw/zinc/90/44/77/487904477.db2.gz JMCNYXCNCKGOGS-GFCCVEGCSA-N 2 0 219.332 1.824 10 0 BDAERP CC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566555655 323004843 /nfs/dbraw/zinc/00/48/43/323004843.db2.gz HHSTZZZSDOQOFC-TUAOUCFPSA-N 2 0 214.353 1.125 10 0 BDAERP Cc1ncsc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000391189426 323099579 /nfs/dbraw/zinc/09/95/79/323099579.db2.gz NGOUTIGMWOUFEM-NSHDSACASA-N 2 0 239.388 1.726 10 0 BDAERP c1cnc2c(c1)cccc2C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398420544 323185733 /nfs/dbraw/zinc/18/57/33/323185733.db2.gz YGAGOXOFMSAKIG-GFCCVEGCSA-N 2 0 241.338 1.934 10 0 BDAERP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400340726 324166743 /nfs/dbraw/zinc/16/67/43/324166743.db2.gz GQKUCQUZKABSNT-HRDYMLBCSA-N 2 0 224.270 1.915 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCCS1)[C@@H]1CC[NH2+]C1 ZINC000400341724 324166823 /nfs/dbraw/zinc/16/68/23/324166823.db2.gz GWQIJGXDNHTFLF-QJPTWQEYSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000530224065 324543417 /nfs/dbraw/zinc/54/34/17/324543417.db2.gz KTGOZCGHEPYNLK-GQFKXXENSA-N 2 0 226.364 1.658 10 0 BDAERP C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000568868847 326378790 /nfs/dbraw/zinc/37/87/90/326378790.db2.gz UWPNWJGDMRPROX-HBNTYKKESA-N 2 0 228.405 1.858 10 0 BDAERP COCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000568974420 326384306 /nfs/dbraw/zinc/38/43/06/326384306.db2.gz QOPUXISGBUCZHX-QWHCGFSZSA-N 2 0 240.391 1.781 10 0 BDAERP C[NH+](C)C1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000310537503 488099892 /nfs/dbraw/zinc/09/98/92/488099892.db2.gz RQZRZHNJUTUTCX-GXTWGEPZSA-N 2 0 240.391 1.564 10 0 BDAERP CC(C)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389902640 488124070 /nfs/dbraw/zinc/12/40/70/488124070.db2.gz FBEPBYRKSBOKBF-RWMBFGLXSA-N 2 0 210.365 1.962 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]12 ZINC000662266577 487504028 /nfs/dbraw/zinc/50/40/28/487504028.db2.gz NFBAHLQUPCDFOJ-BUCHIQEDSA-N 2 0 220.360 1.702 10 0 BDAERP c1ccc2c(NC[C@H]3COCC[NH2+]3)cc[nH+]c2c1 ZINC000232555530 487606468 /nfs/dbraw/zinc/60/64/68/487606468.db2.gz KJXJXXSHHUCXGG-NSHDSACASA-N 2 0 243.310 1.635 10 0 BDAERP CC(C)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000390221759 488141888 /nfs/dbraw/zinc/14/18/88/488141888.db2.gz ZHDAYYKRSUGSBT-CHWSQXEVSA-N 2 0 225.380 1.010 10 0 BDAERP Fc1cccc(CNC[C@H]2CC[NH2+]C2)c1F ZINC000398381715 488216414 /nfs/dbraw/zinc/21/64/14/488216414.db2.gz UUNHMOAVVKQEPN-VIFPVBQESA-N 2 0 226.270 1.664 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC3CCC3)C[C@@H]12 ZINC000398732790 488223878 /nfs/dbraw/zinc/22/38/78/488223878.db2.gz SXSIOKKNBZWESI-YNEHKIRRSA-N 2 0 208.349 1.846 10 0 BDAERP CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)C[NH+](C)C ZINC000136294733 491112170 /nfs/dbraw/zinc/11/21/70/491112170.db2.gz WGYWARMHKPFPHW-LLVKDONJSA-N 2 0 243.395 1.064 10 0 BDAERP COC[C@@H](C)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757129277 582504878 /nfs/dbraw/zinc/50/48/78/582504878.db2.gz LAYRDXDLGLKRDM-STQMWFEESA-N 2 0 226.364 1.487 10 0 BDAERP CCC1(CC)CC[NH2+]C2(CC[NH+](C)CC2)O1 ZINC000757138611 582517659 /nfs/dbraw/zinc/51/76/59/582517659.db2.gz CMEDDSWQVQWYBR-UHFFFAOYSA-N 2 0 226.364 1.977 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757138718 582518515 /nfs/dbraw/zinc/51/85/15/582518515.db2.gz DFDXIDWDRACKCA-NWDGAFQWSA-N 2 0 224.348 1.587 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757148929 582532860 /nfs/dbraw/zinc/53/28/60/582532860.db2.gz VXGAIEHOKOACTK-OLZOCXBDSA-N 2 0 224.348 1.587 10 0 BDAERP C[C@H]([NH2+]CCc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400513194 533872420 /nfs/dbraw/zinc/87/24/20/533872420.db2.gz MDLZHPVBTPMVDA-AAEUAGOBSA-N 2 0 236.334 1.956 10 0 BDAERP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)ccn1 ZINC000400707032 533891095 /nfs/dbraw/zinc/89/10/95/533891095.db2.gz CTTYFYFZBQUVGY-JQWIXIFHSA-N 2 0 235.331 1.178 10 0 BDAERP CC(C)CCOCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400743775 527759617 /nfs/dbraw/zinc/75/96/17/527759617.db2.gz UENXTLCWNRQVFC-CHWSQXEVSA-N 2 0 228.380 1.637 10 0 BDAERP CCC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400350992 528204334 /nfs/dbraw/zinc/20/43/34/528204334.db2.gz MPUWWYQRONRKPP-QWHCGFSZSA-N 2 0 239.407 1.448 10 0 BDAERP CC(C)C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000400350161 528532022 /nfs/dbraw/zinc/53/20/22/528532022.db2.gz JRFYCFGKHUAAIM-MELADBBJSA-N 2 0 241.423 1.550 10 0 BDAERP CCC(CC)(CO)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400747438 528708007 /nfs/dbraw/zinc/70/80/07/528708007.db2.gz UTUGANCAHLESMO-RYUDHWBXSA-N 2 0 228.380 1.373 10 0 BDAERP CCC(CC)[C@H](CN[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000086725774 535145311 /nfs/dbraw/zinc/14/53/11/535145311.db2.gz HQHAFAHFULLHCM-OLZOCXBDSA-N 2 0 227.396 1.304 10 0 BDAERP CC(C)[NH+]1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043568974 535202291 /nfs/dbraw/zinc/20/22/91/535202291.db2.gz UVWJAPZAFFCJTF-UHFFFAOYSA-N 2 0 220.320 1.194 10 0 BDAERP CC[C@H](COC)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000251030728 536122355 /nfs/dbraw/zinc/12/23/55/536122355.db2.gz AFORADNUJQKUDK-AXFHLTTASA-N 2 0 200.326 1.128 10 0 BDAERP C[N@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1CC[NH+](C)C1 ZINC000070823123 536414562 /nfs/dbraw/zinc/41/45/62/536414562.db2.gz QRFLDTMKYYXGQU-VXGBXAGGSA-N 2 0 228.380 1.277 10 0 BDAERP C[N@H+](C[C@@H](O)C(C)(C)C)C[C@H]1CC[NH+](C)C1 ZINC000250708672 536415638 /nfs/dbraw/zinc/41/56/38/536415638.db2.gz QRFLDTMKYYXGQU-NWDGAFQWSA-N 2 0 228.380 1.277 10 0 BDAERP COCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757130882 582504909 /nfs/dbraw/zinc/50/49/09/582504909.db2.gz OKFGBVQXBQCOFL-STQMWFEESA-N 2 0 226.364 1.487 10 0 BDAERP COCC[C@@H](C)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000757133353 582509542 /nfs/dbraw/zinc/50/95/42/582509542.db2.gz HZBHRYYULRYSCJ-VXGBXAGGSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]1[NH2+]CCC[C@@]12CCCN2CCC[NH+](C)C ZINC000757134850 582513357 /nfs/dbraw/zinc/51/33/57/582513357.db2.gz XEWJGSKIJOWZDZ-ZIAGYGMSSA-N 3 0 239.407 1.545 10 0 BDAERP C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757146320 582529898 /nfs/dbraw/zinc/52/98/98/582529898.db2.gz KFZVTQFZWKUSSM-BXUZGUMPSA-N 2 0 238.375 1.881 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@](C)(CC)CCO2 ZINC000757146938 582530622 /nfs/dbraw/zinc/53/06/22/582530622.db2.gz LWCSHKQGGFAKLF-GFCCVEGCSA-N 2 0 226.364 1.977 10 0 BDAERP CCC[C@@H]1CCO[C@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757147722 582531368 /nfs/dbraw/zinc/53/13/68/582531368.db2.gz SQPNYSHFLRQLME-OLZOCXBDSA-N 2 0 226.364 1.977 10 0 BDAERP [NH3+]C[C@H]1CCC[NH2+][C@@H]1c1ccc(C=O)s1 ZINC000757220341 582563948 /nfs/dbraw/zinc/56/39/48/582563948.db2.gz YUEQTPRTMIRMTF-KCJUWKMLSA-N 2 0 224.329 1.560 10 0 BDAERP Cc1cn2c([nH+]1)NCC[C@@H]2[C@H]1CCC[NH2+]C1 ZINC000236045369 582637555 /nfs/dbraw/zinc/63/75/55/582637555.db2.gz IQBYMUBGHCBRCK-WDEREUQCSA-N 2 0 220.320 1.548 10 0 BDAERP [NH3+]C[C@H]1CC[NH2+][C@@H](c2cccc(C=O)c2)C1 ZINC000757208733 586436756 /nfs/dbraw/zinc/43/67/56/586436756.db2.gz AUSVCPQLAGBAEN-GXFFZTMASA-N 2 0 218.300 1.499 10 0 BDAERP [NH3+]C[C@H]1CC[C@@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757212946 586439327 /nfs/dbraw/zinc/43/93/27/586439327.db2.gz KIOPQEFZWLHDSS-SCZZXKLOSA-N 2 0 224.329 1.560 10 0 BDAERP CC(=O)c1ccc([C@H]2C[NH2+]CC[C@H]2[NH3+])cc1 ZINC000757213423 586439929 /nfs/dbraw/zinc/43/99/29/586439929.db2.gz KEIGGQGJKMKQHU-CHWSQXEVSA-N 2 0 218.300 1.293 10 0 BDAERP C[C@@H]1CN[C@@H](c2cccc(N)c2)[C@H]([NH3+])C1 ZINC000757215206 586440314 /nfs/dbraw/zinc/44/03/14/586440314.db2.gz MUHLVZWWCCQJLT-AXTRIDKLSA-N 2 0 205.305 1.267 10 0 BDAERP c1cc([C@@H]2CCC[NH2+]C2)cc2c1C[NH2+]CC2 ZINC000757215818 586440694 /nfs/dbraw/zinc/44/06/94/586440694.db2.gz OCAAFZKQEBWPJR-CYBMUJFWSA-N 2 0 216.328 1.799 10 0 BDAERP C[C@H]1CC[NH2+]C[C@@H]1c1ccc(C[NH3+])cc1 ZINC000757216074 586440930 /nfs/dbraw/zinc/44/09/30/586440930.db2.gz PFBYKGZWLDSQQH-GWCFXTLKSA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1C[C@H]([NH3+])CN[C@@H]1c1ccc(C[NH3+])cc1 ZINC000757217274 586441614 /nfs/dbraw/zinc/44/16/14/586441614.db2.gz RUXMKWVVDLFNNQ-ICCXJUOJSA-N 2 0 219.332 1.143 10 0 BDAERP Nc1cccc([C@H]2C[C@@H](C[NH3+])CC[NH2+]2)c1 ZINC000757217497 586441942 /nfs/dbraw/zinc/44/19/42/586441942.db2.gz RVZZDQONFAEVFE-JOYOIKCWSA-N 2 0 205.305 1.268 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757220256 586442121 /nfs/dbraw/zinc/44/21/21/586442121.db2.gz XSFWOFXXUGVTKV-GWCFXTLKSA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@H](C)C[C@@H](C)[C@@H]2C[NH3+])CC[NH2+]1 ZINC000757234065 586443003 /nfs/dbraw/zinc/44/30/03/586443003.db2.gz KHVCEHLRTIGJCQ-KJKVDNPUSA-N 3 0 239.407 1.336 10 0 BDAERP [NH3+]Cc1cc([C@H]2NCCC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757231401 586443065 /nfs/dbraw/zinc/44/30/65/586443065.db2.gz HRTBSQRFHITOCN-LSDHHAIUSA-N 2 0 245.370 1.775 10 0 BDAERP C[N@H+](C[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250377966 635470055 /nfs/dbraw/zinc/47/00/55/635470055.db2.gz IRFPNBAPLVTDPV-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@H]([NH3+])CC(F)F ZINC000310308006 635593710 /nfs/dbraw/zinc/59/37/10/635593710.db2.gz SHIOIPLNHGXALU-MNOVXSKESA-N 2 0 249.349 1.385 10 0 BDAERP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168724008 633146742 /nfs/dbraw/zinc/14/67/42/633146742.db2.gz VRQIYKNWEUTVKI-NWDGAFQWSA-N 2 0 222.332 1.942 10 0 BDAERP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000250827185 635498025 /nfs/dbraw/zinc/49/80/25/635498025.db2.gz YIGJNWGQFWEZSG-FPMFFAJLSA-N 2 0 216.328 1.823 10 0 BDAERP [NH3+][C@@H](CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000669372597 636550071 /nfs/dbraw/zinc/55/00/71/636550071.db2.gz UJSVKIRFCWJBTC-KGLIPLIRSA-N 2 0 218.344 1.946 10 0 BDAERP [NH3+]CCCCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227380098 640830853 /nfs/dbraw/zinc/83/08/53/640830853.db2.gz LCFVHNSBZRBXTL-CQSZACIVSA-N 2 0 239.407 1.676 10 0 BDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000227650122 640844143 /nfs/dbraw/zinc/84/41/43/640844143.db2.gz GPMYQYDMYDTXTA-BFHYXJOUSA-N 2 0 237.391 1.297 10 0 BDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCO1 ZINC000227734836 640846491 /nfs/dbraw/zinc/84/64/91/640846491.db2.gz CBDSYINWUZJDLA-NWDGAFQWSA-N 2 0 214.353 1.471 10 0 BDAERP C([C@H]1CCCO1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199679 641146276 /nfs/dbraw/zinc/14/62/76/641146276.db2.gz AORMNVSPYMSFLU-ZIAGYGMSSA-N 2 0 238.375 1.629 10 0 BDAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000250711199 643376501 /nfs/dbraw/zinc/37/65/01/643376501.db2.gz GDALKSOWTBQEFA-VXGBXAGGSA-N 2 0 212.337 1.097 10 0 BDAERP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000074143550 644265773 /nfs/dbraw/zinc/26/57/73/644265773.db2.gz IRCGTRALIPHMPV-NEPJUHHUSA-N 2 0 212.337 1.369 10 0 BDAERP C[C@]1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000094462567 644719284 /nfs/dbraw/zinc/71/92/84/644719284.db2.gz UVJJYZYMMWUAPY-KGLIPLIRSA-N 2 0 237.391 1.156 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000251636273 644815823 /nfs/dbraw/zinc/81/58/23/644815823.db2.gz FRLNITWAGUQXFM-WOPDTQHZSA-N 2 0 212.337 1.082 10 0 BDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCCC[NH3+] ZINC000251672063 644816705 /nfs/dbraw/zinc/81/67/05/644816705.db2.gz HKRCMNHIVNFQBK-KGLIPLIRSA-N 2 0 239.407 1.674 10 0 BDAERP CC(C)OC[C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000252682722 644878480 /nfs/dbraw/zinc/87/84/80/644878480.db2.gz COQROLKSQMNNLO-OLZOCXBDSA-N 2 0 246.395 1.078 10 0 BDAERP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)OC1 ZINC000711390896 712297473 /nfs/dbraw/zinc/29/74/73/712297473.db2.gz PGSBJAPKXVVFAR-QWHCGFSZSA-N 2 0 240.391 1.923 10 0 BDAERP COCC1CC([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000713954097 712474632 /nfs/dbraw/zinc/47/46/32/712474632.db2.gz VGQSBSYJTKJFPZ-IKWCTNDRSA-N 2 0 226.364 1.532 10 0 BDAERP COCC1CC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000713978503 712476109 /nfs/dbraw/zinc/47/61/09/712476109.db2.gz PUMDMQJGALWYJN-YYJSSNLHSA-N 2 0 212.337 1.142 10 0 BDAERP COCC1CC([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000714005022 712476794 /nfs/dbraw/zinc/47/67/94/712476794.db2.gz FPVICBPUAFQLJR-CXQJBGSLSA-N 2 0 212.337 1.143 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000715660456 712529597 /nfs/dbraw/zinc/52/95/97/712529597.db2.gz SOEAYLCXTXXGRI-QJPTWQEYSA-N 2 0 228.405 1.860 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722312393 711734552 /nfs/dbraw/zinc/73/45/52/711734552.db2.gz KUMWMRSDBFXJST-STQMWFEESA-N 2 0 224.348 1.286 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000722316264 711734869 /nfs/dbraw/zinc/73/48/69/711734869.db2.gz OGRMDCWCLBEULQ-NWINJMCUSA-N 2 0 238.375 1.804 10 0 BDAERP CO[C@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)C12CCC2 ZINC000701483227 712024203 /nfs/dbraw/zinc/02/42/03/712024203.db2.gz OSKOLFBQUSDPAV-TYUFSLCMSA-N 2 0 238.375 1.626 10 0 BDAERP CN1C[C@]2(C)C[N@@H+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000705672650 712135372 /nfs/dbraw/zinc/13/53/72/712135372.db2.gz UKXZTOHFZAZIEP-SYQHCUMBSA-N 2 0 238.375 1.173 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000708813953 712199384 /nfs/dbraw/zinc/19/93/84/712199384.db2.gz GMZYKURPMVGZOP-KWCYVHTRSA-N 2 0 234.343 1.247 10 0 BDAERP C[C@H]1C[N@H+](CCCCCCO)C[C@H]1C[NH3+] ZINC000708861258 712201145 /nfs/dbraw/zinc/20/11/45/712201145.db2.gz GKFJXWDIRRPLME-NWDGAFQWSA-N 2 0 214.353 1.066 10 0 BDAERP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000708851946 712201260 /nfs/dbraw/zinc/20/12/60/712201260.db2.gz GMZYKURPMVGZOP-FPMFFAJLSA-N 2 0 234.343 1.247 10 0 BDAERP [NH3+][C@H]1C[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000715067332 712505707 /nfs/dbraw/zinc/50/57/07/712505707.db2.gz NRILAEBZYIJWLG-PHIMTYICSA-N 2 0 227.311 1.806 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000715660457 712529672 /nfs/dbraw/zinc/52/96/72/712529672.db2.gz SOEAYLCXTXXGRI-SDDRHHMPSA-N 2 0 228.405 1.860 10 0 BDAERP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000717284190 712644868 /nfs/dbraw/zinc/64/48/68/712644868.db2.gz LJTSSCIMSJWMIS-CHWSQXEVSA-N 2 0 240.391 1.923 10 0 BDAERP COCC(C)(C)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000718764113 712781475 /nfs/dbraw/zinc/78/14/75/712781475.db2.gz SRADAMSFIXXAEF-VXGBXAGGSA-N 2 0 228.380 1.637 10 0 BDAERP C[C@H]1C[N@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719873039 712824714 /nfs/dbraw/zinc/82/47/14/712824714.db2.gz ONUJMEFTHBMYNM-UWVGGRQHSA-N 2 0 225.361 1.212 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCSC2 ZINC000685955228 538900771 /nfs/dbraw/zinc/90/07/71/538900771.db2.gz WJEVZOCOEZQWOT-QWRGUYRKSA-N 2 0 214.378 1.695 10 0 BDAERP CC(C)C[NH+]1CCC2(CC1)[C@@H]([NH3+])CCN2C ZINC000685952729 538896685 /nfs/dbraw/zinc/89/66/85/538896685.db2.gz COJKWCLWBRGOEA-LBPRGKRZSA-N 2 0 225.380 1.140 10 0 BDAERP Cc1cc(N(C)CCC[NH+](C)C)[nH+]cc1N ZINC000077334640 178099061 /nfs/dbraw/zinc/09/90/61/178099061.db2.gz SGQJQYJVUAGHKN-UHFFFAOYSA-N 2 0 222.336 1.360 10 0 BDAERP C[N@H+](Cc1cc(F)cc(C[NH3+])c1)C1CC1 ZINC000162822579 538924744 /nfs/dbraw/zinc/92/47/44/538924744.db2.gz UKMRXESMTIXGTN-UHFFFAOYSA-N 2 0 208.280 1.879 10 0 BDAERP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000386772759 398219718 /nfs/dbraw/zinc/21/97/18/398219718.db2.gz KSQWGZLAIZVLTE-BFHYXJOUSA-N 2 0 248.374 1.169 10 0 BDAERP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000386772760 398219619 /nfs/dbraw/zinc/21/96/19/398219619.db2.gz KSQWGZLAIZVLTE-IHRRRGAJSA-N 2 0 248.374 1.169 10 0 BDAERP Cc1ccc(CC[NH2+]C2CCC([NH3+])CC2)o1 ZINC000258848003 349519224 /nfs/dbraw/zinc/51/92/24/349519224.db2.gz QVLXPWGEYZYAMV-UHFFFAOYSA-N 2 0 222.332 1.990 10 0 BDAERP Cc1cc(C)c(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000334868184 398236545 /nfs/dbraw/zinc/23/65/45/398236545.db2.gz LDMQADUFMCAAQX-AWEZNQCLSA-N 2 0 233.359 1.930 10 0 BDAERP C[C@H]1CC[C@H](O)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647997420 398255211 /nfs/dbraw/zinc/25/52/11/398255211.db2.gz BOFBDHWWDRXIQS-AAEUAGOBSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000037221779 538961868 /nfs/dbraw/zinc/96/18/68/538961868.db2.gz FGELWYDEOFDIOV-OBJOEFQTSA-N 2 0 240.391 1.874 10 0 BDAERP [NH3+]C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000165906880 361846127 /nfs/dbraw/zinc/84/61/27/361846127.db2.gz MDURQKSFXRKXIR-QWHCGFSZSA-N 2 0 226.364 1.351 10 0 BDAERP C[C@@H](C[NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000035725403 342757248 /nfs/dbraw/zinc/75/72/48/342757248.db2.gz DQRHELKKLRFKSM-VIFPVBQESA-N 2 0 210.346 1.701 10 0 BDAERP C(C1CC1)[NH+]1CCC(OC2CC[NH2+]CC2)CC1 ZINC000145554258 342760825 /nfs/dbraw/zinc/76/08/25/342760825.db2.gz DCOWZMBJKOCJFL-UHFFFAOYSA-N 2 0 238.375 1.629 10 0 BDAERP [NH3+]CCc1ccc(C2CC[NH2+]CC2)cc1 ZINC000044372434 538988655 /nfs/dbraw/zinc/98/86/55/538988655.db2.gz KYWBHYIVNFBKOL-UHFFFAOYSA-N 2 0 204.317 1.655 10 0 BDAERP CCN1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266047 539026947 /nfs/dbraw/zinc/02/69/47/539026947.db2.gz URBYGWQHWCGIDU-NSHDSACASA-N 2 0 239.407 1.719 10 0 BDAERP C[NH2+][C@@H](C)CN1CCSC(C)(C)C1 ZINC000133338705 398324369 /nfs/dbraw/zinc/32/43/69/398324369.db2.gz JTYOSQJJXWEPKU-VIFPVBQESA-N 2 0 202.367 1.422 10 0 BDAERP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000580302261 346875540 /nfs/dbraw/zinc/87/55/40/346875540.db2.gz DARGYVMTVVNNSH-YPMHNXCESA-N 2 0 249.358 1.568 10 0 BDAERP C[C@H](C[N@@H+]1CCCSCC1)[C@H](C)[NH3+] ZINC000228595340 398325108 /nfs/dbraw/zinc/32/51/08/398325108.db2.gz SXFQBZGVQPHRCJ-ZJUUUORDSA-N 2 0 202.367 1.409 10 0 BDAERP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@@H]1CCC[NH2+]C1 ZINC000562959455 323035341 /nfs/dbraw/zinc/03/53/41/323035341.db2.gz QFKGYGCSPYZGQY-YNEHKIRRSA-N 2 0 228.380 1.373 10 0 BDAERP Cc1ccc(C)c([C@@H](O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000011729517 178498857 /nfs/dbraw/zinc/49/88/57/178498857.db2.gz YXSCQGPYMVPLCN-HNNXBMFYSA-N 2 0 248.370 1.760 10 0 BDAERP CC(C)[N@H+](C)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022220672 187254574 /nfs/dbraw/zinc/25/45/74/187254574.db2.gz UZSYHSOBHWOKNC-LLVKDONJSA-N 2 0 249.358 1.813 10 0 BDAERP C=C=CC[NH2+]CCCNCCC[NH2+]CC=C=C ZINC000028770127 187255607 /nfs/dbraw/zinc/25/56/07/187255607.db2.gz MXBZDDOCCZCAAJ-UHFFFAOYSA-N 2 0 235.375 1.218 10 0 BDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(CC(F)F)CC1 ZINC000037755654 187260266 /nfs/dbraw/zinc/26/02/66/187260266.db2.gz LCVRDNNOHKVMNL-LLVKDONJSA-N 2 0 249.349 1.387 10 0 BDAERP COCC[NH+](CCOC)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000036199172 187259488 /nfs/dbraw/zinc/25/94/88/187259488.db2.gz UCTNGFFUORETFA-OLZOCXBDSA-N 2 0 244.379 1.099 10 0 BDAERP Cc1n[nH]cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019238 187262287 /nfs/dbraw/zinc/26/22/87/187262287.db2.gz YKFNOANYLVVZJV-QXMXGUDHSA-N 2 0 248.374 1.681 10 0 BDAERP CC(C)[C@@](C)(C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000042489826 187265470 /nfs/dbraw/zinc/26/54/70/187265470.db2.gz WPNSVRLVSDQENY-CYBMUJFWSA-N 2 0 225.380 1.140 10 0 BDAERP COCC[N@H+](CC[C@@H]1CCC[NH2+]1)[C@@H](C)COC ZINC000042610860 187266227 /nfs/dbraw/zinc/26/62/27/187266227.db2.gz XQITZKGEDVGQBU-STQMWFEESA-N 2 0 244.379 1.112 10 0 BDAERP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000584107183 343597411 /nfs/dbraw/zinc/59/74/11/343597411.db2.gz NUCZNYLKHRGXMH-TZMCWYRMSA-N 2 0 248.370 1.912 10 0 BDAERP C[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000052395784 343599945 /nfs/dbraw/zinc/59/99/45/343599945.db2.gz YGVVGRFXNKZDQM-DGCLKSJQSA-N 2 0 249.358 1.013 10 0 BDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000584183450 343770930 /nfs/dbraw/zinc/77/09/30/343770930.db2.gz IULZUXAHRJQFKI-MGPQQGTHSA-N 2 0 240.391 1.611 10 0 BDAERP CN(c1ccnc(C[NH3+])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053249214 187272276 /nfs/dbraw/zinc/27/22/76/187272276.db2.gz DDQDCYBPOLCTDQ-CYBMUJFWSA-N 2 0 234.347 1.071 10 0 BDAERP COC[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000409425359 343819335 /nfs/dbraw/zinc/81/93/35/343819335.db2.gz AJYUZUXQBKCNHS-SECBINFHSA-N 2 0 240.269 1.236 10 0 BDAERP C[C@@H]1SCCC[C@H]1[N@@H+]1CC[C@@H](N)C1 ZINC000227532446 344483409 /nfs/dbraw/zinc/48/34/09/344483409.db2.gz XNVCHVARDWPJOC-IVZWLZJFSA-N 2 0 200.351 1.304 10 0 BDAERP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400351860 344517096 /nfs/dbraw/zinc/51/70/96/344517096.db2.gz MYHJHCMZAIGNAA-TZMCWYRMSA-N 3 0 239.407 1.306 10 0 BDAERP CS[C@@H]1CCC[C@@H]1[NH+]1CCC([NH3+])CC1 ZINC000235121445 344804413 /nfs/dbraw/zinc/80/44/13/344804413.db2.gz XQUJUONLZGFRQJ-WDEREUQCSA-N 2 0 214.378 1.694 10 0 BDAERP C[C@H]1SCC[C@@]1(C[NH3+])NCc1ccccc1 ZINC000235625750 344958964 /nfs/dbraw/zinc/95/89/64/344958964.db2.gz SKDRZRUXEVYVDO-YPMHNXCESA-N 2 0 236.384 1.999 10 0 BDAERP Cc1cccnc1NC[C@@H]1CCC[NH2+]C1 ZINC000051041281 187296767 /nfs/dbraw/zinc/29/67/67/187296767.db2.gz PMRUTGFDDHWPPR-LLVKDONJSA-N 2 0 205.305 1.802 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000634998239 345198168 /nfs/dbraw/zinc/19/81/68/345198168.db2.gz 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/nfs/dbraw/zinc/07/55/88/179075588.db2.gz UPYHDHHPMIAVPP-CQSZACIVSA-N 2 0 247.386 1.460 10 0 BDAERP Cc1nc(C[NH3+])sc1[C@H]1CC[NH2+][C@@H](C)C1 ZINC000669379564 537979175 /nfs/dbraw/zinc/97/91/75/537979175.db2.gz FLZLIRBYKNZPAT-CBAPKCEASA-N 2 0 225.361 1.766 10 0 BDAERP Nc1c[nH+]ccc1N1CCC2(CC[NH2+]CC2)CC1 ZINC000149149577 346567348 /nfs/dbraw/zinc/56/73/48/346567348.db2.gz QRDGMWLNEXSJCO-UHFFFAOYSA-N 2 0 246.358 1.634 10 0 BDAERP Cc1ccccc1[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000070459739 179326962 /nfs/dbraw/zinc/32/69/62/179326962.db2.gz MMBJCMCVZYVQTO-AWEZNQCLSA-N 2 0 234.343 1.452 10 0 BDAERP Cc1ccccc1[C@H]([NH3+])CN1CC[N@H+](C)[C@H](C)C1 ZINC000104125918 179343851 /nfs/dbraw/zinc/34/38/51/179343851.db2.gz CVNBANOWILHFHP-UKRRQHHQSA-N 2 0 247.386 1.631 10 0 BDAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000043033359 179346793 /nfs/dbraw/zinc/34/67/93/179346793.db2.gz TWHAYDSODRLVJD-ZFWWWQNUSA-N 2 0 247.386 1.631 10 0 BDAERP CS[C@H]1CCC[N@@H+](C2CC([NH3+])C2)CC1 ZINC000300840378 362909302 /nfs/dbraw/zinc/90/93/02/362909302.db2.gz MBNKVWWNDDWSQQ-ILDUYXDCSA-N 2 0 214.378 1.694 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250228495 349168743 /nfs/dbraw/zinc/16/87/43/349168743.db2.gz FTRAGLXJAYIQHV-AVGNSLFASA-N 2 0 225.380 1.330 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000251439229 538047945 /nfs/dbraw/zinc/04/79/45/538047945.db2.gz APNAUCCACIYWCS-FPMFFAJLSA-N 2 0 240.391 1.610 10 0 BDAERP Nc1cccc([C@@H]2CCCCN(CC[NH3+])C2)n1 ZINC000616605900 350795511 /nfs/dbraw/zinc/79/55/11/350795511.db2.gz YUCSPAFLSRVLGY-LLVKDONJSA-N 2 0 234.347 1.192 10 0 BDAERP [NH3+]CC[C@@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616648030 351175533 /nfs/dbraw/zinc/17/55/33/351175533.db2.gz RYSGQOCHTMFASC-CQSZACIVSA-N 2 0 234.343 1.626 10 0 BDAERP C[C@H]1C[C@H]([N@H+](C)C2CC([NH3+])C2)CS1 ZINC000306853345 351177098 /nfs/dbraw/zinc/17/70/98/351177098.db2.gz SYVQMYCJBYLBMU-NFTFJBJSSA-N 2 0 200.351 1.302 10 0 BDAERP C[C@@H]1C[C@@H]([N@H+](C)C2CC([NH3+])C2)CS1 ZINC000306853346 351177219 /nfs/dbraw/zinc/17/72/19/351177219.db2.gz SYVQMYCJBYLBMU-SEZDTBSWSA-N 2 0 200.351 1.302 10 0 BDAERP CC(C)(C)[N@@H+]1CCOC[C@H](CC[NH3+])C1 ZINC000616657984 351199641 /nfs/dbraw/zinc/19/96/41/351199641.db2.gz ADVOONAMDXGGFP-SNVBAGLBSA-N 2 0 200.326 1.082 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000307017939 351423849 /nfs/dbraw/zinc/42/38/49/351423849.db2.gz STDCEJSIHYBDRC-VIFPVBQESA-N 2 0 247.111 1.937 10 0 BDAERP Cc1ccc([C@H]([NH3+])CC[NH3+])c(F)c1F ZINC000307173415 351563881 /nfs/dbraw/zinc/56/38/81/351563881.db2.gz RKGPYENGQNTFHO-MRVPVSSYSA-N 2 0 200.232 1.622 10 0 BDAERP CS[C@@H]1CC[N@H+](C[C@@H]2C=C[C@@H]([NH3+])C2)C1 ZINC000307254133 351788775 /nfs/dbraw/zinc/78/87/75/351788775.db2.gz WYTSJXAOXYVPJW-GMTAPVOTSA-N 2 0 212.362 1.327 10 0 BDAERP C[C@H]1[C@@H]([NH3+])CCN1CC1CC(F)(F)C1 ZINC000307254571 351789393 /nfs/dbraw/zinc/78/93/93/351789393.db2.gz XZXDHQDSMGBNAX-CBAPKCEASA-N 2 0 204.264 1.453 10 0 BDAERP CS[C@@H]1CCN([C@@H]2CCCC[NH2+]C2)C1 ZINC000307254986 351790763 /nfs/dbraw/zinc/79/07/63/351790763.db2.gz YZBJLLJZRPNTRA-GHMZBOCLSA-N 2 0 214.378 1.566 10 0 BDAERP COCCC[NH2+]C[C@@H]1C[NH2+]CC12CCC2 ZINC000725269334 538101667 /nfs/dbraw/zinc/10/16/67/538101667.db2.gz RLONJQBEJCGNBL-LLVKDONJSA-N 2 0 212.337 1.002 10 0 BDAERP CS[C@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000300813349 352575495 /nfs/dbraw/zinc/57/54/95/352575495.db2.gz HPKZPFLHBWIBMN-JTQLQIEISA-N 2 0 216.394 1.941 10 0 BDAERP C[C@H](C[NH3+])[C@@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307494425 352624971 /nfs/dbraw/zinc/62/49/71/352624971.db2.gz HTHLDRSEOCTVEW-GMTAPVOTSA-N 2 0 216.394 1.797 10 0 BDAERP C[C@@H]1CSC[C@@H]1[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000307514914 352631710 /nfs/dbraw/zinc/63/17/10/352631710.db2.gz OYDXYOQZDJADEK-BBBLOLIVSA-N 2 0 200.351 1.019 10 0 BDAERP C(C[N@@H+]1CCCSCC1)C1CC[NH2+]CC1 ZINC000042444886 187978456 /nfs/dbraw/zinc/97/84/56/187978456.db2.gz MXDAPWFDGOWRBZ-UHFFFAOYSA-N 2 0 228.405 1.815 10 0 BDAERP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)C1CC1)C2 ZINC000165283040 353279933 /nfs/dbraw/zinc/27/99/33/353279933.db2.gz RQBHOOBQDGFPQT-JQWIXIFHSA-N 2 0 219.332 1.894 10 0 BDAERP Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000630079156 363286861 /nfs/dbraw/zinc/28/68/61/363286861.db2.gz WRHOOQVQPLXPQK-WCBMZHEXSA-N 2 0 209.293 1.010 10 0 BDAERP [NH3+][C@H](CC[NH+]1CCCC1)c1ccncc1 ZINC000083986071 355213618 /nfs/dbraw/zinc/21/36/18/355213618.db2.gz PBPHEBOGIGCYBN-GFCCVEGCSA-N 2 0 205.305 1.567 10 0 BDAERP C[C@]1([NH3+])CC[N@H+](C[C@H]2CCSC2)C1 ZINC000405780176 355273570 /nfs/dbraw/zinc/27/35/70/355273570.db2.gz HBKXUUJANMCRAC-ZJUUUORDSA-N 2 0 200.351 1.163 10 0 BDAERP C[NH+](C)C[C@H]1CC[N@H+](CCCCCO)C1 ZINC000113515681 355251920 /nfs/dbraw/zinc/25/19/20/355251920.db2.gz MPBGLMVWDHINLB-GFCCVEGCSA-N 2 0 214.353 1.033 10 0 BDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335516253 355312138 /nfs/dbraw/zinc/31/21/38/355312138.db2.gz JOHSLXKOBZCJAC-CLRIEMFWSA-N 3 0 239.407 1.719 10 0 BDAERP NC(=[NH2+])CCCCN1CC[NH+](CC2CC2)CC1 ZINC000049579808 181186403 /nfs/dbraw/zinc/18/64/03/181186403.db2.gz JDDOHNJWPGNQNR-UHFFFAOYSA-N 2 0 238.379 1.120 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCCOC1 ZINC000389066042 355582374 /nfs/dbraw/zinc/58/23/74/355582374.db2.gz LIVYDOOPFSYCAW-WUHRBBMRSA-N 2 0 226.364 1.519 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCCOC1 ZINC000389066043 355582416 /nfs/dbraw/zinc/58/24/16/355582416.db2.gz LIVYDOOPFSYCAW-ZDEQEGDKSA-N 2 0 226.364 1.519 10 0 BDAERP C[NH2+]C1(C)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000168421909 355806809 /nfs/dbraw/zinc/80/68/09/355806809.db2.gz URJUANMIGHDPCM-SNVBAGLBSA-N 2 0 214.378 1.566 10 0 BDAERP CC(C)[NH+](C[C@H]1OC(=O)CC12C[NH2+]C2)C(C)C ZINC000675075993 538510533 /nfs/dbraw/zinc/51/05/33/538510533.db2.gz YGQMLLWSWAVSKN-LLVKDONJSA-N 2 0 240.347 1.010 10 0 BDAERP C[C@H]([NH2+]CCc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000582480702 357316926 /nfs/dbraw/zinc/31/69/26/357316926.db2.gz QRGBEMHHAOBOSG-GXTWGEPZSA-N 2 0 233.359 1.602 10 0 BDAERP CC1CC[NH+](C2[C@@H](C)C[NH2+]C[C@@H]2C)CC1 ZINC000685951754 538895046 /nfs/dbraw/zinc/89/50/46/538895046.db2.gz XKRHNIMQSSRHGJ-RYUDHWBXSA-N 2 0 210.365 1.962 10 0 BDAERP COC[C@@H]1CC[N@@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685951401 538895304 /nfs/dbraw/zinc/89/53/04/538895304.db2.gz SQWHUIKGYQMCLR-IJLUTSLNSA-N 2 0 226.364 1.199 10 0 BDAERP CC1CC[NH+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CC1 ZINC000685951753 538895580 /nfs/dbraw/zinc/89/55/80/538895580.db2.gz XKRHNIMQSSRHGJ-ITGUQSILSA-N 2 0 210.365 1.962 10 0 BDAERP C[C@@H](CC[NH+](C)C)N[C@H]1CCC[NH2+]CC1 ZINC000168739377 134247575 /nfs/dbraw/zinc/24/75/75/134247575.db2.gz DLIRHVAOVDOZKZ-RYUDHWBXSA-N 3 0 213.369 1.058 10 0 BDAERP CC(C)COCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168711242 134246586 /nfs/dbraw/zinc/24/65/86/134246586.db2.gz BRTZZSBYJKWIJL-ZDUSSCGKSA-N 2 0 228.380 1.781 10 0 BDAERP CCC1([NH+](C)C)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000640016158 358068628 /nfs/dbraw/zinc/06/86/28/358068628.db2.gz UUPGYQYFTJWJDQ-CHWSQXEVSA-N 2 0 240.391 1.706 10 0 BDAERP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000226229876 358336500 /nfs/dbraw/zinc/33/65/00/358336500.db2.gz RLUUGCCWFIPHCH-MGPQQGTHSA-N 2 0 240.391 1.611 10 0 BDAERP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000300390301 358987721 /nfs/dbraw/zinc/98/77/21/358987721.db2.gz RDKWSXCYWIIKCR-ZRUFSTJUSA-N 2 0 214.378 1.740 10 0 BDAERP CSC1(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)CC1 ZINC000306230587 359366146 /nfs/dbraw/zinc/36/61/46/359366146.db2.gz ZTLLDRNUNHUGMV-ZJUUUORDSA-N 2 0 214.378 1.551 10 0 BDAERP [NH3+][C@@H]1C=C[C@H](CN2CCC(F)(F)C2)C1 ZINC000306241457 359421204 /nfs/dbraw/zinc/42/12/04/359421204.db2.gz RGXTZNIZALDUNX-DTWKUNHWSA-N 2 0 202.248 1.231 10 0 BDAERP [NH3+]C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000160974967 359605270 /nfs/dbraw/zinc/60/52/70/359605270.db2.gz LWZWCXFVJZVOOF-UHFFFAOYSA-N 2 0 220.316 1.102 10 0 BDAERP O[C@]1([C@@H]2C=CC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306344239 359662377 /nfs/dbraw/zinc/66/23/77/359662377.db2.gz CKWIOFQLDHMHFO-LSDHHAIUSA-N 2 0 244.338 1.151 10 0 BDAERP C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1(O)C1C[NH2+]C1 ZINC000306398794 359766325 /nfs/dbraw/zinc/76/63/25/359766325.db2.gz MOJSAPUHJFRHIC-DOMZBBRYSA-N 2 0 246.354 1.231 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH+]1CCSCC1 ZINC000306437646 359946972 /nfs/dbraw/zinc/94/69/72/359946972.db2.gz MBAANRQVYRCZNL-NXEZZACHSA-N 2 0 200.351 1.033 10 0 BDAERP CC1(C)C[N@@H+]([C@H]2CCSC2)CCC[NH2+]1 ZINC000231421909 360335605 /nfs/dbraw/zinc/33/56/05/360335605.db2.gz PGGIIWDTEDIGEP-JTQLQIEISA-N 2 0 214.378 1.566 10 0 BDAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CCSC[C@@H]1C ZINC000069761061 360409021 /nfs/dbraw/zinc/40/90/21/360409021.db2.gz VTTVNSLTHKCKHS-YUMQZZPRSA-N 2 0 201.339 1.138 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC000069761862 360421451 /nfs/dbraw/zinc/42/14/51/360421451.db2.gz VQSPBDVAJFBPSG-GHMZBOCLSA-N 2 0 214.378 1.566 10 0 BDAERP C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000306598138 360518916 /nfs/dbraw/zinc/51/89/16/360518916.db2.gz PBDHNXHLCOZVCS-DBIOUOCHSA-N 2 0 214.378 1.550 10 0 BDAERP c1ccc2c(c1)CO[C@H](C[NH2+]C1CC[NH2+]CC1)C2 ZINC000629514346 361111366 /nfs/dbraw/zinc/11/13/66/361111366.db2.gz REYWGQDOLMEVFU-HNNXBMFYSA-N 2 0 246.354 1.470 10 0 BDAERP [NH3+]C1(C[NH2+]C[C@H]2CCCCO2)CCCC1 ZINC000042825598 181332488 /nfs/dbraw/zinc/33/24/88/181332488.db2.gz HMCWIOKCRIHWNY-LLVKDONJSA-N 2 0 212.337 1.417 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@H]2CSCCS2)CC1 ZINC000229590623 181341795 /nfs/dbraw/zinc/34/17/95/181341795.db2.gz ZHQWFWYSJDFDIJ-ILDUYXDCSA-N 2 0 246.445 1.695 10 0 BDAERP CO[C@@H]1C[N@H+](CC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630364731 364083542 /nfs/dbraw/zinc/08/35/42/364083542.db2.gz SIXDZFRNQORNAV-STQMWFEESA-N 2 0 226.364 1.615 10 0 BDAERP CO[C@H]1C[N@H+](CC2CC=CC2)[C@](C)(C[NH3+])C1 ZINC000630365432 364083557 /nfs/dbraw/zinc/08/35/57/364083557.db2.gz HXPLHXSZMPNYMF-OLZOCXBDSA-N 2 0 224.348 1.391 10 0 BDAERP C[NH2+]CCOCCN(C)c1cc[nH+]c(C)c1 ZINC000630529499 364217614 /nfs/dbraw/zinc/21/76/14/364217614.db2.gz YXIQXOOXXXWWNG-UHFFFAOYSA-N 2 0 223.320 1.062 10 0 BDAERP C[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000630546867 364240191 /nfs/dbraw/zinc/24/01/91/364240191.db2.gz WQOQWFAFAUPQDU-CMPLNLGQSA-N 2 0 227.311 1.819 10 0 BDAERP CCc1cn2c([nH+]1)NC[C@@H]1C[NH2+]CC[C@H]12 ZINC000234200838 541512126 /nfs/dbraw/zinc/51/21/26/541512126.db2.gz MBHHHZMRKYNEIP-WCBMZHEXSA-N 2 0 206.293 1.022 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000581608618 367631663 /nfs/dbraw/zinc/63/16/63/367631663.db2.gz ZOCNNVWHFMUDEG-RHYQMDGZSA-N 2 0 212.337 1.142 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000386053778 367904727 /nfs/dbraw/zinc/90/47/27/367904727.db2.gz VYAGPTFRNXMITO-BPCQOVAHSA-N 2 0 226.364 1.397 10 0 BDAERP OC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000385975953 367891426 /nfs/dbraw/zinc/89/14/26/367891426.db2.gz HKALCONKCSKFIY-CHWSQXEVSA-N 2 0 226.364 1.269 10 0 BDAERP OC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000386305924 367948074 /nfs/dbraw/zinc/94/80/74/367948074.db2.gz WEDPFBQXMCQLEB-UONOGXRCSA-N 2 0 240.391 1.659 10 0 BDAERP CCC[N@H+](CC)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581937821 367964056 /nfs/dbraw/zinc/96/40/56/367964056.db2.gz UWYWTUDBHYAZPF-KGLIPLIRSA-N 2 0 241.423 1.696 10 0 BDAERP [NH3+][C@@H]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252981170 368177276 /nfs/dbraw/zinc/17/72/76/368177276.db2.gz PYKJBTVBLRMNEU-UTLUCORTSA-N 2 0 200.351 1.351 10 0 BDAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H](COc2ccccc2)C1 ZINC000038458043 368326838 /nfs/dbraw/zinc/32/68/38/368326838.db2.gz RPHGNNWPPGODRX-NEPJUHHUSA-N 2 0 220.316 1.250 10 0 BDAERP C[C@H]([NH2+][C@H]1CSC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000568868844 326380115 /nfs/dbraw/zinc/38/01/15/326380115.db2.gz UWPNWJGDMRPROX-AXFHLTTASA-N 2 0 228.405 1.858 10 0 BDAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCSC1 ZINC000126702857 371543925 /nfs/dbraw/zinc/54/39/25/371543925.db2.gz LMKTYNGITJBRKS-OPRDCNLKSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1C[NH2+][C@@]2(CC[N@H+](C)[C@@H](C)C2)S1 ZINC000226850603 371752073 /nfs/dbraw/zinc/75/20/73/371752073.db2.gz AWIVFFDPRLPXNA-AEJSXWLSSA-N 2 0 200.351 1.522 10 0 BDAERP C[C@@H]1CSC[C@@H]1[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000306648413 372050465 /nfs/dbraw/zinc/05/04/65/372050465.db2.gz CILIKFHOUMSLJD-KATARQTJSA-N 2 0 200.351 1.159 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000306957198 372082527 /nfs/dbraw/zinc/08/25/27/372082527.db2.gz STDCEJSIHYBDRC-SECBINFHSA-N 2 0 247.111 1.937 10 0 BDAERP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC000521858997 259553664 /nfs/dbraw/zinc/55/36/64/259553664.db2.gz MCSIPWLQBLQQJF-NNYUYHANSA-N 2 0 226.364 1.124 10 0 BDAERP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1C[NH3+] ZINC000631836602 372624527 /nfs/dbraw/zinc/62/45/27/372624527.db2.gz CJXHFGCPMNXMFA-PWSUYJOCSA-N 2 0 210.365 1.949 10 0 BDAERP C[C@H]1C[N@H+](CCc2cccnc2)C[C@H]1C[NH3+] ZINC000631841072 372638418 /nfs/dbraw/zinc/63/84/18/372638418.db2.gz XUAIROFBYQHYAW-WCQYABFASA-N 2 0 219.332 1.151 10 0 BDAERP C[C@@H](c1cccnc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841052 372639196 /nfs/dbraw/zinc/63/91/96/372639196.db2.gz XNCBJRYFVSRNOG-MDZLAQPJSA-N 2 0 219.332 1.669 10 0 BDAERP OC[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC000038117359 183145044 /nfs/dbraw/zinc/14/50/44/183145044.db2.gz KDTGZDHWYUNDDE-LLVKDONJSA-N 2 0 226.345 1.077 10 0 BDAERP CCC[N@H+](C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000104313255 169081667 /nfs/dbraw/zinc/08/16/67/169081667.db2.gz RCDRPQHLHXIDFE-CQSZACIVSA-N 2 0 240.391 1.877 10 0 BDAERP CCCN(CC[NH+](C)C)C[C@]1(CC)CC[NH2+]C1 ZINC000062912209 169157300 /nfs/dbraw/zinc/15/73/00/169157300.db2.gz GIOVJQFMGGDHGY-CQSZACIVSA-N 2 0 241.423 1.650 10 0 BDAERP CCCN(CC[NH+](C)C)c1ccnc(C(N)=[NH2+])c1 ZINC000061814325 169157580 /nfs/dbraw/zinc/15/75/80/169157580.db2.gz OIELRGCEXINZNA-UHFFFAOYSA-N 2 0 249.362 1.144 10 0 BDAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])C1CCCC1 ZINC000050272413 169158215 /nfs/dbraw/zinc/15/82/15/169158215.db2.gz RNRBMYYZFUUCAB-CQSZACIVSA-N 2 0 241.423 1.778 10 0 BDAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[C@H]2C)CC1 ZINC000037910390 169186180 /nfs/dbraw/zinc/18/61/80/169186180.db2.gz PTICMQLPBWNGDV-CYBMUJFWSA-N 2 0 239.407 1.674 10 0 BDAERP CCC[NH+]1CCN([C@@](C)(CC)C[NH3+])CC1 ZINC000019431743 169202673 /nfs/dbraw/zinc/20/26/73/169202673.db2.gz FIYQBCHIOXXFPE-LBPRGKRZSA-N 2 0 213.369 1.141 10 0 BDAERP CCC[N@@H+]1CCc2nc(CC[NH3+])sc2C1 ZINC000019517865 169208515 /nfs/dbraw/zinc/20/85/15/169208515.db2.gz HUNKTUUACCMENA-UHFFFAOYSA-N 2 0 225.361 1.412 10 0 BDAERP CCC[NH2+][C@H](CC)CN1CC[N@H+](CC)[C@H](C)C1 ZINC000104135879 169287996 /nfs/dbraw/zinc/28/79/96/169287996.db2.gz MVHZJQQFHFZVBS-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C[C@@H]1C ZINC000103962888 169282663 /nfs/dbraw/zinc/28/26/63/169282663.db2.gz HCSSQLUSUPVLCN-BFHYXJOUSA-N 2 0 240.391 1.875 10 0 BDAERP CCCO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425461 169312853 /nfs/dbraw/zinc/31/28/53/169312853.db2.gz NMGFHZMPMSUUEQ-KGLIPLIRSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[NH2+][C@H]1CCN(CCC[NH+](C)C)[C@H](C)C1 ZINC000049710849 169291923 /nfs/dbraw/zinc/29/19/23/169291923.db2.gz GSSSLCXXJMWANN-KGLIPLIRSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+](CCO)C1CC1 ZINC000053880280 169292012 /nfs/dbraw/zinc/29/20/12/169292012.db2.gz YBEWRGSALSFKDZ-JSGCOSHPSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[C@@H](CN(C)CC1CC[NH+](C)CC1)[NH2+]C ZINC000063120608 169383207 /nfs/dbraw/zinc/38/32/07/169383207.db2.gz SIFTUODRDQROIJ-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)[N@H+](C)CCCNC1CC[NH2+]CC1 ZINC000226338313 134360757 /nfs/dbraw/zinc/36/07/57/134360757.db2.gz ULLRITQUMQCRPV-UHFFFAOYSA-N 2 0 213.369 1.058 10 0 BDAERP C[NH2+]Cc1ccc(C2=[NH+]CCN2C)cc1 ZINC000039105209 384103148 /nfs/dbraw/zinc/10/31/48/384103148.db2.gz JDDOLPGPLYHJJH-UHFFFAOYSA-N 2 0 203.289 1.098 10 0 BDAERP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000572593270 384176566 /nfs/dbraw/zinc/17/65/66/384176566.db2.gz ANJMYUYUYFRWCP-CHWSQXEVSA-N 2 0 240.391 1.659 10 0 BDAERP c1ncc(C[NH2+]CC2CC[NH2+]CC2)s1 ZINC000095092648 384363788 /nfs/dbraw/zinc/36/37/88/384363788.db2.gz LFGAISZLXJQLAK-UHFFFAOYSA-N 2 0 211.334 1.232 10 0 BDAERP Clc1nccc(C[NH2+]CC2CC[NH2+]CC2)n1 ZINC000095070142 384334436 /nfs/dbraw/zinc/33/44/36/384334436.db2.gz KOIAWUHIYAQFOW-UHFFFAOYSA-N 2 0 240.738 1.219 10 0 BDAERP C[NH2+][C@@H]1CCCN([C@@H]2CCCSC2)C1 ZINC000061590689 384519190 /nfs/dbraw/zinc/51/91/90/384519190.db2.gz ROTLVPOVCGAQPS-GHMZBOCLSA-N 2 0 214.378 1.566 10 0 BDAERP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729393 384679943 /nfs/dbraw/zinc/67/99/43/384679943.db2.gz BPHGYVFHHFAERR-UNXYVOJBSA-N 3 0 213.369 1.186 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000125384450 384836307 /nfs/dbraw/zinc/83/63/07/384836307.db2.gz QWDXHNGZDJWCBY-YGNMPJRFSA-N 2 0 224.348 1.236 10 0 BDAERP CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862538 384805568 /nfs/dbraw/zinc/80/55/68/384805568.db2.gz KABAAKVGNZZPSL-LLVKDONJSA-N 2 0 214.353 1.031 10 0 BDAERP C[C@@H]1C[NH2+]CCN1c1ccnc(C2CC2)n1 ZINC000409436720 384812673 /nfs/dbraw/zinc/81/26/73/384812673.db2.gz XWDLOEQNKNHLAE-SECBINFHSA-N 2 0 218.304 1.152 10 0 BDAERP COC1(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)CCCC1 ZINC000318914364 385522220 /nfs/dbraw/zinc/52/22/20/385522220.db2.gz BZXYENVVHZJDCY-MNOVXSKESA-N 2 0 212.337 1.367 10 0 BDAERP C[C@@H](C[NH2+]C1CC[NH2+]CC1)CC(F)F ZINC000647800679 385810302 /nfs/dbraw/zinc/81/03/02/385810302.db2.gz IUCKIBXOGVAPME-MRVPVSSYSA-N 2 0 206.280 1.619 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336666662 386294044 /nfs/dbraw/zinc/29/40/44/386294044.db2.gz LJSRWBHDGWSQKC-NWDGAFQWSA-N 2 0 228.380 1.277 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCN[C@H]1C)C1CCOCC1 ZINC000396571935 386782363 /nfs/dbraw/zinc/78/23/63/386782363.db2.gz AWSFAMYQHODNIJ-GMXVVIOVSA-N 2 0 226.364 1.532 10 0 BDAERP Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398378598 386818654 /nfs/dbraw/zinc/81/86/54/386818654.db2.gz SMISXXCNJJACCT-NSHDSACASA-N 2 0 222.307 1.833 10 0 BDAERP [NH3+][C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575471503 387108577 /nfs/dbraw/zinc/10/85/77/387108577.db2.gz AJNRCPPSJUFWFV-HUUCEWRRSA-N 2 0 246.354 1.769 10 0 BDAERP COC(=O)c1ccc([C@H]([NH3+])CCC[NH3+])cc1 ZINC000575438006 387112946 /nfs/dbraw/zinc/11/29/46/387112946.db2.gz BQWJYYXHOQSDFQ-LLVKDONJSA-N 2 0 222.288 1.212 10 0 BDAERP COc1cc([C@@H]([NH3+])CCC[NH3+])ccc1F ZINC000575438265 387117808 /nfs/dbraw/zinc/11/78/08/387117808.db2.gz GLGLEPDANLAUTI-JTQLQIEISA-N 2 0 212.268 1.573 10 0 BDAERP COc1c(F)cccc1[C@@H]([NH3+])CCC[NH3+] ZINC000575440337 387123519 /nfs/dbraw/zinc/12/35/19/387123519.db2.gz OPWKSSPSEQVQSP-JTQLQIEISA-N 2 0 212.268 1.573 10 0 BDAERP [NH3+]CCCC[C@H]([NH3+])c1cccc2c1OCO2 ZINC000575440159 387127636 /nfs/dbraw/zinc/12/76/36/387127636.db2.gz LGIRKJXMJPIZCL-JTQLQIEISA-N 2 0 222.288 1.544 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCS2)[C@H]1C ZINC000575585802 387145924 /nfs/dbraw/zinc/14/59/24/387145924.db2.gz XMJQOFIOHQIRLF-KXUCPTDWSA-N 2 0 200.351 1.032 10 0 BDAERP CC(C)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000536955024 387168114 /nfs/dbraw/zinc/16/81/14/387168114.db2.gz OLUWZHNGYGQWGX-RWMBFGLXSA-N 2 0 210.365 1.962 10 0 BDAERP CSC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400435428 387285123 /nfs/dbraw/zinc/28/51/23/387285123.db2.gz MPIYDFQOJMXQKF-GUBZILKMSA-N 2 0 202.367 1.326 10 0 BDAERP C[C@]1(C(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC000575517983 387433256 /nfs/dbraw/zinc/43/32/56/387433256.db2.gz YZYJONZFHYDFBN-ZDUSSCGKSA-N 2 0 217.316 1.835 10 0 BDAERP [NH3+][C@H]1CCCCCN(C2CSC2)C1 ZINC000575547022 387636941 /nfs/dbraw/zinc/63/69/41/387636941.db2.gz WGIPXQSWNSNWFZ-VIFPVBQESA-N 2 0 200.351 1.305 10 0 BDAERP C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000422796056 387695597 /nfs/dbraw/zinc/69/55/97/387695597.db2.gz XLMVFAUOMCRWNY-IUODEOHRSA-N 2 0 247.386 1.487 10 0 BDAERP CC[N@@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422743031 387690124 /nfs/dbraw/zinc/69/01/24/387690124.db2.gz STODBIXONWTGDV-RBKKPWLPSA-N 2 0 237.391 1.343 10 0 BDAERP C[C@H](C[NH2+]C1CC[NH2+]CC1)Oc1ccccc1 ZINC000422975973 387826143 /nfs/dbraw/zinc/82/61/43/387826143.db2.gz CKJBHIOTENUFCG-GFCCVEGCSA-N 2 0 234.343 1.796 10 0 BDAERP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643459130 387832746 /nfs/dbraw/zinc/83/27/46/387832746.db2.gz BCVANIZKEUJYAX-KGLIPLIRSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)O1 ZINC000193606341 387858759 /nfs/dbraw/zinc/85/87/59/387858759.db2.gz BGXOKFMKDHJIEB-WUHRBBMRSA-N 2 0 224.348 1.047 10 0 BDAERP C[N@H+]1C[C@@H]2C[NH+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000193612511 387859672 /nfs/dbraw/zinc/85/96/72/387859672.db2.gz IMHJIPGNCJXQNT-XQQFMLRXSA-N 2 0 206.333 1.589 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168733183 387908045 /nfs/dbraw/zinc/90/80/45/387908045.db2.gz WJHHHPWJZFDHQP-RYUDHWBXSA-N 2 0 212.337 1.287 10 0 BDAERP Cc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)nc1 ZINC000423164119 387946328 /nfs/dbraw/zinc/94/63/28/387946328.db2.gz NXZDYRYOYAJQFE-CYBMUJFWSA-N 2 0 233.359 1.664 10 0 BDAERP CC[NH+](CC)CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245686372 387970920 /nfs/dbraw/zinc/97/09/20/387970920.db2.gz VGHWQMZJUYDPCV-ZIAGYGMSSA-N 2 0 239.407 1.497 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000400461586 387957150 /nfs/dbraw/zinc/95/71/50/387957150.db2.gz RQKBZRWVXPQLQG-YNEHKIRRSA-N 2 0 208.349 1.930 10 0 BDAERP COc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400486749 387976963 /nfs/dbraw/zinc/97/69/63/387976963.db2.gz XSLQUXZMQBIBIN-GXTWGEPZSA-N 2 0 248.370 1.825 10 0 BDAERP C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400324015 388115816 /nfs/dbraw/zinc/11/58/16/388115816.db2.gz BYSYJVHZTCDUGD-WCFLWFBJSA-N 2 0 226.364 1.125 10 0 BDAERP COCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336661357 388106078 /nfs/dbraw/zinc/10/60/78/388106078.db2.gz CBUSRTOBUSMZQS-BJDJZHNGSA-N 2 0 212.337 1.081 10 0 BDAERP FC1(F)CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000335025362 388446896 /nfs/dbraw/zinc/44/68/96/388446896.db2.gz JIHPGARPRBAOTG-SECBINFHSA-N 2 0 204.264 1.516 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CS1 ZINC000307367269 388422926 /nfs/dbraw/zinc/42/29/26/388422926.db2.gz MTAAWOVLSLMSNZ-OUAUKWLOSA-N 2 0 214.378 1.612 10 0 BDAERP COC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400415967 388426071 /nfs/dbraw/zinc/42/60/71/388426071.db2.gz VGEKJLCALVIKNQ-WOPDTQHZSA-N 2 0 214.353 1.245 10 0 BDAERP CCC[C@@H](C[NH2+][C@H]1CCN(CC)C1)OC ZINC000378738192 388492568 /nfs/dbraw/zinc/49/25/68/388492568.db2.gz GRURFHJIZKZHKG-RYUDHWBXSA-N 2 0 214.353 1.485 10 0 BDAERP CC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248373903 388676752 /nfs/dbraw/zinc/67/67/52/388676752.db2.gz MIWZJQIGWQFDEC-STQMWFEESA-N 2 0 242.407 1.810 10 0 BDAERP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000530224064 388633992 /nfs/dbraw/zinc/63/39/92/388633992.db2.gz KTGOZCGHEPYNLK-DFGGLBSJSA-N 2 0 226.364 1.658 10 0 BDAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000530224974 388634113 /nfs/dbraw/zinc/63/41/13/388634113.db2.gz NLWALHJBXXIWFU-DTHBNOIPSA-N 2 0 212.337 1.140 10 0 BDAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC=C(Cl)C2)C1 ZINC000575456797 388789180 /nfs/dbraw/zinc/78/91/80/388789180.db2.gz RXTCBECWSGYKBI-WAAGHKOSSA-N 2 0 200.713 1.552 10 0 BDAERP CC1CN([C@@]2(C[NH3+])CCS[C@H]2C)C1 ZINC000575462956 388828877 /nfs/dbraw/zinc/82/88/77/388828877.db2.gz QMQWYOOWRFRSIG-VHSXEESVSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@H]1C[N@H+](CC2CSC2)CC[C@H]1[NH3+] ZINC000575488497 388880227 /nfs/dbraw/zinc/88/02/27/388880227.db2.gz SMDQROCNKRCAIN-WCBMZHEXSA-N 2 0 200.351 1.019 10 0 BDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12C[C@@H]([NH3+])CO2 ZINC000575508448 389001860 /nfs/dbraw/zinc/00/18/60/389001860.db2.gz LXOGYKJKBIUWKC-NWANDNLSSA-N 2 0 246.354 1.767 10 0 BDAERP C[NH2+]Cc1cccc(N2CCC([NH+](C)C)CC2)n1 ZINC000051444740 132361358 /nfs/dbraw/zinc/36/13/58/132361358.db2.gz DWDZMUKYDUVHBM-UHFFFAOYSA-N 2 0 248.374 1.331 10 0 BDAERP Cc1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000068136412 132390070 /nfs/dbraw/zinc/39/00/70/132390070.db2.gz UQNPOPHMCCSXIA-UHFFFAOYSA-N 2 0 227.311 1.953 10 0 BDAERP CCC(O)(CC)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000165454070 133659253 /nfs/dbraw/zinc/65/92/53/133659253.db2.gz BGFXWUDJDAVPDL-UHFFFAOYSA-N 2 0 242.407 1.811 10 0 BDAERP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000178260165 134305626 /nfs/dbraw/zinc/30/56/26/134305626.db2.gz HJKDOBVFLPAEQC-KOLCDFICSA-N 2 0 233.315 1.254 10 0 BDAERP CCC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183870930 134356926 /nfs/dbraw/zinc/35/69/26/134356926.db2.gz ZFTHNAAVHMWNDL-PSEXLTFBSA-N 2 0 226.364 1.362 10 0 BDAERP CC1CCC(C[NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000231329862 134541941 /nfs/dbraw/zinc/54/19/41/134541941.db2.gz BQMISUMFICHZTQ-RUXDESIVSA-N 2 0 242.407 1.715 10 0 BDAERP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251155628 135064858 /nfs/dbraw/zinc/06/48/58/135064858.db2.gz BJJMVYFDYBIFCV-WUHRBBMRSA-N 2 0 226.364 1.268 10 0 BDAERP CC(C)C[C@H]([NH3+])CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251448037 135069808 /nfs/dbraw/zinc/06/98/08/135069808.db2.gz WRAHSUAYUPGDRC-STQMWFEESA-N 2 0 225.380 1.140 10 0 BDAERP [NH3+][C@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261527271 135150757 /nfs/dbraw/zinc/15/07/57/135150757.db2.gz IYQVIYLVIGCNFX-UWVGGRQHSA-N 2 0 218.291 1.845 10 0 BDAERP CCC1(C[NH2+]CC[C@H]2CC[NH2+]C2)CCOCC1 ZINC000261547634 135240765 /nfs/dbraw/zinc/24/07/65/135240765.db2.gz IHYFANRCCLNXJS-CYBMUJFWSA-N 2 0 240.391 1.782 10 0 BDAERP CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261997997 135270589 /nfs/dbraw/zinc/27/05/89/135270589.db2.gz SZZWDMBPLYOOSB-RYUDHWBXSA-N 2 0 226.364 1.472 10 0 BDAERP CC1(C)CCC(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263150628 135335592 /nfs/dbraw/zinc/33/55/92/135335592.db2.gz DASDEVHILWRTJM-CHWSQXEVSA-N 2 0 240.391 1.373 10 0 BDAERP CCC(CC)(CC)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263214476 135340449 /nfs/dbraw/zinc/34/04/49/135340449.db2.gz KSDZZAWZWFKCBD-NEPJUHHUSA-N 2 0 228.380 1.373 10 0 BDAERP C[C@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263251019 135342377 /nfs/dbraw/zinc/34/23/77/135342377.db2.gz PXMLRUYCYAEAMG-RTXFEEFZSA-N 2 0 226.364 1.125 10 0 BDAERP C[C@]([NH3+])(C[N@@H+]1CCCSCC1)C1CC1 ZINC000042444962 398015990 /nfs/dbraw/zinc/01/59/90/398015990.db2.gz LIOJEZIJWWTSGM-NSHDSACASA-N 2 0 214.378 1.553 10 0 BDAERP CC(C)[NH2+]C[C@H]1CCN(CC[N@H+](C)C(C)C)C1 ZINC000054127391 167114387 /nfs/dbraw/zinc/11/43/87/167114387.db2.gz FRNYQCMICCTDSS-CQSZACIVSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](C)C(N)=O ZINC000037227270 169776652 /nfs/dbraw/zinc/77/66/52/169776652.db2.gz YPDRHZZGHSDDSF-RYUDHWBXSA-N 2 0 243.395 1.208 10 0 BDAERP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H]1CO ZINC000051254895 167002772 /nfs/dbraw/zinc/00/27/72/167002772.db2.gz PDAMWORFFSFFCC-CYBMUJFWSA-N 2 0 242.407 1.715 10 0 BDAERP CC(C)[NH2+]CC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000104412937 167100555 /nfs/dbraw/zinc/10/05/55/167100555.db2.gz MJZSOMVNTVXZML-KGLIPLIRSA-N 2 0 240.391 1.610 10 0 BDAERP CC(C)[NH2+]C[C@@]1(C[N@H+](C)C2CC2)CCCOC1 ZINC000104311861 167114150 /nfs/dbraw/zinc/11/41/50/167114150.db2.gz WJGPYIGRMATNRM-CQSZACIVSA-N 2 0 240.391 1.875 10 0 BDAERP CC[NH+](CC)CCSC1=[NH+]CCN1 ZINC000004747669 169783364 /nfs/dbraw/zinc/78/33/64/169783364.db2.gz UDAYLABGJCKNED-UHFFFAOYSA-N 2 0 201.339 1.021 10 0 BDAERP Cn1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cn1 ZINC000310394189 411234794 /nfs/dbraw/zinc/23/47/94/411234794.db2.gz JHUQBBLCNJXBEL-DGCLKSJQSA-N 2 0 234.347 1.167 10 0 BDAERP C1[C@H]2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C[C@@H]12 ZINC000403687553 411353873 /nfs/dbraw/zinc/35/38/73/411353873.db2.gz RKNQTGXIMDTHBS-FDYHWXHSSA-N 2 0 208.349 1.907 10 0 BDAERP CC[NH+]1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000052422170 169999151 /nfs/dbraw/zinc/99/91/51/169999151.db2.gz LAOGKTVCNJDHJK-CQSZACIVSA-N 2 0 241.423 1.647 10 0 BDAERP CCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000037034914 170086543 /nfs/dbraw/zinc/08/65/43/170086543.db2.gz TZAMYGBVOOCOHA-LLVKDONJSA-N 2 0 249.358 1.102 10 0 BDAERP CC[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC000052170977 170108911 /nfs/dbraw/zinc/10/89/11/170108911.db2.gz QPOQKCNLQUGKGO-UHFFFAOYSA-N 2 0 226.364 1.487 10 0 BDAERP CC[NH2+]CC1(C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182180 170111081 /nfs/dbraw/zinc/11/10/81/170111081.db2.gz DZOFWJNSHFLJRV-ZDUSSCGKSA-N 2 0 240.391 1.735 10 0 BDAERP CC[NH2+]CCNCCC[N@@H+]1CCCC[C@H]1C ZINC000049475198 170115248 /nfs/dbraw/zinc/11/52/48/170115248.db2.gz CYQCBGKOVVYMLI-CYBMUJFWSA-N 2 0 227.396 1.450 10 0 BDAERP CC[NH2+]C[C@@]1(C[NH+]2CCC(C)CC2)CCOC1 ZINC000051207920 170121128 /nfs/dbraw/zinc/12/11/28/170121128.db2.gz HMFXKFWCVPOFFW-CQSZACIVSA-N 2 0 240.391 1.735 10 0 BDAERP CC[NH2+]C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573448 170121794 /nfs/dbraw/zinc/12/17/94/170121794.db2.gz VDTIYLDIWBEZBO-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH2+]Cc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000051437392 170127390 /nfs/dbraw/zinc/12/73/90/170127390.db2.gz CYESEJMDCPDDQK-UHFFFAOYSA-N 2 0 248.374 1.333 10 0 BDAERP CC[NH2+]Cc1sc(CC[NH+](C)C)nc1C ZINC000062214416 170132456 /nfs/dbraw/zinc/13/24/56/170132456.db2.gz XABDVZSOSQXVIV-UHFFFAOYSA-N 2 0 227.377 1.665 10 0 BDAERP CC[NH2+]Cc1coc(C[N@H+](C)CCCOC)c1 ZINC000062036152 170130619 /nfs/dbraw/zinc/13/06/19/170130619.db2.gz KAGLKRYAMJKALQ-UHFFFAOYSA-N 2 0 240.347 1.857 10 0 BDAERP CC[NH2+][C@@H](C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065623 170139552 /nfs/dbraw/zinc/13/95/52/170139552.db2.gz NOGSRFOEFYNALR-STQMWFEESA-N 2 0 227.396 1.401 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCC(O)CC1 ZINC000053860488 170150211 /nfs/dbraw/zinc/15/02/11/170150211.db2.gz SPTZMUVPBGNKHI-DGCLKSJQSA-N 2 0 226.364 1.221 10 0 BDAERP CC[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)[C@H](C)C1 ZINC000104193756 170151447 /nfs/dbraw/zinc/15/14/47/170151447.db2.gz ZQSCLSIUWGHPNX-TZMCWYRMSA-N 2 0 240.391 1.875 10 0 BDAERP CC[NH2+][C@H]1CCC[C@H]1CN1CCC[N@H+](C)CC1 ZINC000053863881 170166591 /nfs/dbraw/zinc/16/65/91/170166591.db2.gz LZTIQRWRVUESEI-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP CCOC(=O)[C@@H](C)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104143639 170245157 /nfs/dbraw/zinc/24/51/57/170245157.db2.gz SQZXDIBNXJHCGT-WDEREUQCSA-N 2 0 242.363 1.245 10 0 BDAERP CCOC(CN(C)C[C@H]1CC[N@H+](C)C1)OCC ZINC000104357644 170314583 /nfs/dbraw/zinc/31/45/83/170314583.db2.gz TWZRXJXUQWHHMO-LBPRGKRZSA-N 2 0 244.379 1.269 10 0 BDAERP CCOCCC[NH2+]C[C@H](C)N1CCCOCC1 ZINC000061936641 170380521 /nfs/dbraw/zinc/38/05/21/170380521.db2.gz JOBYPVPABWGWLH-ZDUSSCGKSA-N 2 0 244.379 1.113 10 0 BDAERP CC[C@@H]1CC[N@@H+]([C@@H](C)COC)CCC[NH2+]1 ZINC000049663774 171013749 /nfs/dbraw/zinc/01/37/49/171013749.db2.gz HBLOHZHOWQJVMT-NWDGAFQWSA-N 2 0 214.353 1.485 10 0 BDAERP CC[C@@H]1CO[C@@H](C)CN1C1CC[NH2+]CC1 ZINC000042450894 171108361 /nfs/dbraw/zinc/10/83/61/171108361.db2.gz LIDTYMGIEVDQHH-WDEREUQCSA-N 2 0 212.337 1.238 10 0 BDAERP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+]1CCC[C@H](O)C1 ZINC000051257225 171167426 /nfs/dbraw/zinc/16/74/26/171167426.db2.gz VYNNLOPZFYHWRD-KBPBESRZSA-N 2 0 242.407 1.857 10 0 BDAERP CC[C@H](C)[NH2+]CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049221265 171338896 /nfs/dbraw/zinc/33/88/96/171338896.db2.gz PGYOEVQFZSVYIG-NWDGAFQWSA-N 2 0 243.395 1.077 10 0 BDAERP CC[C@H](C)[C@@H]([NH3+])CN1CCC(C[NH+](C)C)CC1 ZINC000042388634 171372985 /nfs/dbraw/zinc/37/29/85/171372985.db2.gz VRIIZXJZWXAYHU-JSGCOSHPSA-N 2 0 241.423 1.633 10 0 BDAERP C[C@H]([NH2+]CCc1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000665263505 412207598 /nfs/dbraw/zinc/20/75/98/412207598.db2.gz NPEWZSQROQEMNO-AAEUAGOBSA-N 2 0 222.332 1.800 10 0 BDAERP C[NH2+]C[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000663281570 412409218 /nfs/dbraw/zinc/40/92/18/412409218.db2.gz XWKLJZSIUOPAEG-SNVBAGLBSA-N 2 0 215.300 1.677 10 0 BDAERP CCc1nccn1Cc1ccnc(NC)c1 ZINC000052733956 172027340 /nfs/dbraw/zinc/02/73/40/172027340.db2.gz MREJIFRKSZKXER-UHFFFAOYSA-N 2 0 216.288 1.931 10 0 BDAERP C[NH+](C)C1CCN([C@@](C)(C[NH3+])C2CC2)CC1 ZINC000036191711 172407940 /nfs/dbraw/zinc/40/79/40/172407940.db2.gz QMEXLNLFWOYVAJ-ZDUSSCGKSA-N 2 0 225.380 1.140 10 0 BDAERP C[NH+](C)CCCNCC[NH+]1CCCCC1 ZINC000041227174 172440511 /nfs/dbraw/zinc/44/05/11/172440511.db2.gz MHNPKHCBQKCJNO-UHFFFAOYSA-N 2 0 213.369 1.014 10 0 BDAERP CN([C@@H](C[NH3+])c1ccccn1)C1CC[NH+](C)CC1 ZINC000019275628 172988032 /nfs/dbraw/zinc/98/80/32/172988032.db2.gz KXIBDDHIHJXPFC-AWEZNQCLSA-N 2 0 248.374 1.107 10 0 BDAERP CN1CCC[N@H+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952490 173015255 /nfs/dbraw/zinc/01/52/55/173015255.db2.gz SAUIUVLZZHNYQM-AWEZNQCLSA-N 2 0 239.407 1.546 10 0 BDAERP C[N@@H+]1CCC[C@@H]1CCOC1CC[NH2+]CC1 ZINC000040240612 173027555 /nfs/dbraw/zinc/02/75/55/173027555.db2.gz DUUDWIPPCSGUPX-LLVKDONJSA-N 2 0 212.337 1.239 10 0 BDAERP C[N@@H+]1CCC[C@@H]1CCOc1ccnc(C(N)=[NH2+])c1 ZINC000061814641 173028248 /nfs/dbraw/zinc/02/82/48/173028248.db2.gz FGWXGMSRHJLONC-SNVBAGLBSA-N 2 0 248.330 1.229 10 0 BDAERP C[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2N)C1 ZINC000040715740 173045582 /nfs/dbraw/zinc/04/55/82/173045582.db2.gz RXEQYLNITPEZMN-VIFPVBQESA-N 2 0 206.293 1.170 10 0 BDAERP C[N@@H+]1CCC[C@H]1CCOCCC[NH2+]C1CC1 ZINC000052673126 173052314 /nfs/dbraw/zinc/05/23/14/173052314.db2.gz IUEWLZFMHCMDEC-ZDUSSCGKSA-N 2 0 226.364 1.629 10 0 BDAERP C[NH+]1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000020071636 173082518 /nfs/dbraw/zinc/08/25/18/173082518.db2.gz NANWYNNVYUABLP-CQSZACIVSA-N 2 0 233.359 1.324 10 0 BDAERP C[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2ccc(F)cc2)C1 ZINC000036352052 173148233 /nfs/dbraw/zinc/14/82/33/173148233.db2.gz MNZRUJJUKNTAGB-YPMHNXCESA-N 2 0 222.307 1.647 10 0 BDAERP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCC[C@H]3O)C2)C1 ZINC000310464747 173166500 /nfs/dbraw/zinc/16/65/00/173166500.db2.gz ZAIUNIFATQGSIC-MCIONIFRSA-N 2 0 238.375 1.318 10 0 BDAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC[C@@H]1CCCO1)C2 ZINC000038096018 173206865 /nfs/dbraw/zinc/20/68/65/173206865.db2.gz IHYYJOFPQYHYDE-GSPSYOTPSA-N 2 0 238.375 1.770 10 0 BDAERP C[NH2+]CC[C@@H](O)C[N@H+](C)C1CCCCCC1 ZINC000077342808 173358423 /nfs/dbraw/zinc/35/84/23/173358423.db2.gz PDEPMNFREIJGNY-CYBMUJFWSA-N 2 0 228.380 1.611 10 0 BDAERP COC1CC[NH+]([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037265720 174031734 /nfs/dbraw/zinc/03/17/34/174031734.db2.gz XFJGOIUKVFXBLQ-PWSUYJOCSA-N 2 0 212.337 1.225 10 0 BDAERP COCCC[NH+]1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665815 174235002 /nfs/dbraw/zinc/23/50/02/174235002.db2.gz PZSVFGWNMVFQHL-RYUDHWBXSA-N 2 0 214.353 1.200 10 0 BDAERP COCC[N@H+](CC1CC[NH2+]CC1)[C@H](C)C1CC1 ZINC000042689331 174289395 /nfs/dbraw/zinc/28/93/95/174289395.db2.gz OQIPAPOWUQKFNJ-GFCCVEGCSA-N 2 0 240.391 1.733 10 0 BDAERP COCC[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665413 174312807 /nfs/dbraw/zinc/31/28/07/174312807.db2.gz ULQFBZHIXWRLGL-PHIMTYICSA-N 2 0 200.326 1.095 10 0 BDAERP COCC[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049665414 174313478 /nfs/dbraw/zinc/31/34/78/174313478.db2.gz ULQFBZHIXWRLGL-QWRGUYRKSA-N 2 0 200.326 1.095 10 0 BDAERP COc1cc([C@@H](C)[NH3+])ccc1OCC[NH+](C)C ZINC000022222650 175013513 /nfs/dbraw/zinc/01/35/13/175013513.db2.gz GYKXSJRNJVCHTA-SNVBAGLBSA-N 2 0 238.331 1.655 10 0 BDAERP COc1ccc(CC[N@H+](C)C[C@H](C)C[NH3+])cc1 ZINC000049828326 175089675 /nfs/dbraw/zinc/08/96/75/175089675.db2.gz BYTYJGKLLPBJSV-GFCCVEGCSA-N 2 0 236.359 1.764 10 0 BDAERP COc1ccc(F)cc1[C@H](C[NH3+])CC[NH+](C)C ZINC000041283768 175134504 /nfs/dbraw/zinc/13/45/04/175134504.db2.gz DSCRCKJNYHBBBF-JTQLQIEISA-N 2 0 240.322 1.828 10 0 BDAERP COc1ccc(OC)c([C@@H](C[NH3+])C[NH+](C)C)c1 ZINC000041280538 175167362 /nfs/dbraw/zinc/16/73/62/175167362.db2.gz PSIBJIDQDIRZKD-JTQLQIEISA-N 2 0 238.331 1.308 10 0 BDAERP COc1ccc([C@@H](CC[NH3+])C[NH+](C)C)cc1 ZINC000076611350 175178062 /nfs/dbraw/zinc/17/80/62/175178062.db2.gz CSYHCGIPRQHGDC-LBPRGKRZSA-N 2 0 222.332 1.689 10 0 BDAERP COc1ccc([C@@H](CC[NH3+])[NH+](C)C)cc1OC ZINC000019673453 175178452 /nfs/dbraw/zinc/17/84/52/175178452.db2.gz ALSZZCBCKQAZSM-LLVKDONJSA-N 2 0 238.331 1.655 10 0 BDAERP COc1cccc(C[C@@H](C[NH3+])C[NH+]2CCCC2)c1 ZINC000011800177 175270790 /nfs/dbraw/zinc/27/07/90/175270790.db2.gz JXJQBAJAEURMJY-AWEZNQCLSA-N 2 0 248.370 1.908 10 0 BDAERP COc1cccc2cc(C[NH2+]CCC[NH3+])oc21 ZINC000037713715 175306786 /nfs/dbraw/zinc/30/67/86/175306786.db2.gz XPUSJCUEUHPYKR-UHFFFAOYSA-N 2 0 234.299 1.880 10 0 BDAERP COc1ccccc1C[C@@H](C[NH3+])C[NH+](C)C ZINC000011799970 175332483 /nfs/dbraw/zinc/33/24/83/175332483.db2.gz LKOWEPPRGNLLDT-NSHDSACASA-N 2 0 222.332 1.374 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2occc2C[NH3+])C1 ZINC000052381304 176103121 /nfs/dbraw/zinc/10/31/21/176103121.db2.gz AIGDRZOILPDMCD-SNVBAGLBSA-N 2 0 208.305 1.970 10 0 BDAERP C[C@@H]1CCC[C@@H]([N@H+](C)CCNCC[NH+](C)C)C1 ZINC000053426676 176120885 /nfs/dbraw/zinc/12/08/85/176120885.db2.gz MLRURICTDAQGJO-ZIAGYGMSSA-N 2 0 241.423 1.648 10 0 BDAERP C[C@@H]1CC[NH2+]C[C@H]1Nc1nc2ccccc2n1C ZINC000335655998 176186377 /nfs/dbraw/zinc/18/63/77/176186377.db2.gz GWKNEEFVDVUEFM-ZYHUDNBSSA-N 2 0 244.342 1.983 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CC1CCOCC1 ZINC000052173161 176202068 /nfs/dbraw/zinc/20/20/68/176202068.db2.gz FOCBECLADCKFDF-YPMHNXCESA-N 2 0 226.364 1.472 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051693979 176279185 /nfs/dbraw/zinc/27/91/85/176279185.db2.gz DZSBLBNHPNQMBA-AYZDXNEBSA-N 3 0 239.407 1.575 10 0 BDAERP C[C@@H]1C[N@H+](CCc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712375 176293658 /nfs/dbraw/zinc/29/36/58/176293658.db2.gz UMDAPTVHJKHRMV-YPMHNXCESA-N 2 0 219.332 1.293 10 0 BDAERP C[C@@H]1C[NH2+]C(C)(C)CN1CCC[NH+](C)C ZINC000041227194 176324758 /nfs/dbraw/zinc/32/47/58/176324758.db2.gz MSYBIPSDSXGYQT-LLVKDONJSA-N 2 0 213.369 1.010 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+]([C@@H]2CCCN(C)C2)C1 ZINC000049667050 176328854 /nfs/dbraw/zinc/32/88/54/176328854.db2.gz WJSCNCGKRFIQIG-MGPQQGTHSA-N 2 0 239.407 1.258 10 0 BDAERP C[C@@H]1COCC[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952659 176335454 /nfs/dbraw/zinc/33/54/54/176335454.db2.gz ABCLVLLXWSRJPI-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccncc1 ZINC000049712965 176370478 /nfs/dbraw/zinc/37/04/78/176370478.db2.gz CFKBVIKHHCBRTB-YPMHNXCESA-N 2 0 219.332 1.436 10 0 BDAERP C[C@H]1CCC[N@@H+]1[C@]1(CN)CCCSC1 ZINC000061590096 177111870 /nfs/dbraw/zinc/11/18/70/177111870.db2.gz JEUHZEMNUUGWGO-QWRGUYRKSA-N 2 0 214.378 1.695 10 0 BDAERP C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000044510699 177160374 /nfs/dbraw/zinc/16/03/74/177160374.db2.gz MQACKZGAGONALR-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP C[C@H]1CCN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000044538705 177162317 /nfs/dbraw/zinc/16/23/17/177162317.db2.gz UUUJKKJBLGYMPV-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1CN(CC[NH2+]Cc2ccccc2)CC[N@@H+]1C ZINC000104135056 177253047 /nfs/dbraw/zinc/25/30/47/177253047.db2.gz KPDFZVYPHNXPJF-AWEZNQCLSA-N 2 0 247.386 1.412 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCc2ccco2)C1 ZINC000049667389 177285407 /nfs/dbraw/zinc/28/54/07/177285407.db2.gz YXTFDZYKZZORGC-STQMWFEESA-N 2 0 236.359 2.000 10 0 BDAERP C[C@@H]([C@@H]1CCCO1)[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666231 177285483 /nfs/dbraw/zinc/28/54/83/177285483.db2.gz UMPBXFGHWKISGW-CRWXNKLISA-N 2 0 240.391 1.731 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](Cc2ccncc2)C1 ZINC000049666623 177286039 /nfs/dbraw/zinc/28/60/39/177286039.db2.gz SMDSWWCRVNJVQB-BETUJISGSA-N 2 0 233.359 1.759 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CCc2ccncc2)C1 ZINC000049666820 177286143 /nfs/dbraw/zinc/28/61/43/177286143.db2.gz NMYNZILLPNQADY-OKILXGFUSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@H]1CSC(NCC2CC[NH+](C)CC2)=[NH+]1 ZINC000044526498 177302847 /nfs/dbraw/zinc/30/28/47/177302847.db2.gz WEAAHQKMCAKQBU-VIFPVBQESA-N 2 0 227.377 1.409 10 0 BDAERP C[C@H]1CSC(N[C@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000040715981 177303084 /nfs/dbraw/zinc/30/30/84/177303084.db2.gz JSPSGHVKGQGLOJ-IUCAKERBSA-N 2 0 213.350 1.162 10 0 BDAERP C[C@H]1CSC(NCC[NH+]2CCCCC2)=[NH+]1 ZINC000049575373 177303116 /nfs/dbraw/zinc/30/31/16/177303116.db2.gz KTURSTBZIJPLIA-JTQLQIEISA-N 2 0 227.377 1.553 10 0 BDAERP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000132836058 177371116 /nfs/dbraw/zinc/37/11/16/177371116.db2.gz LOOBJBFPGJOIDU-XQQFMLRXSA-N 2 0 226.364 1.628 10 0 BDAERP C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400416657 225224869 /nfs/dbraw/zinc/22/48/69/225224869.db2.gz VOSKJJJCXOWMPU-TUAOUCFPSA-N 2 0 212.337 1.143 10 0 BDAERP C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400444307 226343738 /nfs/dbraw/zinc/34/37/38/226343738.db2.gz PEMIAPLNVVDKOQ-TZMCWYRMSA-N 2 0 218.344 1.817 10 0 BDAERP COCc1cccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400461636 226344046 /nfs/dbraw/zinc/34/40/46/226344046.db2.gz RSEMWUWLRSKVOW-IUODEOHRSA-N 2 0 248.370 1.921 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000400569844 226346763 /nfs/dbraw/zinc/34/67/63/226346763.db2.gz NJXUVEUAZMVXFS-RWMBFGLXSA-N 2 0 226.364 1.533 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000245607954 487702086 /nfs/dbraw/zinc/70/20/86/487702086.db2.gz KNJHTZMOLBUVST-YNEHKIRRSA-N 2 0 226.364 1.173 10 0 BDAERP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000400508149 533687452 /nfs/dbraw/zinc/68/74/52/533687452.db2.gz KQZOVANXOCEOPP-JQWIXIFHSA-N 2 0 235.331 1.178 10 0 BDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000300424604 487783678 /nfs/dbraw/zinc/78/36/78/487783678.db2.gz WSHWEQFWTSBIMI-RYUDHWBXSA-N 2 0 243.395 1.206 10 0 BDAERP CCCCOCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400402364 528611069 /nfs/dbraw/zinc/61/10/69/528611069.db2.gz QPRSCIAOSCXQGS-NEPJUHHUSA-N 2 0 214.353 1.391 10 0 BDAERP C[C@@H]1SCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000235370662 487947348 /nfs/dbraw/zinc/94/73/48/487947348.db2.gz ABURUHUWXUSLQX-IDWGSYCQSA-N 2 0 214.378 1.740 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000560970659 322993931 /nfs/dbraw/zinc/99/39/31/322993931.db2.gz KNPNAOKOCIKWMU-SRVKXCTJSA-N 2 0 212.337 1.143 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403765772 323013039 /nfs/dbraw/zinc/01/30/39/323013039.db2.gz SEFZSYZVOBHAET-UTUOFQBUSA-N 2 0 208.349 1.764 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000569684504 323036765 /nfs/dbraw/zinc/03/67/65/323036765.db2.gz GWMBBIBUZAYBJV-RDBSUJKOSA-N 2 0 241.423 1.693 10 0 BDAERP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccn1 ZINC000571550710 323148262 /nfs/dbraw/zinc/14/82/62/323148262.db2.gz RJGVZFQOXOOQKQ-YPMHNXCESA-N 2 0 249.358 1.568 10 0 BDAERP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400340731 324166980 /nfs/dbraw/zinc/16/69/80/324166980.db2.gz GQKUCQUZKABSNT-VGMNWLOBSA-N 2 0 224.270 1.915 10 0 BDAERP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CC[NH2+]C1 ZINC000400779914 324168176 /nfs/dbraw/zinc/16/81/76/324168176.db2.gz PBLASQLRQKKGMC-YPMHNXCESA-N 2 0 234.343 1.522 10 0 BDAERP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400796115 324168684 /nfs/dbraw/zinc/16/86/84/324168684.db2.gz SUXUQLJHHVLEOT-XBFCOCLRSA-N 2 0 234.343 1.308 10 0 BDAERP C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000566555623 326063282 /nfs/dbraw/zinc/06/32/82/326063282.db2.gz BZCMYRVYNPCPMF-MFKMUULPSA-N 2 0 226.364 1.125 10 0 BDAERP Cc1cccnc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566732279 326077519 /nfs/dbraw/zinc/07/75/19/326077519.db2.gz VNQYILXNIAQYGF-KGLIPLIRSA-N 2 0 247.386 1.910 10 0 BDAERP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567639903 326236944 /nfs/dbraw/zinc/23/69/44/326236944.db2.gz CVVCWVIMIKXAHU-XQQFMLRXSA-N 2 0 228.380 1.229 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567647069 326238177 /nfs/dbraw/zinc/23/81/77/326238177.db2.gz QVCQXMOIBLHKML-YNEHKIRRSA-N 2 0 242.407 1.761 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000217628920 490476605 /nfs/dbraw/zinc/47/66/05/490476605.db2.gz UZXBQTUUOKYWPO-IACUBPJLSA-N 2 0 240.391 1.610 10 0 BDAERP COCC[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757125556 582500407 /nfs/dbraw/zinc/50/04/07/582500407.db2.gz FCECGHDMALYVJJ-HZSPNIEDSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757150090 582533577 /nfs/dbraw/zinc/53/35/77/582533577.db2.gz PXTWPGUTRXITNH-PJXYFTJBSA-N 2 0 224.348 1.491 10 0 BDAERP C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757150080 582533920 /nfs/dbraw/zinc/53/39/20/582533920.db2.gz PXTWPGUTRXITNH-GHMZBOCLSA-N 2 0 224.348 1.491 10 0 BDAERP C[C@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400390050 533856768 /nfs/dbraw/zinc/85/67/68/533856768.db2.gz ZLBPLWQDNQZXDC-UONOGXRCSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000400326231 533881261 /nfs/dbraw/zinc/88/12/61/533881261.db2.gz CJPFSDRMOHPKLP-RVMXOQNASA-N 2 0 226.364 1.268 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@H]1CC[NH2+]C1 ZINC000400552081 533887615 /nfs/dbraw/zinc/88/76/15/533887615.db2.gz YAPDZRHORVIBKC-UBHSHLNASA-N 2 0 246.354 1.578 10 0 BDAERP C[C@H]([NH2+]C[C@@]1(C)CCCS1)[C@H]1CC[NH2+]C1 ZINC000400339380 533892932 /nfs/dbraw/zinc/89/29/32/533892932.db2.gz GIGYJWNHSPQSET-SDDRHHMPSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000400461582 533905662 /nfs/dbraw/zinc/90/56/62/533905662.db2.gz RQKBZRWVXPQLQG-AVGNSLFASA-N 2 0 208.349 1.930 10 0 BDAERP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@H]1CC[NH2+]C1 ZINC000400741201 533925587 /nfs/dbraw/zinc/92/55/87/533925587.db2.gz SVXUIZKCCNNXDO-JQWIXIFHSA-N 2 0 248.326 1.503 10 0 BDAERP CC(C)(C)C[C@H](O)C[NH2+]C1CCC([NH3+])CC1 ZINC000226063933 534650174 /nfs/dbraw/zinc/65/01/74/534650174.db2.gz WTWCARIPJZZPPO-MCIGGMRASA-N 2 0 228.380 1.643 10 0 BDAERP CC(C)COCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400722222 528094545 /nfs/dbraw/zinc/09/45/45/528094545.db2.gz OUPTWPGEWCXLBH-OLZOCXBDSA-N 2 0 228.380 1.637 10 0 BDAERP CC(C)C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000400350008 528531556 /nfs/dbraw/zinc/53/15/56/528531556.db2.gz JRFYCFGKHUAAIM-BFHYXJOUSA-N 2 0 241.423 1.550 10 0 BDAERP CCOC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400732498 528995901 /nfs/dbraw/zinc/99/59/01/528995901.db2.gz QYNFDZUMEHJDPP-UPJWGTAASA-N 2 0 228.380 1.635 10 0 BDAERP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)OC ZINC000400729216 529248643 /nfs/dbraw/zinc/24/86/43/529248643.db2.gz QEMCKECTDRAIEK-CYDGBPFRSA-N 2 0 228.380 1.635 10 0 BDAERP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251410532 535280668 /nfs/dbraw/zinc/28/06/68/535280668.db2.gz NSRZJTPUUCNZHM-KGLIPLIRSA-N 2 0 239.407 1.530 10 0 BDAERP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000252730974 536878167 /nfs/dbraw/zinc/87/81/67/536878167.db2.gz NTHXGKWLTCSAOI-WHOHXGKFSA-N 2 0 214.353 1.482 10 0 BDAERP O=C(C[C@H]1CCCC[NH2+]1)C[C@H]1CCCC[NH2+]1 ZINC000000896067 560178870 /nfs/dbraw/zinc/17/88/70/560178870.db2.gz JFMCQBGTUJUOAB-VXGBXAGGSA-N 2 0 224.348 1.620 10 0 in-vitro BDAERP COC[C@H](C)C[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757128259 582503438 /nfs/dbraw/zinc/50/34/38/582503438.db2.gz JWMQKBGFOKQSFE-MCIONIFRSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1CC[C@]2(CCCN2CC[NH+](C)C)C[NH2+]1 ZINC000757127987 582503518 /nfs/dbraw/zinc/50/35/18/582503518.db2.gz IMWLYRMQYQRHDL-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP COCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757130873 582504918 /nfs/dbraw/zinc/50/49/18/582504918.db2.gz OKFGBVQXBQCOFL-QWHCGFSZSA-N 2 0 226.364 1.487 10 0 BDAERP CC[C@@]1(C)CCOC2(CC[NH+](C)CC2)[NH2+]1 ZINC000757142539 582523121 /nfs/dbraw/zinc/52/31/21/582523121.db2.gz DCVZMMCAXBJQOQ-NSHDSACASA-N 2 0 212.337 1.587 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@H](C)C[C@@H](C)O2 ZINC000757144998 582526236 /nfs/dbraw/zinc/52/62/36/582526236.db2.gz HOTMWNWISZHZAK-GHMZBOCLSA-N 2 0 212.337 1.585 10 0 BDAERP CC(C)[C@@H]1C[NH2+][C@@]2(CCC[N@H+](C)CC2)OC1 ZINC000757145960 582528861 /nfs/dbraw/zinc/52/88/61/582528861.db2.gz JIHZPMPECKMTLY-OLZOCXBDSA-N 2 0 226.364 1.690 10 0 BDAERP CC[C@H]1CC[NH2+][C@]2(CCC[N@H+](C)CC2)O1 ZINC000757150551 582534758 /nfs/dbraw/zinc/53/47/58/582534758.db2.gz ZAFRWIZBASRQJD-NWDGAFQWSA-N 2 0 212.337 1.587 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757151267 582535439 /nfs/dbraw/zinc/53/54/39/582535439.db2.gz QFUWGHHHXQBJDE-GFCCVEGCSA-N 2 0 224.348 1.587 10 0 BDAERP CCC[C@@H]1CC[NH2+][C@@]2(CCC[N@H+](C)CC2)O1 ZINC000757153316 582537226 /nfs/dbraw/zinc/53/72/26/582537226.db2.gz UPZNATRRIKLKEM-OLZOCXBDSA-N 2 0 226.364 1.977 10 0 BDAERP CC(=O)c1ccc([C@H]2C[C@H]([NH3+])CC[NH2+]2)cc1 ZINC000757218758 582563704 /nfs/dbraw/zinc/56/37/04/582563704.db2.gz WZZXVZBOSZUXTB-CHWSQXEVSA-N 2 0 218.300 1.641 10 0 BDAERP [NH3+]Cc1cccc([C@H]2CC[C@H](C[NH3+])C[NH2+]2)c1 ZINC000757206503 586437410 /nfs/dbraw/zinc/43/74/10/586437410.db2.gz AFJZCGZKMUKAKQ-DGCLKSJQSA-N 2 0 219.332 1.145 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757207059 586437564 /nfs/dbraw/zinc/43/75/64/586437564.db2.gz AWENXXRQDMHJNW-JLUCKKNBSA-N 2 0 247.386 1.779 10 0 BDAERP COC(=O)[C@@H]1CC[NH2+][C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757210819 586438808 /nfs/dbraw/zinc/43/88/08/586438808.db2.gz HKAJSVRONFAZJX-OLZOCXBDSA-N 2 0 248.326 1.359 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757211874 586438823 /nfs/dbraw/zinc/43/88/23/586438823.db2.gz JAQBPGKSIXVFHZ-SWHYSGLUSA-N 2 0 232.327 1.887 10 0 BDAERP CC(=O)c1cccc([C@H]2C[NH2+]C[C@H](C[NH3+])C2)c1 ZINC000757212333 586439454 /nfs/dbraw/zinc/43/94/54/586439454.db2.gz IIKGPQHBOVZNIF-SMDDNHRTSA-N 2 0 232.327 1.541 10 0 BDAERP CC(=O)c1ccc([C@@H]2CC[C@H](C[NH3+])C[NH2+]2)cc1 ZINC000757213421 586439879 /nfs/dbraw/zinc/43/98/79/586439879.db2.gz KCANAPBLQMQROP-RISCZKNCSA-N 2 0 232.327 1.889 10 0 BDAERP C[C@@H]1CN[C@@H](c2cccc(C[NH3+])c2)[C@H]([NH3+])C1 ZINC000757213601 586439902 /nfs/dbraw/zinc/43/99/02/586439902.db2.gz LCZIXMTWAXAYFZ-BIMULSAOSA-N 2 0 219.332 1.143 10 0 BDAERP C[C@H]1C[NH2+]C[C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000757216675 586441039 /nfs/dbraw/zinc/44/10/39/586441039.db2.gz QMRJZLCJCQWZEH-MFKMUULPSA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2ccc(C=O)s2)[NH2+]1 ZINC000757220854 586442079 /nfs/dbraw/zinc/44/20/79/586442079.db2.gz ZRNHIUHQIQMIPC-KBVBSXBZSA-N 2 0 238.356 1.949 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757220260 586442130 /nfs/dbraw/zinc/44/21/30/586442130.db2.gz XSFWOFXXUGVTKV-ZWNOBZJWSA-N 2 0 204.317 1.858 10 0 BDAERP N[C@H]1C[NH2+]CC[C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757232741 586442986 /nfs/dbraw/zinc/44/29/86/586442986.db2.gz JIGQPUZJHSRLMD-GJZGRUSLSA-N 2 0 245.370 1.427 10 0 BDAERP C[C@H]1C[N@H+](CCCCCC[NH3+])CCS1 ZINC000123467827 589720477 /nfs/dbraw/zinc/72/04/77/589720477.db2.gz NPXLNKUGTGQOIX-NSHDSACASA-N 2 0 216.394 1.943 10 0 BDAERP C([C@H]1CCCO1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257687446 634462858 /nfs/dbraw/zinc/46/28/58/634462858.db2.gz MRRBODIFAUGABK-GFCCVEGCSA-N 2 0 224.348 1.241 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)CCC[NH2+]C1CC1 ZINC000092628050 634193775 /nfs/dbraw/zinc/19/37/75/634193775.db2.gz PLHHUIXZFSFJKO-AWEZNQCLSA-N 2 0 239.407 1.545 10 0 BDAERP OCc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000094440225 635347932 /nfs/dbraw/zinc/34/79/32/635347932.db2.gz SFYKAQVUWIQATA-CQSZACIVSA-N 2 0 247.342 1.248 10 0 BDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCCC[NH3+] ZINC000251672060 644816510 /nfs/dbraw/zinc/81/65/10/644816510.db2.gz HKRCMNHIVNFQBK-KBPBESRZSA-N 2 0 239.407 1.674 10 0 BDAERP [NH3+][C@@H]1CCCCCN(C[C@H]2CCCO2)C1 ZINC000708996338 712205341 /nfs/dbraw/zinc/20/53/41/712205341.db2.gz QLNNWDZLLODWRH-VXGBXAGGSA-N 2 0 212.337 1.369 10 0 BDAERP COCC1CC([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000713954101 712474481 /nfs/dbraw/zinc/47/44/81/712474481.db2.gz VGQSBSYJTKJFPZ-YWPUVAFDSA-N 2 0 226.364 1.532 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H](C)[C@@H](C)OC)CC1 ZINC000714754863 712497579 /nfs/dbraw/zinc/49/75/79/712497579.db2.gz YQKRXZIPCMBCOX-GHMZBOCLSA-N 2 0 214.353 1.613 10 0 BDAERP COC[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000721915327 710690774 /nfs/dbraw/zinc/69/07/74/710690774.db2.gz UHLONWPVEDHUGF-XDQVBPFNSA-N 2 0 240.391 1.574 10 0 BDAERP C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@@H]1[NH+](C)C ZINC000132538119 711966791 /nfs/dbraw/zinc/96/67/91/711966791.db2.gz CALAYVPDTUXDON-YPMHNXCESA-N 2 0 225.380 1.010 10 0 BDAERP COC1CC(C[N@H+](C)C2CC[NH2+]CC2)C1 ZINC000705894185 712139082 /nfs/dbraw/zinc/13/90/82/712139082.db2.gz PKKBAGHFYNXMFS-UHFFFAOYSA-N 2 0 212.337 1.095 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000708859010 712201055 /nfs/dbraw/zinc/20/10/55/712201055.db2.gz SVTAQJMCUAKMBO-MFKMUULPSA-N 2 0 244.342 1.590 10 0 BDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1)[NH2+]2 ZINC000709282378 712219060 /nfs/dbraw/zinc/21/90/60/712219060.db2.gz BSUKLVOXDUDDJS-WFQJECDVSA-N 2 0 238.375 1.409 10 0 BDAERP C[NH+](C)C1(C)CC[NH+](CC(C)(C)O)CC1 ZINC000709851106 712229939 /nfs/dbraw/zinc/22/99/39/712229939.db2.gz JSWQAIPVADDSCX-UHFFFAOYSA-N 2 0 214.353 1.173 10 0 BDAERP C[C@@H](O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000711883523 712338050 /nfs/dbraw/zinc/33/80/50/712338050.db2.gz CROOQXIMRJRNSD-WZRBSPASSA-N 2 0 226.364 1.207 10 0 BDAERP COCC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000713953731 712474525 /nfs/dbraw/zinc/47/45/25/712474525.db2.gz RWACTOFEIOCEDQ-GNRIBBGQSA-N 2 0 238.375 1.628 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H](C)[C@@H]2CCCO2)CC1 ZINC000714754880 712497789 /nfs/dbraw/zinc/49/77/89/712497789.db2.gz YWYVVNNOTHXWLI-RYUDHWBXSA-N 2 0 226.364 1.757 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000717613165 712662317 /nfs/dbraw/zinc/66/23/17/712662317.db2.gz ICADVLDTGLESLC-SRVKXCTJSA-N 2 0 226.364 1.389 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3ccns3)C[C@H]12 ZINC000719833998 712823800 /nfs/dbraw/zinc/82/38/00/712823800.db2.gz UPPTZLDTZFQZHU-ZMLRMANQSA-N 2 0 237.372 1.355 10 0 BDAERP CN(C[C@H]1CC[N@H+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000250820530 712834840 /nfs/dbraw/zinc/83/48/40/712834840.db2.gz ZKNMXJOIOLOPBS-UONOGXRCSA-N 2 0 239.407 1.260 10 0 BDAERP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc(C)c1O ZINC000050245165 178003231 /nfs/dbraw/zinc/00/32/31/178003231.db2.gz PNZUWZZVIDITOB-GFCCVEGCSA-N 2 0 234.343 1.790 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000386453389 398210068 /nfs/dbraw/zinc/21/00/68/398210068.db2.gz OGFQMCBGIYHZJR-QNWHQSFQSA-N 2 0 226.364 1.410 10 0 BDAERP C[C@@H]([NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000022169195 538936481 /nfs/dbraw/zinc/93/64/81/538936481.db2.gz DESQUQJVIHLQJU-SNVBAGLBSA-N 2 0 208.305 1.647 10 0 BDAERP CCC(CC)[N@H+](CCO)C[C@H]1CCC[C@@H]1[NH2+]C ZINC000053877024 168374306 /nfs/dbraw/zinc/37/43/06/168374306.db2.gz JGRMSXBVLCDJCO-OCCSQVGLSA-N 2 0 242.407 1.857 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378756793 346824929 /nfs/dbraw/zinc/82/49/29/346824929.db2.gz YMSOLVLADSQKEY-YVECIDJPSA-N 2 0 224.348 1.380 10 0 BDAERP CC[C@H](COC)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309041044 529392410 /nfs/dbraw/zinc/39/24/10/529392410.db2.gz JYJBJWVKSJRIIF-IJLUTSLNSA-N 2 0 214.353 1.328 10 0 BDAERP CC[N@@H+]1CCC[C@@]2(CC1)[NH2+][C@@H](C)CS2 ZINC000226585181 342842452 /nfs/dbraw/zinc/84/24/52/342842452.db2.gz TTYJMZSNWLOZHQ-WDEREUQCSA-N 2 0 214.378 1.913 10 0 BDAERP [NH3+][C@H]1CCC[C@H]1[N@@H+]1CCCSCC1 ZINC000042444476 362000238 /nfs/dbraw/zinc/00/02/38/362000238.db2.gz ZNISZUCQEKNHOK-VHSXEESVSA-N 2 0 200.351 1.305 10 0 BDAERP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000580314433 346896899 /nfs/dbraw/zinc/89/68/99/346896899.db2.gz SCJNZEZNCQFKRV-OFTGVCEQSA-N 2 0 208.349 1.763 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000235532614 343048015 /nfs/dbraw/zinc/04/80/15/343048015.db2.gz DJZAFYHVWXYSLD-NWDGAFQWSA-N 2 0 226.364 1.391 10 0 BDAERP [NH3+]CC[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000215160864 343077540 /nfs/dbraw/zinc/07/75/40/343077540.db2.gz YENSJAMMGAGXML-CQSZACIVSA-N 2 0 234.343 1.362 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093214406 343151069 /nfs/dbraw/zinc/15/10/69/343151069.db2.gz PSQJLECAXLHYHP-MELADBBJSA-N 2 0 241.423 1.822 10 0 BDAERP Cc1ccccc1OC[C@@H](CC[NH3+])[NH+](C)C ZINC000020401459 187253925 /nfs/dbraw/zinc/25/39/25/187253925.db2.gz LDYXUCXCUHTSDN-GFCCVEGCSA-N 2 0 222.332 1.653 10 0 BDAERP CC(C)N(CCC[NH+]1CCCC1)CCC(N)=[NH2+] ZINC000042529805 187265927 /nfs/dbraw/zinc/26/59/27/187265927.db2.gz RYWOSXPGSIUOPK-UHFFFAOYSA-N 2 0 240.395 1.509 10 0 BDAERP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220677 187270474 /nfs/dbraw/zinc/27/04/74/187270474.db2.gz XLXBEPJPJLMQRN-RYUDHWBXSA-N 2 0 243.395 1.062 10 0 BDAERP CN([C@@H](C[NH3+])C1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000053206121 187271201 /nfs/dbraw/zinc/27/12/01/187271201.db2.gz DABJXFDEKCZSLM-KGLIPLIRSA-N 2 0 239.407 1.530 10 0 BDAERP CC(C)C[C@@H](C)[N@H+](C)CCNCCC[NH+](C)C ZINC000053443008 187271970 /nfs/dbraw/zinc/27/19/70/187271970.db2.gz RARGVLDVBPZVCS-CQSZACIVSA-N 2 0 243.439 1.894 10 0 BDAERP CN(C)c1cc[nH+]cc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000054240947 187272590 /nfs/dbraw/zinc/27/25/90/187272590.db2.gz RCSZHTLNPOFPTQ-LBPRGKRZSA-N 2 0 248.374 1.901 10 0 BDAERP NC(=[NH2+])N1CC[NH+](C2CCCCCC2)CC1 ZINC000409427528 343801130 /nfs/dbraw/zinc/80/11/30/343801130.db2.gz KRGOIKRTKQFPNW-UHFFFAOYSA-N 2 0 224.352 1.220 10 0 BDAERP Cc1nc(C2CCC2)cc(N2CC[NH2+]CC2)n1 ZINC000409430580 343808632 /nfs/dbraw/zinc/80/86/32/343808632.db2.gz MNXPQLBMCUTRRY-UHFFFAOYSA-N 2 0 232.331 1.462 10 0 BDAERP CC1(C)CSC[C@@H]([N@@H+]2CC[C@@H](N)C2)C1 ZINC000227554061 344505780 /nfs/dbraw/zinc/50/57/80/344505780.db2.gz BKTVDYPFNTXTPI-ZJUUUORDSA-N 2 0 214.378 1.551 10 0 BDAERP CC(C)(C)Oc1ccc([C@@H](N)C[NH3+])cc1 ZINC000044472636 187293080 /nfs/dbraw/zinc/29/30/80/187293080.db2.gz NQQYIZSQLZTLCV-NSHDSACASA-N 2 0 208.305 1.822 10 0 BDAERP CS[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000235107305 344790442 /nfs/dbraw/zinc/79/04/42/344790442.db2.gz JETIVIALQULFCH-QWRGUYRKSA-N 2 0 214.378 1.612 10 0 BDAERP CS[C@@H]1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC000235122146 344804500 /nfs/dbraw/zinc/80/45/00/344804500.db2.gz JJXOLPIIIFZVER-WDEREUQCSA-N 2 0 214.378 1.694 10 0 BDAERP Cc1ccccc1[C@@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000111238969 187293771 /nfs/dbraw/zinc/29/37/71/187293771.db2.gz OJPXRUMLEFBNMK-OAHLLOKOSA-N 2 0 249.402 1.878 10 0 BDAERP C[C@@H]1SCC[C@H]1N1CCC[C@@H]([NH3+])C1 ZINC000235368039 344895030 /nfs/dbraw/zinc/89/50/30/344895030.db2.gz NQUUWWUYQZIXLO-IVZWLZJFSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H](c1ccco1)N(C)C[C@H]1CC[NH2+]C1 ZINC000248081809 345035704 /nfs/dbraw/zinc/03/57/04/345035704.db2.gz QETGLPQNBRJOOA-MNOVXSKESA-N 2 0 208.305 1.882 10 0 BDAERP Cc1c(CN2CCCCC[C@H]([NH3+])C2)cnn1C ZINC000634997780 345195298 /nfs/dbraw/zinc/19/52/98/345195298.db2.gz SJHIAOYPHNUAIL-ZDUSSCGKSA-N 2 0 236.363 1.432 10 0 BDAERP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000634999595 345200482 /nfs/dbraw/zinc/20/04/82/345200482.db2.gz WUOATAXGOYUMJZ-KOLCDFICSA-N 2 0 235.331 1.122 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CSCCS1 ZINC000229587886 187301851 /nfs/dbraw/zinc/30/18/51/187301851.db2.gz WJSWIJDGYVXLKH-SNVBAGLBSA-N 2 0 232.418 1.177 10 0 BDAERP CNc1ccc([C@@H]2CN(CC[NH3+])CCCO2)cc1 ZINC000616678014 345326311 /nfs/dbraw/zinc/32/63/11/345326311.db2.gz CBEAHCSOBDOLHK-AWEZNQCLSA-N 2 0 249.358 1.450 10 0 BDAERP C[NH+](C)CCOc1ccc(C(C)(C)[NH3+])cc1 ZINC000137793053 345849881 /nfs/dbraw/zinc/84/98/81/345849881.db2.gz YJUHWFSGQGLGMC-UHFFFAOYSA-N 2 0 222.332 1.821 10 0 BDAERP C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000095068280 346013145 /nfs/dbraw/zinc/01/31/45/346013145.db2.gz CAIDLIRCOKEFOF-WDEREUQCSA-N 2 0 207.321 1.746 10 0 BDAERP CC[N@H+](CC(C)C)C[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378612 537968100 /nfs/dbraw/zinc/96/81/00/537968100.db2.gz JFHFPWIHLQGPPO-CHWSQXEVSA-N 2 0 227.396 1.149 10 0 BDAERP C[C@H]([NH3+])C[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000251599624 362889591 /nfs/dbraw/zinc/88/95/91/362889591.db2.gz GCWLIGABENQVFP-NAKRPEOUSA-N 2 0 200.326 1.221 10 0 BDAERP CS[C@@H]1CCC[N@@H+](C2CC([NH3+])C2)CC1 ZINC000300840379 362909230 /nfs/dbraw/zinc/90/92/30/362909230.db2.gz MBNKVWWNDDWSQQ-VQXHTEKXSA-N 2 0 214.378 1.694 10 0 BDAERP Cc1c[nH+]ccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310588222 179705337 /nfs/dbraw/zinc/70/53/37/179705337.db2.gz XBZVKSKFPJHDSO-BETUJISGSA-N 2 0 231.343 1.826 10 0 BDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000222112597 350091810 /nfs/dbraw/zinc/09/18/10/350091810.db2.gz LOMGLRAUQAZDOU-LMLFDSFASA-N 2 0 214.378 1.692 10 0 BDAERP Cc1nccn1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049331258 180248305 /nfs/dbraw/zinc/24/83/05/180248305.db2.gz IDEICVOBUOGUTI-PBWFPOADSA-N 2 0 248.374 1.406 10 0 BDAERP [NH3+]Cc1ccc(C2=CC[C@]3(C[C@@H]3[NH3+])CC2)nc1F ZINC000725265257 538091292 /nfs/dbraw/zinc/09/12/92/538091292.db2.gz VAQISBMZIHBVAI-GXTWGEPZSA-N 2 0 247.317 1.964 10 0 BDAERP O[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C[C@@H]1CC1CC1 ZINC000409435752 350479032 /nfs/dbraw/zinc/47/90/32/350479032.db2.gz WJVHUMGURGNWTL-JSGCOSHPSA-N 2 0 238.375 1.221 10 0 BDAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCSC[C@H]1C ZINC000252858748 350916422 /nfs/dbraw/zinc/91/64/22/350916422.db2.gz MCGVFZNMQLJIIE-AEJSXWLSSA-N 2 0 202.367 1.407 10 0 BDAERP C[N@H+](C1CC([NH3+])C1)[C@H]1CCCSC1 ZINC000306744071 350932366 /nfs/dbraw/zinc/93/23/66/350932366.db2.gz HZZFRSVYWBVKKX-KYHHOPLUSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)CS1 ZINC000307233305 351699130 /nfs/dbraw/zinc/69/91/30/351699130.db2.gz CMQUMJYZNZVGPF-PSASIEDQSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@H]1CSC(NCC2([NH+](C)C)CC2)=[NH+]1 ZINC000307298434 351912842 /nfs/dbraw/zinc/91/28/42/351912842.db2.gz AGOLURSWPMHNOV-QMMMGPOBSA-N 2 0 213.350 1.162 10 0 BDAERP C[C@H]1SCC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000307329902 352029174 /nfs/dbraw/zinc/02/91/74/352029174.db2.gz XIKNKVPOIXBECT-ZNSHCXBVSA-N 2 0 214.378 1.468 10 0 BDAERP C[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1C[NH3+] ZINC000630076885 363173057 /nfs/dbraw/zinc/17/30/57/363173057.db2.gz LMZDGLHJIDHRME-KOLCDFICSA-N 2 0 239.750 1.762 10 0 BDAERP C[C@@H]1[C@@H](N2CC([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000307395349 352569714 /nfs/dbraw/zinc/56/97/14/352569714.db2.gz NOZBBXBXWBRWNJ-DOMZBBRYSA-N 2 0 245.370 1.292 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](C/C=C/Cl)C[C@H]12 ZINC000306979112 353048227 /nfs/dbraw/zinc/04/82/27/353048227.db2.gz ORMROXDLRJQRDM-GSVQNVSVSA-N 2 0 200.713 1.408 10 0 BDAERP Cc1cc(NC[C@H]2CCCC[NH2+]2)c(C#N)cn1 ZINC000399031290 353715673 /nfs/dbraw/zinc/71/56/73/353715673.db2.gz JPHJEFGDMCGUHX-GFCCVEGCSA-N 2 0 230.315 1.238 10 0 BDAERP COC(C)(C)[C@H](C)[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000301039091 363358808 /nfs/dbraw/zinc/35/88/08/363358808.db2.gz YLUAWSJQJYKHQJ-LPEHRKFASA-N 2 0 200.326 1.079 10 0 BDAERP C[C@@H]1COC[C@H](C)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420296788 192205019 /nfs/dbraw/zinc/20/50/19/192205019.db2.gz DWUOIMBEPWCZML-TUAOUCFPSA-N 2 0 212.337 1.095 10 0 BDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H](O)C(C)(C)C ZINC000324568478 356400653 /nfs/dbraw/zinc/40/06/53/356400653.db2.gz VYXBVVQWWPFWRQ-WOPDTQHZSA-N 2 0 228.380 1.514 10 0 BDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H](O)C(C)(C)C ZINC000324568477 356400767 /nfs/dbraw/zinc/40/07/67/356400767.db2.gz VYXBVVQWWPFWRQ-UTUOFQBUSA-N 2 0 228.380 1.514 10 0 BDAERP CCN1CC[NH+](C2CC3(C2)CC[NH2+]CC3)CC1 ZINC000675069427 538498142 /nfs/dbraw/zinc/49/81/42/538498142.db2.gz HBUSHENFRVVXSX-UHFFFAOYSA-N 2 0 237.391 1.156 10 0 BDAERP CC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675078865 538517921 /nfs/dbraw/zinc/51/79/21/538517921.db2.gz AMFCQJMHQLNKPP-DCAQKATOSA-N 2 0 212.337 1.271 10 0 BDAERP CC1(C)CC2(CC(C)(C)[NH2+]1)OCC[C@@H]2[NH3+] ZINC000675080307 538519681 /nfs/dbraw/zinc/51/96/81/538519681.db2.gz NXWIKIRENUURBA-VIFPVBQESA-N 2 0 212.337 1.413 10 0 BDAERP COCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000656200486 538784915 /nfs/dbraw/zinc/78/49/15/538784915.db2.gz NPLQQCBAPSTKOA-LLVKDONJSA-N 2 0 212.337 1.145 10 0 BDAERP CC[N@H+](CCOC)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685951382 538894631 /nfs/dbraw/zinc/89/46/31/538894631.db2.gz RUUJPZCBIHAEGL-GDNZZTSVSA-N 2 0 214.353 1.199 10 0 BDAERP [NH3+]C1CC[NH+]([C@@H]2CCCC[C@H]2F)CC1 ZINC000584636440 358321151 /nfs/dbraw/zinc/32/11/51/358321151.db2.gz HKYCSSLAOJZWDS-GHMZBOCLSA-N 2 0 200.301 1.690 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000306165667 358974057 /nfs/dbraw/zinc/97/40/57/358974057.db2.gz VYGIQYDACBBYBB-OPRDCNLKSA-N 2 0 200.351 1.080 10 0 BDAERP CC(C)C[C@@H](CN(C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000094085904 360295835 /nfs/dbraw/zinc/29/58/35/360295835.db2.gz ZXAINMHJGDTPSN-RUXDESIVSA-N 2 0 241.423 1.822 10 0 BDAERP CC1(C)CS[C@@](C)([C@@H]2CCC[NH2+]2)N1 ZINC000306573341 360462612 /nfs/dbraw/zinc/46/26/12/360462612.db2.gz HLBQQDCZNJRHRJ-WPRPVWTQSA-N 2 0 200.351 1.570 10 0 BDAERP CC[C@](C)(C[NH3+])[N@@H+]1CCCOC[C@@H]1C ZINC000306592494 360511501 /nfs/dbraw/zinc/51/15/01/360511501.db2.gz WLXDSLSAWDIWRT-WDEREUQCSA-N 2 0 200.326 1.225 10 0 BDAERP C[C@@H](C(N)=[NH2+])N1CCSCC[C@@H]1C ZINC000306626347 361292293 /nfs/dbraw/zinc/29/22/93/361292293.db2.gz HPWFSEJBHNMVFZ-YUMQZZPRSA-N 2 0 201.339 1.138 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000629545224 361425481 /nfs/dbraw/zinc/42/54/81/361425481.db2.gz COBQPDKEVLJWNU-DOERSZECSA-N 2 0 238.375 1.532 10 0 BDAERP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629653027 361551610 /nfs/dbraw/zinc/55/16/10/361551610.db2.gz FQNOOLWJCDRZHV-XQQFMLRXSA-N 2 0 240.416 1.956 10 0 BDAERP CCCCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630355355 364077375 /nfs/dbraw/zinc/07/73/75/364077375.db2.gz GWZTWIUZAFNFIZ-VXGBXAGGSA-N 2 0 214.353 1.615 10 0 BDAERP CO[C@H]1C[N@H+](CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630354789 364077982 /nfs/dbraw/zinc/07/79/82/364077982.db2.gz AZIWGHNNKQPZAK-GHMZBOCLSA-N 2 0 200.326 1.081 10 0 BDAERP CO[C@H]1CN(Cc2ccccc2C)[C@@](C)(C[NH3+])C1 ZINC000630359598 364078747 /nfs/dbraw/zinc/07/87/47/364078747.db2.gz GMVZVCJFJIAZOR-HUUCEWRRSA-N 2 0 248.370 1.933 10 0 BDAERP CO[C@H]1CN(CCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630359722 364079478 /nfs/dbraw/zinc/07/94/78/364079478.db2.gz HCMXUQLGJBSXJY-CABCVRRESA-N 2 0 248.370 1.667 10 0 BDAERP CO[C@H]1CN(Cc2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630359660 364079767 /nfs/dbraw/zinc/07/97/67/364079767.db2.gz DHYBNUQUHXBHBD-CHWSQXEVSA-N 2 0 235.331 1.020 10 0 BDAERP CO[C@@H]1CN(Cc2ccccc2C)[C@](C)(C[NH3+])C1 ZINC000630359597 364079924 /nfs/dbraw/zinc/07/99/24/364079924.db2.gz GMVZVCJFJIAZOR-GJZGRUSLSA-N 2 0 248.370 1.933 10 0 BDAERP C[C@H](C[NH+](C)C)NC1=[NH+]C[C@H](C)CS1 ZINC000130678150 364025910 /nfs/dbraw/zinc/02/59/10/364025910.db2.gz NQZZWCXAQMYTNE-DTWKUNHWSA-N 2 0 215.366 1.265 10 0 BDAERP [NH3+]CCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037712740 364545003 /nfs/dbraw/zinc/54/50/03/364545003.db2.gz XZFZZKSQVNTABY-CQSZACIVSA-N 2 0 233.359 1.199 10 0 BDAERP COCC[N@@H+]1CCN(c2cc[nH+]cc2C)C[C@H]1C ZINC000191980651 365001164 /nfs/dbraw/zinc/00/11/64/365001164.db2.gz JTJPBWYCIRLBSA-CYBMUJFWSA-N 2 0 249.358 1.547 10 0 BDAERP [NH3+]CCC[NH2+]Cc1ccccc1N1CCCC1 ZINC000037713722 181383335 /nfs/dbraw/zinc/38/33/35/181383335.db2.gz QDMARRKBXWVONH-UHFFFAOYSA-N 2 0 233.359 1.725 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000581185027 367285423 /nfs/dbraw/zinc/28/54/23/367285423.db2.gz DETHAZOXOVDSLD-DHGKCCLASA-N 2 0 240.391 1.778 10 0 BDAERP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000380758788 367299686 /nfs/dbraw/zinc/29/96/86/367299686.db2.gz VRFWMHBJEQRHDB-QWHCGFSZSA-N 2 0 227.396 1.447 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000581608617 367631993 /nfs/dbraw/zinc/63/19/93/367631993.db2.gz ZOCNNVWHFMUDEG-KXNHARMFSA-N 2 0 212.337 1.142 10 0 BDAERP OC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000386305907 367948020 /nfs/dbraw/zinc/94/80/20/367948020.db2.gz WEDPFBQXMCQLEB-KBPBESRZSA-N 2 0 240.391 1.659 10 0 BDAERP C[C@H]([NH3+])CC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000253068888 368443668 /nfs/dbraw/zinc/44/36/68/368443668.db2.gz LEAFAGPQWYQDML-LPEHRKFASA-N 2 0 202.367 1.550 10 0 BDAERP COc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631836489 369078944 /nfs/dbraw/zinc/07/89/44/369078944.db2.gz ACHFLRCQCBYAOG-PWSUYJOCSA-N 2 0 235.331 1.117 10 0 BDAERP [NH3+]C[C@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000041166465 181444270 /nfs/dbraw/zinc/44/42/70/181444270.db2.gz VPBAVFTYCRPABQ-AWEZNQCLSA-N 2 0 234.343 1.451 10 0 BDAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000621775230 370523034 /nfs/dbraw/zinc/52/30/34/370523034.db2.gz IZJQEYCUWBYNPA-MJBXVCDLSA-N 2 0 231.343 1.559 10 0 BDAERP COCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000568974418 326384166 /nfs/dbraw/zinc/38/41/66/326384166.db2.gz QOPUXISGBUCZHX-CHWSQXEVSA-N 2 0 240.391 1.781 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC000100267993 181590965 /nfs/dbraw/zinc/59/09/65/181590965.db2.gz YSTXFIPCYHRKNP-DTORHVGOSA-N 2 0 211.334 1.503 10 0 BDAERP C[NH2+][C@@H]1CCC2(C[C@@H]1N(C)C(C)C)OCCO2 ZINC000216448341 371755494 /nfs/dbraw/zinc/75/54/94/371755494.db2.gz VKXCWSQVFJYYCR-NEPJUHHUSA-N 2 0 242.363 1.210 10 0 BDAERP C[C@@H](C[N@@H+]1CCS[C@@H](C)C1)C1C[NH2+]C1 ZINC000227165742 371793417 /nfs/dbraw/zinc/79/34/17/371793417.db2.gz LMVBMUFPZSXZRZ-UWVGGRQHSA-N 2 0 214.378 1.279 10 0 BDAERP C[C@@H]1CCSC(NCC[NH+](C)C)=[NH+]1 ZINC000133409783 372042078 /nfs/dbraw/zinc/04/20/78/372042078.db2.gz ILOFHKIFCHJXMS-MRVPVSSYSA-N 2 0 201.339 1.019 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(N)=[NH2+] ZINC000306876901 372075175 /nfs/dbraw/zinc/07/51/75/372075175.db2.gz CBMGVEHJPYJJIR-AAEUAGOBSA-N 2 0 246.358 1.380 10 0 BDAERP CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049221277 169007402 /nfs/dbraw/zinc/00/74/02/169007402.db2.gz DQCUHDNLIKWSDJ-RYUDHWBXSA-N 2 0 243.395 1.206 10 0 BDAERP OC[C@H](c1cccs1)N1CCC[NH2+]CC1 ZINC000041673137 183145149 /nfs/dbraw/zinc/14/51/49/183145149.db2.gz WCWLHFZLGPKZJE-SNVBAGLBSA-N 2 0 226.345 1.077 10 0 BDAERP CCC[NH+](CCC)C[C@@H]1CCCCN1CC[NH3+] ZINC000034543035 169148790 /nfs/dbraw/zinc/14/87/90/169148790.db2.gz DBMBSNBKOZMJLV-AWEZNQCLSA-N 2 0 241.423 1.922 10 0 BDAERP CCC[NH+]1CCC(C[NH3+])(N2CCCCC2)CC1 ZINC000019502358 169187443 /nfs/dbraw/zinc/18/74/43/169187443.db2.gz DYRRGVHMFNORDQ-UHFFFAOYSA-N 2 0 239.407 1.676 10 0 BDAERP CCC[NH+]1CCC(NC2=[NH+]C[C@H](C)S2)CC1 ZINC000049559145 169188931 /nfs/dbraw/zinc/18/89/31/169188931.db2.gz WZPTULMALMMAHN-JTQLQIEISA-N 2 0 241.404 1.942 10 0 BDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCN(C)C)CC1 ZINC000037208400 169191559 /nfs/dbraw/zinc/19/15/59/169191559.db2.gz LFXRQLOPCAQCTG-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH+]1CCN([C@@H](CC)C[NH2+]C2CC2)CC1 ZINC000052421773 169202296 /nfs/dbraw/zinc/20/22/96/169202296.db2.gz UYFZPRPZVMKANY-AWEZNQCLSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCN(CC[C@@H]2CCC[NH2+]2)CC1 ZINC000042171894 169202903 /nfs/dbraw/zinc/20/29/03/169202903.db2.gz JWAZSWIQTQGVMJ-ZDUSSCGKSA-N 2 0 225.380 1.156 10 0 BDAERP c1cc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000037904656 183338699 /nfs/dbraw/zinc/33/86/99/183338699.db2.gz PGWHVAUJPYLEEI-AWEZNQCLSA-N 2 0 245.370 1.698 10 0 BDAERP CCC[N@@H+]1CCc2nc(C[C@@H](C)[NH3+])sc2C1 ZINC000054160947 169208844 /nfs/dbraw/zinc/20/88/44/169208844.db2.gz XRXUXRUEKUMQTG-SECBINFHSA-N 2 0 239.388 1.801 10 0 BDAERP CCC[NH2+]C1CCN(CC[NH+](CC)CC)CC1 ZINC000037537126 169255831 /nfs/dbraw/zinc/25/58/31/169255831.db2.gz NPJOJDYHPPXVDN-UHFFFAOYSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]CCc1csc(CC[NH+](C)C)n1 ZINC000076812020 169261039 /nfs/dbraw/zinc/26/10/39/169261039.db2.gz SNBDDXORVUVOQG-UHFFFAOYSA-N 2 0 241.404 1.789 10 0 BDAERP CCC[NH2+]CC[C@H](C)N1CC[N@H+](C)[C@H](CC)C1 ZINC000104126327 169261694 /nfs/dbraw/zinc/26/16/94/169261694.db2.gz OCFZTPMOBIBVQD-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@H](C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191999 169264013 /nfs/dbraw/zinc/26/40/13/169264013.db2.gz LTDGBCBASPJCNJ-UONOGXRCSA-N 2 0 241.423 1.506 10 0 BDAERP CCC[NH2+][C@@H]1CCN(CCC[NH+](C)C)[C@H](C)C1 ZINC000049710847 169282509 /nfs/dbraw/zinc/28/25/09/169282509.db2.gz GSSSLCXXJMWANN-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000053875915 169290912 /nfs/dbraw/zinc/29/09/12/169290912.db2.gz FUNVITOQECLYRL-MCIONIFRSA-N 2 0 240.391 1.611 10 0 BDAERP CC[C@@H]1CN(CC2(C[NH3+])CCCC2)CC[N@@H+]1C ZINC000104134987 171077217 /nfs/dbraw/zinc/07/72/17/171077217.db2.gz DNYQKKZODPDQRT-CYBMUJFWSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@@H]([NH3+])[C@H](c1ccsc1)n1ccnc1 ZINC000043124109 384495272 /nfs/dbraw/zinc/49/52/72/384495272.db2.gz QGTOEWALWLJAQS-PSASIEDQSA-N 2 0 207.302 1.881 10 0 BDAERP COc1c(Cl)cc(C[NH3+])cc1CC[NH3+] ZINC000575602116 385263460 /nfs/dbraw/zinc/26/34/60/385263460.db2.gz KOJBGOJAQOVLGO-UHFFFAOYSA-N 2 0 214.696 1.309 10 0 BDAERP C([C@H]1CCCSC1)[N@@H+]1CCC[NH2+]CC1 ZINC000258148517 385545187 /nfs/dbraw/zinc/54/51/87/385545187.db2.gz NCODKDSCCYBXHK-LLVKDONJSA-N 2 0 214.378 1.425 10 0 BDAERP C[C@@H]([C@@H]1CC[NH2+]C1)[NH+]1CCSCC1 ZINC000306760390 385713612 /nfs/dbraw/zinc/71/36/12/385713612.db2.gz AFTJMFIOVCYJIS-VHSXEESVSA-N 2 0 200.351 1.033 10 0 BDAERP CC(C)CCC[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336727018 385950623 /nfs/dbraw/zinc/95/06/23/385950623.db2.gz VTWVBDCIYYFMIX-AWEZNQCLSA-N 2 0 242.407 1.859 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000519693566 386528577 /nfs/dbraw/zinc/52/85/77/386528577.db2.gz QUFFYZURDRWWOJ-RWMBFGLXSA-N 2 0 226.364 1.533 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647971251 386509888 /nfs/dbraw/zinc/50/98/88/386509888.db2.gz ZZPQGPAXYNTFFL-HZSPNIEDSA-N 2 0 240.391 1.421 10 0 BDAERP CC[N@H+](CCN[C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000519698306 386533787 /nfs/dbraw/zinc/53/37/87/386533787.db2.gz IKQOQUDQGYUGMU-OLZOCXBDSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccncc1 ZINC000396590361 386781384 /nfs/dbraw/zinc/78/13/84/386781384.db2.gz STTRIUWPSRRYKH-DMDPSCGWSA-N 2 0 219.332 1.873 10 0 BDAERP c1cnc2ccc(C[NH2+]C[C@@H]3CC[NH2+]C3)cc2c1 ZINC000398363502 386815202 /nfs/dbraw/zinc/81/52/02/386815202.db2.gz KGELQWSGLGTFOY-CYBMUJFWSA-N 2 0 241.338 1.934 10 0 BDAERP [NH3+][C@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000575465920 387062401 /nfs/dbraw/zinc/06/24/01/387062401.db2.gz HKEARYDKAMHDSV-CQSZACIVSA-N 2 0 246.354 1.769 10 0 BDAERP COC(=O)c1ccc([C@@H]([NH3+])CCC[NH3+])cc1 ZINC000575437863 387110802 /nfs/dbraw/zinc/11/08/02/387110802.db2.gz BQWJYYXHOQSDFQ-NSHDSACASA-N 2 0 222.288 1.212 10 0 BDAERP COc1c(F)cccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575439466 387122948 /nfs/dbraw/zinc/12/29/48/387122948.db2.gz MVJCALSTIIQSNQ-LLVKDONJSA-N 2 0 226.295 1.963 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)cccc1F ZINC000575439385 387124604 /nfs/dbraw/zinc/12/46/04/387124604.db2.gz ICFUPPBNCUFDHM-SECBINFHSA-N 2 0 200.232 1.704 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1ccc(F)c(F)c1F ZINC000575439762 387126481 /nfs/dbraw/zinc/12/64/81/387126481.db2.gz YCYNONPIAQPBJY-QMMMGPOBSA-N 2 0 218.222 1.843 10 0 BDAERP COc1cc([C@@H]([NH3+])CCCC[NH3+])ccc1O ZINC000575440354 387139714 /nfs/dbraw/zinc/13/97/14/387139714.db2.gz PLXISOSTWHIYLX-JTQLQIEISA-N 2 0 224.304 1.530 10 0 BDAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC1CSC1 ZINC000575487122 387256771 /nfs/dbraw/zinc/25/67/71/387256771.db2.gz KZISQSMGLYVLNU-WCBMZHEXSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CC[NH2+]C1 ZINC000400437793 387302984 /nfs/dbraw/zinc/30/29/84/387302984.db2.gz NDZLHTQFZCBUQJ-PWSUYJOCSA-N 2 0 224.373 1.878 10 0 BDAERP CSCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400446245 387345285 /nfs/dbraw/zinc/34/52/85/387345285.db2.gz POZRCNJARQLBKX-UWVGGRQHSA-N 2 0 202.367 1.327 10 0 BDAERP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000396923422 387515870 /nfs/dbraw/zinc/51/58/70/387515870.db2.gz POKPFQBOBZAMTQ-JGVFFNPUSA-N 2 0 210.243 1.526 10 0 BDAERP C[C@@H](NCC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643456760 387691909 /nfs/dbraw/zinc/69/19/09/387691909.db2.gz WWRGXHUBBQVPMT-OLZOCXBDSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000422796158 387697047 /nfs/dbraw/zinc/69/70/47/387697047.db2.gz XLMVFAUOMCRWNY-WFASDCNBSA-N 2 0 247.386 1.487 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000643457190 387807985 /nfs/dbraw/zinc/80/79/85/387807985.db2.gz CRTQLJLTMJINCY-XUXIUFHCSA-N 2 0 240.391 1.515 10 0 BDAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)C ZINC000151311049 387815142 /nfs/dbraw/zinc/81/51/42/387815142.db2.gz NCCBSHUSJOYDCO-KGLIPLIRSA-N 2 0 242.407 1.857 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C12CCC2 ZINC000423172068 387958741 /nfs/dbraw/zinc/95/87/41/387958741.db2.gz RDSKBWCRGKSWQF-ZDEQEGDKSA-N 2 0 238.375 1.532 10 0 BDAERP CC[NH+](CC)CCC[C@H](C)N[C@H]1CC[NH2+]C1 ZINC000086724716 388107870 /nfs/dbraw/zinc/10/78/70/388107870.db2.gz SLKNLMABKPWFTA-STQMWFEESA-N 2 0 227.396 1.448 10 0 BDAERP C[C@@H]1CC[C@@H](C[N@H+](C)[C@H]2CCC[NH2+]CC2)O1 ZINC000300232651 388356227 /nfs/dbraw/zinc/35/62/27/388356227.db2.gz HOHHSTDJVKTSCG-AGIUHOORSA-N 2 0 226.364 1.628 10 0 BDAERP C[C@]1(C(=[NH2+])NO)CC[N@H+](Cc2ccccc2)C1 ZINC000575521193 388356905 /nfs/dbraw/zinc/35/69/05/388356905.db2.gz PQPVYYDZECLIQC-ZDUSSCGKSA-N 2 0 233.315 1.855 10 0 BDAERP Cc1cccnc1CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000404961077 388447733 /nfs/dbraw/zinc/44/77/33/388447733.db2.gz VJINBZNOCLJREW-QWHCGFSZSA-N 2 0 233.359 1.520 10 0 BDAERP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517918246 388597822 /nfs/dbraw/zinc/59/78/22/388597822.db2.gz ADYZANLHZWPYLT-BFHYXJOUSA-N 2 0 241.423 1.694 10 0 BDAERP CC(C)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000245708389 388600980 /nfs/dbraw/zinc/60/09/80/388600980.db2.gz YSTANZRNDZXVRM-TZMCWYRMSA-N 2 0 238.375 1.651 10 0 BDAERP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000530224984 388633871 /nfs/dbraw/zinc/63/38/71/388633871.db2.gz NLWALHJBXXIWFU-UXCLJVHYSA-N 2 0 212.337 1.140 10 0 BDAERP CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566089449 388986606 /nfs/dbraw/zinc/98/66/06/388986606.db2.gz WYAWUVZXKGHEOI-MCIONIFRSA-N 2 0 239.407 1.306 10 0 BDAERP [NH3+]CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000053705703 132363330 /nfs/dbraw/zinc/36/33/30/132363330.db2.gz UMDLIABIZYDUHP-UHFFFAOYSA-N 2 0 205.305 1.647 10 0 BDAERP COc1cccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400808586 533516096 /nfs/dbraw/zinc/51/60/96/533516096.db2.gz XEPBZJFCGCUFSH-YPMHNXCESA-N 2 0 234.343 1.783 10 0 BDAERP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000274402540 132202876 /nfs/dbraw/zinc/20/28/76/132202876.db2.gz YCBYBKLOUDAXIU-STQMWFEESA-N 2 0 249.358 1.281 10 0 BDAERP Cc1cccc(N2CC[NH+](C[C@H](C)C[NH3+])CC2)c1 ZINC000011737181 132320517 /nfs/dbraw/zinc/32/05/17/132320517.db2.gz MDNNUVJEHUHSFS-CQSZACIVSA-N 2 0 247.386 1.712 10 0 BDAERP CC[NH+]1CCN(c2ccccc2C(N)=[NH2+])CC1 ZINC000020076137 132329670 /nfs/dbraw/zinc/32/96/70/132329670.db2.gz UIMLDFJVTZJWHB-UHFFFAOYSA-N 2 0 232.331 1.113 10 0 BDAERP C[NH2+]Cc1ccccc1N1CC[NH+](C(C)C)CC1 ZINC000036190568 132340682 /nfs/dbraw/zinc/34/06/82/132340682.db2.gz HKSYWHUNIAHKBY-UHFFFAOYSA-N 2 0 247.386 1.936 10 0 BDAERP CC[C@H](C)[NH+]1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000055066264 132365403 /nfs/dbraw/zinc/36/54/03/132365403.db2.gz BJEZOCZKPUCFSP-NSHDSACASA-N 2 0 234.347 1.584 10 0 BDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC3)CC[C@@H]21 ZINC000179586640 134322065 /nfs/dbraw/zinc/32/20/65/134322065.db2.gz DAHQLXBLVVDNQD-YPMHNXCESA-N 2 0 208.349 1.955 10 0 BDAERP CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000261536822 135172654 /nfs/dbraw/zinc/17/26/54/135172654.db2.gz TUZZSACGNHGNGW-VXGBXAGGSA-N 2 0 208.349 1.718 10 0 BDAERP CCC1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000261548558 135187361 /nfs/dbraw/zinc/18/73/61/135187361.db2.gz JQTQWTUYBXWIDR-CYBMUJFWSA-N 2 0 240.391 1.782 10 0 BDAERP CCC1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CCOCC1 ZINC000261560912 135202170 /nfs/dbraw/zinc/20/21/70/135202170.db2.gz AIGUCKKMFQCTKX-LBPRGKRZSA-N 2 0 226.364 1.474 10 0 BDAERP CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000261590927 135231398 /nfs/dbraw/zinc/23/13/98/135231398.db2.gz UVZHJOORZWTQGQ-RYUDHWBXSA-N 2 0 226.364 1.615 10 0 BDAERP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000261690487 135245950 /nfs/dbraw/zinc/24/59/50/135245950.db2.gz KSHBJUVYLVGDEF-ZDUSSCGKSA-N 3 0 239.407 1.435 10 0 BDAERP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263205604 135339040 /nfs/dbraw/zinc/33/90/40/135339040.db2.gz JQDFDNOIJXMAQX-RQJABVFESA-N 2 0 240.391 1.373 10 0 BDAERP Cc1c[nH+]ccc1N1CCC(OCCC[NH3+])CC1 ZINC000094073126 135610644 /nfs/dbraw/zinc/61/06/44/135610644.db2.gz IXOMEINQCFJWSM-UHFFFAOYSA-N 2 0 249.358 1.724 10 0 BDAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000034936164 398017522 /nfs/dbraw/zinc/01/75/22/398017522.db2.gz OAIJBTNKFXKXQR-OCCSQVGLSA-N 2 0 233.359 1.322 10 0 BDAERP CC(C)[NH2+]CC1CC[NH+](Cc2ccno2)CC1 ZINC000104429571 167099274 /nfs/dbraw/zinc/09/92/74/167099274.db2.gz KGQRFZZXTTVILX-UHFFFAOYSA-N 2 0 237.347 1.885 10 0 BDAERP CC(C)[NH2+]CCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062967730 167102295 /nfs/dbraw/zinc/10/22/95/167102295.db2.gz XLHWBERVYSETLB-AWEZNQCLSA-N 2 0 239.407 1.545 10 0 BDAERP CC(C)(C)[NH2+]Cc1cccc(OCC[NH3+])c1 ZINC000041241270 166635431 /nfs/dbraw/zinc/63/54/31/166635431.db2.gz SNLDIXGWGRLTGN-UHFFFAOYSA-N 2 0 222.332 1.912 10 0 BDAERP COC[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000665235627 410725757 /nfs/dbraw/zinc/72/57/57/410725757.db2.gz XKQNYQULJLTQNP-AVGNSLFASA-N 2 0 244.379 1.016 10 0 BDAERP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000396424345 410882871 /nfs/dbraw/zinc/88/28/71/410882871.db2.gz CAAOZUIBEUOVDB-UBHSHLNASA-N 2 0 239.407 1.434 10 0 BDAERP C[C@H]([NH3+])CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809205 410894447 /nfs/dbraw/zinc/89/44/47/410894447.db2.gz WAYNNTYYIRGAJX-WCQYABFASA-N 2 0 249.358 1.143 10 0 BDAERP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H](O)C1 ZINC000051257106 167002246 /nfs/dbraw/zinc/00/22/46/167002246.db2.gz FJSMCWRYAUXRQG-CYBMUJFWSA-N 2 0 242.407 1.715 10 0 BDAERP CC(C)[NH2+]CCNCCC[N@@H+]1CCCC[C@H]1C ZINC000049477773 167107186 /nfs/dbraw/zinc/10/71/86/167107186.db2.gz PFTLNNVNGZFFBZ-CQSZACIVSA-N 2 0 241.423 1.839 10 0 BDAERP CC(C)[NH2+]C[C@@H](C)CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053249969 167111761 /nfs/dbraw/zinc/11/17/61/167111761.db2.gz YWUUDWDHGFYYIB-ZIAGYGMSSA-N 2 0 241.423 1.647 10 0 BDAERP CC(C)[NH2+]Cc1cnc(CC[NH+](C)C)s1 ZINC000082418193 167121719 /nfs/dbraw/zinc/12/17/19/167121719.db2.gz HDWVLXXTRIJVET-UHFFFAOYSA-N 2 0 227.377 1.745 10 0 BDAERP CC(C)[C@@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000042461615 167397180 /nfs/dbraw/zinc/39/71/80/167397180.db2.gz JMNWJHQQTFWQOO-GFCCVEGCSA-N 2 0 227.396 1.386 10 0 BDAERP CC1CC[NH+](C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052377060 168182514 /nfs/dbraw/zinc/18/25/14/168182514.db2.gz JZFZCSTVYVAKES-NWDGAFQWSA-N 2 0 212.337 1.225 10 0 BDAERP Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000129739002 411387031 /nfs/dbraw/zinc/38/70/31/411387031.db2.gz ITYZLKHOOLOZND-DGCLKSJQSA-N 2 0 219.332 1.607 10 0 BDAERP CCN1CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000336654091 169967891 /nfs/dbraw/zinc/96/78/91/169967891.db2.gz JYAZMTBJFHXYCZ-QWHCGFSZSA-N 2 0 227.396 1.578 10 0 BDAERP CC[N@@H+]1CC[C@@H](CN2CCC[NH2+]CCC2)C1 ZINC000049666738 170006196 /nfs/dbraw/zinc/00/61/96/170006196.db2.gz HPAHYAHOXKAVIE-CYBMUJFWSA-N 2 0 225.380 1.014 10 0 BDAERP CC[N@@H+]1CC[C@@H](CNC2=[NH+]CCS2)C1 ZINC000037484492 170007211 /nfs/dbraw/zinc/00/72/11/170007211.db2.gz SMGFKJRSVLQKPE-VIFPVBQESA-N 2 0 213.350 1.021 10 0 BDAERP CC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)S2)C1 ZINC000037484499 170015502 /nfs/dbraw/zinc/01/55/02/170015502.db2.gz MPRXVAJHBOOTEV-VHSXEESVSA-N 2 0 227.377 1.409 10 0 BDAERP CC[N@@H+]1CC[C@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000037484497 170015668 /nfs/dbraw/zinc/01/56/68/170015668.db2.gz FSEMAHVYUVOELU-SNVBAGLBSA-N 2 0 241.404 1.799 10 0 BDAERP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000328277859 170021722 /nfs/dbraw/zinc/02/17/22/170021722.db2.gz RDAVQLVGTWHWMT-XQQFMLRXSA-N 2 0 225.380 1.153 10 0 BDAERP CCN1C[C@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000336781205 170037073 /nfs/dbraw/zinc/03/70/73/170037073.db2.gz UBWADSKARBNFQO-AAEUAGOBSA-N 2 0 221.348 1.455 10 0 BDAERP CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037757982 170092501 /nfs/dbraw/zinc/09/25/01/170092501.db2.gz OVYDHXUTDFILGO-NSHDSACASA-N 2 0 249.358 1.102 10 0 BDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCOCC1 ZINC000054628237 170109378 /nfs/dbraw/zinc/10/93/78/170109378.db2.gz ZSEHGMVLFWJMPU-QXMXGUDHSA-N 2 0 238.375 1.770 10 0 BDAERP CC[NH2+]C[C@@H]1CC[C@@H](COCCC[NH+](C)C)O1 ZINC000052672626 170120467 /nfs/dbraw/zinc/12/04/67/170120467.db2.gz GWWZWKKHJJUNLE-STQMWFEESA-N 2 0 244.379 1.112 10 0 BDAERP CC[NH2+]Cc1occc1C[N@H+](C)CCCOC ZINC000062035989 170132538 /nfs/dbraw/zinc/13/25/38/170132538.db2.gz LXMPTHKRIAMQBY-UHFFFAOYSA-N 2 0 240.347 1.857 10 0 BDAERP CC[NH2+][C@@H](C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065620 170139283 /nfs/dbraw/zinc/13/92/83/170139283.db2.gz NOGSRFOEFYNALR-QWHCGFSZSA-N 2 0 227.396 1.401 10 0 BDAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000049711409 170151925 /nfs/dbraw/zinc/15/19/25/170151925.db2.gz NMUVROYJCUSVBO-WCQYABFASA-N 2 0 226.364 1.485 10 0 BDAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+](CC)CCO ZINC000053869605 170153439 /nfs/dbraw/zinc/15/34/39/170153439.db2.gz RUKKHNHUGFUSGS-BFHYXJOUSA-N 2 0 242.407 1.715 10 0 BDAERP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCCC[C@@H]1CO ZINC000053877175 170166965 /nfs/dbraw/zinc/16/69/65/170166965.db2.gz GZJUWNKFJJDCKU-MJBXVCDLSA-N 2 0 240.391 1.611 10 0 BDAERP CCOCC[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049662719 170397366 /nfs/dbraw/zinc/39/73/66/170397366.db2.gz JJPOFXSHEHPHLC-NSHDSACASA-N 2 0 200.326 1.097 10 0 BDAERP Nc1cc([C@@H]2CCCC[N@H+](CCO)C2)ccn1 ZINC000616654044 411945935 /nfs/dbraw/zinc/94/59/35/411945935.db2.gz KHFNKHISMDFPNX-GFCCVEGCSA-N 2 0 235.331 1.226 10 0 BDAERP CC[C@@H]1CC[N@H+](C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000049662847 171012299 /nfs/dbraw/zinc/01/22/99/171012299.db2.gz MCGOEQVXXQPZDM-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP CC[C@@H]1CSC(NC2CC[NH+](C)CC2)=[NH+]1 ZINC000035295415 171114166 /nfs/dbraw/zinc/11/41/66/171114166.db2.gz KOMNZUAMYOVJSR-SECBINFHSA-N 2 0 227.377 1.552 10 0 BDAERP CC[C@@](C)(C[NH3+])[N@@H+]1CCCO[C@H](C)C1 ZINC000061916215 171166230 /nfs/dbraw/zinc/16/62/30/171166230.db2.gz SWOKRZPXMFDFNY-MNOVXSKESA-N 2 0 200.326 1.225 10 0 BDAERP CC[C@@](C)(C[NH2+]C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191476 171166383 /nfs/dbraw/zinc/16/63/83/171166383.db2.gz ZNRDXXVRSOGQDE-KGLIPLIRSA-N 2 0 241.423 1.506 10 0 BDAERP CC[C@@](C)(C[NH3+])C[N@H+](CCO)C1CCCCC1 ZINC000051254023 171167041 /nfs/dbraw/zinc/16/70/41/171167041.db2.gz LNKIQTMXADEMKG-AWEZNQCLSA-N 2 0 242.407 1.988 10 0 BDAERP CC[C@@](C)(C[NH3+])C[N@H+](CCCOC)CCOC ZINC000051253501 171167299 /nfs/dbraw/zinc/16/72/99/171167299.db2.gz JENHZNPYIMTESC-ZDUSSCGKSA-N 2 0 246.395 1.346 10 0 BDAERP CC[C@H](C)[NH+]1CCN([C@@](C)(C[NH3+])C(C)C)CC1 ZINC000055064413 171318864 /nfs/dbraw/zinc/31/88/64/171318864.db2.gz CCEROQSTMPCBHA-KBPBESRZSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@@H](C)[C@@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064295 171319185 /nfs/dbraw/zinc/31/91/85/171319185.db2.gz KRIZAIQDGLXTLP-HZSPNIEDSA-N 2 0 241.423 1.776 10 0 BDAERP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH2+]CC2)O1 ZINC000665264926 412207363 /nfs/dbraw/zinc/20/73/63/412207363.db2.gz LYFNZZHXDUIVQN-ZYHUDNBSSA-N 2 0 212.337 1.286 10 0 BDAERP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000665276127 412220028 /nfs/dbraw/zinc/22/00/28/412220028.db2.gz YWAXWVCVNILZBX-FPMFFAJLSA-N 2 0 240.391 1.779 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000310326569 487624192 /nfs/dbraw/zinc/62/41/92/487624192.db2.gz ARPKKOXWZYXYDQ-GXTWGEPZSA-N 2 0 242.407 1.856 10 0 BDAERP CN(c1ccccc1)[C@H](CC[NH3+])C[NH+](C)C ZINC000076610979 172481734 /nfs/dbraw/zinc/48/17/34/172481734.db2.gz FFSZNAOMZSMBLC-CYBMUJFWSA-N 2 0 221.348 1.402 10 0 BDAERP CN([C@@H](C[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000019406839 172990025 /nfs/dbraw/zinc/99/00/25/172990025.db2.gz BKLIAIYJGAMHGG-HNNXBMFYSA-N 2 0 247.386 1.712 10 0 BDAERP C[NH+]1CCC([C@H]([NH3+])c2ccncc2)CC1 ZINC000077299189 173000023 /nfs/dbraw/zinc/00/00/23/173000023.db2.gz DCCCTVSEIRJGJS-GFCCVEGCSA-N 2 0 205.305 1.423 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CNC1=[NH+]C(C)(C)CS1 ZINC000044563801 173004458 /nfs/dbraw/zinc/00/44/58/173004458.db2.gz LQQWRSNSWYNKJU-SNVBAGLBSA-N 2 0 241.404 1.942 10 0 BDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000020217636 173016485 /nfs/dbraw/zinc/01/64/85/173016485.db2.gz ZZARUMKIVNSOPT-NSHDSACASA-N 2 0 239.388 1.385 10 0 BDAERP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000054243908 173042368 /nfs/dbraw/zinc/04/23/68/173042368.db2.gz FNPMVPAKLJZWIF-PNESKVBLSA-N 3 0 225.380 1.188 10 0 BDAERP CN1CCC[C@H](NC2=[NH+]CCCS2)C1 ZINC000040715964 173046312 /nfs/dbraw/zinc/04/63/12/173046312.db2.gz BYUARESUNIWODL-VIFPVBQESA-N 2 0 213.350 1.163 10 0 BDAERP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCC[C@H]3O)C2)C1 ZINC000310464748 173167038 /nfs/dbraw/zinc/16/70/38/173167038.db2.gz ZAIUNIFATQGSIC-MJBXVCDLSA-N 2 0 238.375 1.318 10 0 BDAERP C[NH2+]C1CCN([C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000049568540 173324217 /nfs/dbraw/zinc/32/42/17/173324217.db2.gz UVFPKPLOQCRYBK-KGLIPLIRSA-N 2 0 237.391 1.297 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711756 173337617 /nfs/dbraw/zinc/33/76/17/173337617.db2.gz DXLJQAAYSQDJEG-GFCCVEGCSA-N 2 0 226.364 1.223 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H](O)C2)CCCC1 ZINC000051257021 173337677 /nfs/dbraw/zinc/33/76/77/173337677.db2.gz FJYBNOLJYVGVIJ-LBPRGKRZSA-N 2 0 226.364 1.223 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H](O)C2)CCCC1 ZINC000051257023 173337893 /nfs/dbraw/zinc/33/78/93/173337893.db2.gz FJYBNOLJYVGVIJ-GFCCVEGCSA-N 2 0 226.364 1.223 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCC[C@H](C)C2)CCCOC1 ZINC000104321318 173373203 /nfs/dbraw/zinc/37/32/03/173373203.db2.gz YDHYMBGQOLOLAX-UONOGXRCSA-N 2 0 240.391 1.735 10 0 BDAERP C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000034823852 173390165 /nfs/dbraw/zinc/39/01/65/173390165.db2.gz XBGJGSLHHKRHIV-UHFFFAOYSA-N 2 0 247.386 1.936 10 0 BDAERP C[NH2+]Cc1cccnc1OC1CC[NH+](C)CC1 ZINC000051522058 173391718 /nfs/dbraw/zinc/39/17/18/173391718.db2.gz AXWKDFWDLIFVPX-UHFFFAOYSA-N 2 0 235.331 1.274 10 0 BDAERP COC1CCC([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000310247994 174022324 /nfs/dbraw/zinc/02/23/24/174022324.db2.gz CYKPELCQIARGFM-BLYZHGLHSA-N 2 0 240.391 1.861 10 0 BDAERP COC1CC[NH+](C2CCC([NH3+])CC2)CC1 ZINC000055144338 174027796 /nfs/dbraw/zinc/02/77/96/174027796.db2.gz OATBHZZKXXDFDL-UHFFFAOYSA-N 2 0 212.337 1.367 10 0 BDAERP COC1CC[NH+](CC2CCC([NH3+])CC2)CC1 ZINC000037482463 174028645 /nfs/dbraw/zinc/02/86/45/174028645.db2.gz WXZPLEURTUFXGY-UHFFFAOYSA-N 2 0 226.364 1.615 10 0 BDAERP COC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@H]2C[NH3+])CC1 ZINC000037265710 174029671 /nfs/dbraw/zinc/02/96/71/174029671.db2.gz VDRYGTSWQQTUEM-SGMGOOAPSA-N 2 0 240.391 1.861 10 0 BDAERP COCCC[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049665802 174233544 /nfs/dbraw/zinc/23/35/44/174233544.db2.gz VMHPHMZKZVSGHG-TXEJJXNPSA-N 2 0 214.353 1.485 10 0 BDAERP COCC[N@H+](CC(C)(C)C[NH2+]C1CC1)C1CC1 ZINC000051253341 174287088 /nfs/dbraw/zinc/28/70/88/174287088.db2.gz OJVCHJYEJOIJHE-UHFFFAOYSA-N 2 0 240.391 1.875 10 0 BDAERP COCC[N@H+](CC(C)C)C[C@H](C)C[NH2+]C1CC1 ZINC000052508461 174287270 /nfs/dbraw/zinc/28/72/70/174287270.db2.gz LFZWXLLFDMHVLE-CYBMUJFWSA-N 2 0 242.407 1.979 10 0 BDAERP COCC[N@H+](CCCCC(N)=[NH2+])[C@@H](C)COC ZINC000042607951 174291339 /nfs/dbraw/zinc/29/13/39/174291339.db2.gz MTWNMZAQQKKBEJ-NSHDSACASA-N 2 0 245.367 1.076 10 0 BDAERP COc1ccc(C)cc1C1(C[NH3+])CC[NH2+]CC1 ZINC000071544931 175073633 /nfs/dbraw/zinc/07/36/33/175073633.db2.gz IDOJKGYCQXKIQS-UHFFFAOYSA-N 2 0 234.343 1.584 10 0 BDAERP COc1cccc(CC[NH3+])c1OCC[NH+](C)C ZINC000011961429 175252002 /nfs/dbraw/zinc/25/20/02/175252002.db2.gz RAOUIEVJFKOLSI-UHFFFAOYSA-N 2 0 238.331 1.137 10 0 BDAERP COc1ccccc1[C@H](C[NH3+])CC[NH+](C)C ZINC000041241354 175352893 /nfs/dbraw/zinc/35/28/93/175352893.db2.gz VGILBXDKZFMNQE-NSHDSACASA-N 2 0 222.332 1.689 10 0 BDAERP C[C@@H]([NH3+])c1cc(F)ccc1N(C)CC[NH+](C)C ZINC000104189907 175816308 /nfs/dbraw/zinc/81/63/08/175816308.db2.gz WCGNCAAYFLMSSD-SNVBAGLBSA-N 2 0 239.338 1.843 10 0 BDAERP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCCOCC2)C1 ZINC000061916614 176133842 /nfs/dbraw/zinc/13/38/42/176133842.db2.gz FGWJJXRXLQCEHY-CHWSQXEVSA-N 2 0 226.364 1.616 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267744 176174421 /nfs/dbraw/zinc/17/44/21/176174421.db2.gz VEZGUTKUBPSWHO-SECBINFHSA-N 2 0 235.306 1.952 10 0 BDAERP C[C@@H]1C[N@H+](CC(C)(C)C[NH3+])CCCO1 ZINC000061934201 176284826 /nfs/dbraw/zinc/28/48/26/176284826.db2.gz DVIKXKQUCOBMBK-SNVBAGLBSA-N 2 0 200.326 1.082 10 0 BDAERP C[C@@H]1C[N@H+](CC2CCC([NH3+])CC2)[C@H](C)CO1 ZINC000037482477 176286961 /nfs/dbraw/zinc/28/69/61/176286961.db2.gz YPKBZHMSRLYMHL-OKZRHMCRSA-N 2 0 226.364 1.613 10 0 BDAERP C[C@@H]1CN(CC[NH+](C)C)c2ccccc2C[NH2+]1 ZINC000062616664 176290647 /nfs/dbraw/zinc/29/06/47/176290647.db2.gz SYYWBYYOUSWTCY-GFCCVEGCSA-N 2 0 233.359 1.546 10 0 BDAERP C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[N@@H+]2C)S1 ZINC000044563806 176324778 /nfs/dbraw/zinc/32/47/78/176324778.db2.gz QBKGGEXBVYVDPG-NXEZZACHSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCc2ccco2)C1 ZINC000049667390 176329226 /nfs/dbraw/zinc/32/92/26/176329226.db2.gz YXTFDZYKZZORGC-CHWSQXEVSA-N 2 0 236.359 2.000 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C[C@@H]2CCCCO2)C1 ZINC000042824658 176329324 /nfs/dbraw/zinc/32/93/24/176329324.db2.gz UXINUUZTIJIZFB-MCIONIFRSA-N 2 0 240.391 1.733 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000324598445 487633495 /nfs/dbraw/zinc/63/34/95/487633495.db2.gz HVZGYUBUYOBFOW-GMTAPVOTSA-N 2 0 214.353 1.253 10 0 BDAERP C[C@@H](CC[NH+](C)C)N1CC[NH2+][C@@H](C)CC1 ZINC000049662589 177170198 /nfs/dbraw/zinc/17/01/98/177170198.db2.gz DJPJVXMVUQUDOD-RYUDHWBXSA-N 2 0 213.369 1.010 10 0 BDAERP C[C@H]1C[N@H+](CC2(C[NH3+])CCCC2)CCCO1 ZINC000061934216 177245022 /nfs/dbraw/zinc/24/50/22/177245022.db2.gz LRAUDRQAESVXTJ-LBPRGKRZSA-N 2 0 226.364 1.616 10 0 BDAERP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCN1C ZINC000104351613 177247446 /nfs/dbraw/zinc/24/74/46/177247446.db2.gz KLMODVVHPZWDDF-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@H]1C[N@H+](CCc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712376 177254945 /nfs/dbraw/zinc/25/49/45/177254945.db2.gz UMDAPTVHJKHRMV-AAEUAGOBSA-N 2 0 219.332 1.293 10 0 BDAERP C[C@H]1C[NH+]=C(NC[C@H]2CC[N@H+](C)C2)S1 ZINC000037485236 177282147 /nfs/dbraw/zinc/28/21/47/177282147.db2.gz XHRQKRWYRLLKGD-DTWKUNHWSA-N 2 0 213.350 1.019 10 0 BDAERP C[C@H]1C[NH2+]CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000044510691 177282557 /nfs/dbraw/zinc/28/25/57/177282557.db2.gz HITLIDVWUOEWGX-RYUDHWBXSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)CN(CCC[NH+](C)C)C1 ZINC000049666114 177285986 /nfs/dbraw/zinc/28/59/86/177285986.db2.gz TZAAJXWAVDMJRU-STQMWFEESA-N 2 0 227.396 1.116 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](Cc2cccnc2)C1 ZINC000049666593 177286051 /nfs/dbraw/zinc/28/60/51/177286051.db2.gz ADSFYHLVMSCPJI-STQMWFEESA-N 2 0 233.359 1.759 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400348315 226341358 /nfs/dbraw/zinc/34/13/58/226341358.db2.gz LIBAFTHPGLYOIN-SDDRHHMPSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH3+])CNc1cc[nH+]c2ccccc12 ZINC000082575422 487677525 /nfs/dbraw/zinc/67/75/25/487677525.db2.gz LUFJFBWSYDVVGH-VIFPVBQESA-N 2 0 201.273 1.994 10 0 BDAERP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136447301 487736262 /nfs/dbraw/zinc/73/62/62/487736262.db2.gz GJKHSKIAXZTDSI-NWDGAFQWSA-N 2 0 243.395 1.206 10 0 BDAERP CC[C@@H]1CN(c2cc[nH+]cc2C)CC[C@H]1[NH3+] ZINC000251710431 487792063 /nfs/dbraw/zinc/79/20/63/487792063.db2.gz JLTYSIHRJWOUMI-VXGBXAGGSA-N 2 0 219.332 1.954 10 0 BDAERP Cc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])cc[nH+]1 ZINC000229575546 487926509 /nfs/dbraw/zinc/92/65/09/487926509.db2.gz GQFGHJZWGCJINK-GXFFZTMASA-N 2 0 219.332 1.954 10 0 BDAERP C[C@H]([NH2+]CCOC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000569918726 323044350 /nfs/dbraw/zinc/04/43/50/323044350.db2.gz MWNGUVZRWXXNLH-IUCAKERBSA-N 2 0 240.269 1.501 10 0 BDAERP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000570035746 323047721 /nfs/dbraw/zinc/04/77/21/323047721.db2.gz PNXSTLQQCNVTLA-UONOGXRCSA-N 2 0 247.386 1.910 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000570832424 323072136 /nfs/dbraw/zinc/07/21/36/323072136.db2.gz WCNDTPWLQGLLQD-SDDRHHMPSA-N 2 0 212.337 1.143 10 0 BDAERP CCC[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)OCC ZINC000530212328 324524530 /nfs/dbraw/zinc/52/45/30/324524530.db2.gz QGRYOFIJJHLIGE-QWHCGFSZSA-N 2 0 228.380 1.923 10 0 BDAERP C[C@@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCC[NH2+]C1 ZINC000569211795 326395009 /nfs/dbraw/zinc/39/50/09/326395009.db2.gz KSKPETPYTMKKKX-CHWSQXEVSA-N 2 0 242.407 1.763 10 0 BDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000084220313 488038470 /nfs/dbraw/zinc/03/84/70/488038470.db2.gz DEOZPXZMRLMUES-SDDRHHMPSA-N 2 0 212.337 1.273 10 0 BDAERP CCN1CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142404 488080255 /nfs/dbraw/zinc/08/02/55/488080255.db2.gz HLXFLALDWIGOBT-TZMCWYRMSA-N 3 0 239.407 1.401 10 0 BDAERP CCC[N@@H+]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000389517735 488099124 /nfs/dbraw/zinc/09/91/24/488099124.db2.gz GICPTFAOQLQQNW-QWHCGFSZSA-N 2 0 225.380 1.202 10 0 BDAERP CC(C)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304507664 487508671 /nfs/dbraw/zinc/50/86/71/487508671.db2.gz DBWWZNDKKOHXQP-QWHCGFSZSA-N 2 0 225.380 1.010 10 0 BDAERP C[C@H](F)C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757124170 582499158 /nfs/dbraw/zinc/49/91/58/582499158.db2.gz BYRMXPLDMKPXLL-JTQLQIEISA-N 2 0 200.301 1.562 10 0 BDAERP [NH3+]C[C@H]1C[NH2+]C[C@H](c2ccc(C=O)s2)C1 ZINC000757213025 582560403 /nfs/dbraw/zinc/56/04/03/582560403.db2.gz KSEURASCQFOBJR-DTWKUNHWSA-N 2 0 224.329 1.212 10 0 BDAERP C[C@H]([NH2+]CCOCC1CC1)[C@H]1CC[NH2+]C1 ZINC000400334026 533858649 /nfs/dbraw/zinc/85/86/49/533858649.db2.gz CRFZARZAPOJJMJ-JQWIXIFHSA-N 2 0 212.337 1.001 10 0 BDAERP C[C@H]([NH2+]CCOCC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400356704 533860727 /nfs/dbraw/zinc/86/07/27/533860727.db2.gz OQHHQRDJEKZVKN-JSGCOSHPSA-N 2 0 240.391 1.781 10 0 BDAERP C[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400736787 533862717 /nfs/dbraw/zinc/86/27/17/533862717.db2.gz KCQIJEWOSPBMOP-QWHCGFSZSA-N 2 0 234.343 1.653 10 0 BDAERP C[C@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400513200 533873677 /nfs/dbraw/zinc/87/36/77/533873677.db2.gz MDLZHPVBTPMVDA-WCQYABFASA-N 2 0 236.334 1.956 10 0 BDAERP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400709312 528126127 /nfs/dbraw/zinc/12/61/27/528126127.db2.gz LVTCVQNOFFDDCP-XQQFMLRXSA-N 2 0 228.380 1.373 10 0 BDAERP CC(C)SCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400586216 528320151 /nfs/dbraw/zinc/32/01/51/528320151.db2.gz SASLDCHZOGCYTQ-QWRGUYRKSA-N 2 0 216.394 1.716 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400720588 528502461 /nfs/dbraw/zinc/50/24/61/528502461.db2.gz OGVDQHSTVGMRHD-BFHYXJOUSA-N 2 0 241.423 1.693 10 0 BDAERP CCOCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400769756 528568969 /nfs/dbraw/zinc/56/89/69/528568969.db2.gz ZVNWEWPGOCYCNS-NWDGAFQWSA-N 2 0 228.380 1.637 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@]12C[N@@H+](C(C)(C)C)CC[C@H]2O ZINC000725245817 538003569 /nfs/dbraw/zinc/00/35/69/538003569.db2.gz MCCRZRVWRPRLMM-NQBHXWOUSA-N 2 0 226.364 1.077 10 0 BDAERP COC[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757125644 582499958 /nfs/dbraw/zinc/49/99/58/582499958.db2.gz FERQYMNDSKTXDE-RWMBFGLXSA-N 2 0 226.364 1.485 10 0 BDAERP C[C@H](F)CN1CCC[C@@]12CCC[NH2+]C2 ZINC000757124896 582500173 /nfs/dbraw/zinc/50/01/73/582500173.db2.gz CLEGSSOTUQATHQ-WDEREUQCSA-N 2 0 200.301 1.562 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757139819 582520426 /nfs/dbraw/zinc/52/04/26/582520426.db2.gz IAUWTMNTSVWTJA-LBPRGKRZSA-N 2 0 224.348 1.587 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757143478 582523498 /nfs/dbraw/zinc/52/34/98/582523498.db2.gz MYXBMHBTTBRAEK-UHFFFAOYSA-N 2 0 224.348 1.589 10 0 BDAERP C1CC1[C@@H]1C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1 ZINC000757150262 582534131 /nfs/dbraw/zinc/53/41/31/582534131.db2.gz QMNQEHABWXGNFL-GFCCVEGCSA-N 2 0 236.359 1.587 10 0 BDAERP C1CC1[C@@H]1CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757151616 582535530 /nfs/dbraw/zinc/53/55/30/582535530.db2.gz RDXHCWAWFTWSRE-ZDUSSCGKSA-N 2 0 236.359 1.729 10 0 BDAERP C[C@@H]1CC(C)(C)O[C@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757153715 582538263 /nfs/dbraw/zinc/53/82/63/582538263.db2.gz WYTARFGGWJKATD-YPMHNXCESA-N 2 0 226.364 1.975 10 0 BDAERP CC(C)[NH+]1CCN([C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396718807 583089263 /nfs/dbraw/zinc/08/92/63/583089263.db2.gz PMGJPXKZHHFJKA-OLZOCXBDSA-N 2 0 225.380 1.153 10 0 BDAERP c1cn2c([nH+]1)N[C@@H]([C@H]1CCC[NH2+]C1)CC2 ZINC000232456026 585030990 /nfs/dbraw/zinc/03/09/90/585030990.db2.gz FDOAVEVNONGBTO-VHSXEESVSA-N 2 0 206.293 1.067 10 0 BDAERP Cc1[nH+]ccc(N2CC[C@H]2C[NH3+])c1Cl ZINC000757140522 586427733 /nfs/dbraw/zinc/42/77/33/586427733.db2.gz BZJGEBVMRJBZMY-QMMMGPOBSA-N 2 0 211.696 1.581 10 0 BDAERP C[C@@H]1CC[NH2+]C[C@@H]1c1cccc(C[NH3+])c1 ZINC000757208426 586437939 /nfs/dbraw/zinc/43/79/39/586437939.db2.gz CRCADLQBAZIOLP-MFKMUULPSA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757211850 586438790 /nfs/dbraw/zinc/43/87/90/586438790.db2.gz JAQBPGKSIXVFHZ-HONMWMINSA-N 2 0 232.327 1.887 10 0 BDAERP C[C@@H]1N[C@@H](c2cccc(C[NH3+])c2)CC[C@H]1[NH3+] ZINC000757211830 586439111 /nfs/dbraw/zinc/43/91/11/586439111.db2.gz IUONSDWSEARGKW-ZWKOPEQDSA-N 2 0 219.332 1.286 10 0 BDAERP [NH3+][C@@H]1CC[NH2+][C@H](c2cccc(C=O)c2)C1 ZINC000757213379 586439513 /nfs/dbraw/zinc/43/95/13/586439513.db2.gz JVAWALPLCSDZHI-NEPJUHHUSA-N 2 0 204.273 1.251 10 0 BDAERP [NH3+][C@@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757213556 586439787 /nfs/dbraw/zinc/43/97/87/586439787.db2.gz LAXOITODIDRCOV-PWSUYJOCSA-N 2 0 215.300 1.920 10 0 BDAERP C[C@@H]1CN[C@H](c2cccc(C[NH3+])c2)[C@@H]([NH3+])C1 ZINC000757213602 586439831 /nfs/dbraw/zinc/43/98/31/586439831.db2.gz LCZIXMTWAXAYFZ-TVYUQYBPSA-N 2 0 219.332 1.143 10 0 BDAERP C[C@@H]1CN[C@@H](c2cccc(C[NH3+])c2)[C@@H]([NH3+])C1 ZINC000757213603 586439856 /nfs/dbraw/zinc/43/98/56/586439856.db2.gz LCZIXMTWAXAYFZ-XDTLVQLUSA-N 2 0 219.332 1.143 10 0 BDAERP CC(=O)c1ccc([C@H]2CC[C@H](C[NH3+])C[NH2+]2)cc1 ZINC000757213416 586439912 /nfs/dbraw/zinc/43/99/12/586439912.db2.gz KCANAPBLQMQROP-BXUZGUMPSA-N 2 0 232.327 1.889 10 0 BDAERP CC(=O)c1ccc([C@H]2C[NH2+]C[C@@H](C[NH3+])C2)cc1 ZINC000757214173 586440471 /nfs/dbraw/zinc/44/04/71/586440471.db2.gz LNCOSNKVFZMPIU-BXUZGUMPSA-N 2 0 232.327 1.541 10 0 BDAERP [NH3+]CC[C@H]1CC[C@H](c2cccc(C[NH3+])c2)[NH2+]C1 ZINC000757215947 586440507 /nfs/dbraw/zinc/44/05/07/586440507.db2.gz OOFFXXURQWUFNC-BXUZGUMPSA-N 3 0 233.359 1.535 10 0 BDAERP Nc1ccc(C2CC[NH2+]CC2)c2c1C[NH2+]CC2 ZINC000757215846 586440601 /nfs/dbraw/zinc/44/06/01/586440601.db2.gz OFSHSNRUPDZFDK-UHFFFAOYSA-N 2 0 231.343 1.382 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757216665 586441043 /nfs/dbraw/zinc/44/10/43/586441043.db2.gz QMRJZLCJCQWZEH-GXFFZTMASA-N 2 0 204.317 1.858 10 0 BDAERP [NH3+]C[C@@H]1CC[NH2+][C@@H](c2ccc(C=O)s2)C1 ZINC000757218135 586441735 /nfs/dbraw/zinc/44/17/35/586441735.db2.gz UCXXZXRPNIWGCD-PSASIEDQSA-N 2 0 224.329 1.560 10 0 BDAERP C[C@@H]1N[C@H](c2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000757217728 586441863 /nfs/dbraw/zinc/44/18/63/586441863.db2.gz SDEIQVAUWPLADC-XDTLVQLUSA-N 2 0 219.332 1.286 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1[NH2+][C@H](C)CC[C@H]1C[NH3+] ZINC000757238531 586444248 /nfs/dbraw/zinc/44/42/48/586444248.db2.gz SNBNPHHBLVWCQI-UHIISALHSA-N 2 0 233.359 1.965 10 0 BDAERP Nc1cc[nH+]c(-c2cccc(C[NH3+])c2)c1N ZINC000757572373 586463040 /nfs/dbraw/zinc/46/30/40/586463040.db2.gz QSZMRZAVRQNJIS-UHFFFAOYSA-N 2 0 214.272 1.372 10 0 BDAERP C[C@H]1C[N@H+](CCCCCC[NH3+])C[C@@H]1N(C)C ZINC000124245962 589970856 /nfs/dbraw/zinc/97/08/56/589970856.db2.gz QMAYTBQZRTXGIT-STQMWFEESA-N 2 0 227.396 1.387 10 0 BDAERP C[C@@H](CN[C@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000129161529 591266857 /nfs/dbraw/zinc/26/68/57/591266857.db2.gz CWAMDSHSKZRHIR-KBPBESRZSA-N 2 0 239.407 1.593 10 0 BDAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328556487 633776324 /nfs/dbraw/zinc/77/63/24/633776324.db2.gz AKOLXLMXVNFCFN-LZRJYULZSA-N 2 0 220.360 1.761 10 0 BDAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328556489 633777455 /nfs/dbraw/zinc/77/74/55/633777455.db2.gz AKOLXLMXVNFCFN-VTAXGKEESA-N 2 0 220.360 1.761 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094462072 635352913 /nfs/dbraw/zinc/35/29/13/635352913.db2.gz ULNPHMGMRGZKFV-RFGFWPKPSA-N 2 0 237.391 1.010 10 0 BDAERP CC[NH2+]CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000044651264 640447517 /nfs/dbraw/zinc/44/75/17/640447517.db2.gz FYGHONAIBIAFLI-CYBMUJFWSA-N 2 0 249.358 1.015 10 0 BDAERP C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717923300 711492655 /nfs/dbraw/zinc/49/26/55/711492655.db2.gz QEJYNWJUTHXEPV-KKOKHZNYSA-N 2 0 212.337 1.223 10 0 BDAERP CC(C)C[C@@H](O)C[NH2+]C1CCC([NH3+])CC1 ZINC000226074433 640725928 /nfs/dbraw/zinc/72/59/28/640725928.db2.gz HWFYMEYGEPZACQ-HTAVTVPLSA-N 2 0 214.353 1.253 10 0 BDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000227650117 640844295 /nfs/dbraw/zinc/84/42/95/640844295.db2.gz GPMYQYDMYDTXTA-MGPQQGTHSA-N 2 0 237.391 1.297 10 0 BDAERP CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666786 643363717 /nfs/dbraw/zinc/36/37/17/643363717.db2.gz HDJMCMXHXGGUQM-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP OCc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000250255102 644749852 /nfs/dbraw/zinc/74/98/52/644749852.db2.gz SFYKAQVUWIQATA-AWEZNQCLSA-N 2 0 247.342 1.248 10 0 BDAERP CC[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000724009751 711555332 /nfs/dbraw/zinc/55/53/32/711555332.db2.gz NZAZDPZTOHLIHN-WCQYABFASA-N 2 0 226.364 1.533 10 0 BDAERP COCC1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000714005058 712476959 /nfs/dbraw/zinc/47/69/59/712476959.db2.gz GARGTVHMXHDDCX-YECOWLKZSA-N 2 0 212.337 1.271 10 0 BDAERP COCC1CC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000714004597 712477155 /nfs/dbraw/zinc/47/71/55/712477155.db2.gz DAQNDAJZPDFTDA-RUJICJSRSA-N 2 0 212.337 1.128 10 0 BDAERP COC[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000721915317 710690570 /nfs/dbraw/zinc/69/05/70/710690570.db2.gz UHLONWPVEDHUGF-FQUUOJAGSA-N 2 0 240.391 1.574 10 0 BDAERP C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700403414 711991945 /nfs/dbraw/zinc/99/19/45/711991945.db2.gz INRYKXFDOQSIEW-CHWSQXEVSA-N 2 0 226.364 1.487 10 0 BDAERP C[N@H+](C[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]CC1 ZINC000708347537 712190282 /nfs/dbraw/zinc/19/02/82/712190282.db2.gz JCSZGUFZCCTWPG-STQMWFEESA-N 2 0 240.391 1.875 10 0 BDAERP COCC1CC([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000714005023 712477054 /nfs/dbraw/zinc/47/70/54/712477054.db2.gz FPVICBPUAFQLJR-MOENNCHZSA-N 2 0 212.337 1.143 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2CCO[C@@H]2C)CC1 ZINC000714753586 712497272 /nfs/dbraw/zinc/49/72/72/712497272.db2.gz KMPPPEHLSOTTLZ-GHMZBOCLSA-N 2 0 212.337 1.367 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H](COC)C2CC2)CC1 ZINC000714752632 712497376 /nfs/dbraw/zinc/49/73/76/712497376.db2.gz DBRNQVCQXGQKTE-LBPRGKRZSA-N 2 0 226.364 1.615 10 0 BDAERP Cc1c[nH+]ccc1NC[C@H]1C[NH2+]CCC1(F)F ZINC000717013422 712604686 /nfs/dbraw/zinc/60/46/86/712604686.db2.gz NSHGUGFBGKDCQG-SNVBAGLBSA-N 2 0 241.285 1.469 10 0 BDAERP CC(=O)[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000111690305 712688188 /nfs/dbraw/zinc/68/81/88/712688188.db2.gz BJTQCRIZSVCYIE-ZDUSSCGKSA-N 2 0 235.331 1.574 10 0 BDAERP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CCN2CC ZINC000685955208 538900700 /nfs/dbraw/zinc/90/07/00/538900700.db2.gz WDHWSKYRWDIMJG-LBPRGKRZSA-N 2 0 225.380 1.284 10 0 BDAERP CCC1([NH+]2CCSCC2)CC[NH2+]CC1 ZINC000685961524 538908646 /nfs/dbraw/zinc/90/86/46/538908646.db2.gz SNHBGRUAGAYJRB-UHFFFAOYSA-N 2 0 214.378 1.567 10 0 BDAERP C[C@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CCOC1 ZINC000335034383 136214781 /nfs/dbraw/zinc/21/47/81/136214781.db2.gz QUPVPBHVJDPPHK-NWDGAFQWSA-N 2 0 212.337 1.145 10 0 BDAERP Cc1cc(N(C)CC[NH+](C)C)ccc1C[C@H](C)[NH3+] ZINC000104258448 178099077 /nfs/dbraw/zinc/09/90/77/178099077.db2.gz MKOPULMBTGMLII-ZDUSSCGKSA-N 2 0 249.402 1.883 10 0 BDAERP C[N@H+](CCc1cn[nH]c1)[C@@H]1CCC[NH2+]CC1 ZINC000380960515 398215032 /nfs/dbraw/zinc/21/50/32/398215032.db2.gz APPHLLWUGQOCCD-GFCCVEGCSA-N 2 0 222.336 1.026 10 0 BDAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335517331 398290329 /nfs/dbraw/zinc/29/03/29/398290329.db2.gz JOHSLXKOBZCJAC-NWINJMCUSA-N 3 0 239.407 1.719 10 0 BDAERP CC[N@@H+]1C[C@H](C)[C@H](Nc2cc[nH+]cc2C)C1 ZINC000390657830 539027015 /nfs/dbraw/zinc/02/70/15/539027015.db2.gz RFXFFKWGPXUOFG-WCQYABFASA-N 2 0 219.332 1.564 10 0 BDAERP C[C@@]([NH3+])(C[N@@H+]1CCCSCC1)C1CC1 ZINC000042444960 361999877 /nfs/dbraw/zinc/99/98/77/361999877.db2.gz LIOJEZIJWWTSGM-LLVKDONJSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037608555 398332468 /nfs/dbraw/zinc/33/24/68/398332468.db2.gz YTQFBGQFTFFIKT-JTQLQIEISA-N 2 0 235.331 1.424 10 0 BDAERP Cc1cnn(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000235954192 343067893 /nfs/dbraw/zinc/06/78/93/343067893.db2.gz KKMGCJJUNXJYNX-NEPJUHHUSA-N 2 0 222.336 1.051 10 0 BDAERP C[C@H]1[NH2+]CCC[C@H]1C[NH+]1CCSCC1 ZINC000306669296 362032307 /nfs/dbraw/zinc/03/23/07/362032307.db2.gz GMYRMMDKVKGWTJ-MNOVXSKESA-N 2 0 214.378 1.423 10 0 BDAERP c1ccc(N2CC[NH+]=C2C2CC[NH2+]CC2)cc1 ZINC000142039275 343103480 /nfs/dbraw/zinc/10/34/80/343103480.db2.gz RXZOASYBUCNFMX-UHFFFAOYSA-N 2 0 229.327 1.905 10 0 BDAERP COCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562957101 323035054 /nfs/dbraw/zinc/03/50/54/323035054.db2.gz WEEHMXYAHDKGSJ-VXGBXAGGSA-N 2 0 228.380 1.637 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214402 343151089 /nfs/dbraw/zinc/15/10/89/343151089.db2.gz PSQJLECAXLHYHP-BFHYXJOUSA-N 2 0 241.423 1.822 10 0 BDAERP C(C[NH+]1CCCC1)OC[C@H]1CCC[NH2+]C1 ZINC000051815179 343263381 /nfs/dbraw/zinc/26/33/81/343263381.db2.gz CRONAKNFTMZQPO-LBPRGKRZSA-N 2 0 212.337 1.098 10 0 BDAERP CC(C)[NH+]1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000036190234 187258640 /nfs/dbraw/zinc/25/86/40/187258640.db2.gz ARKJZIVAFXFCPN-UHFFFAOYSA-N 2 0 239.407 1.674 10 0 BDAERP CC(C)[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC000036189994 187259192 /nfs/dbraw/zinc/25/91/92/187259192.db2.gz MXZVCEVMMAANCY-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH+](C)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082943876 343472089 /nfs/dbraw/zinc/47/20/89/343472089.db2.gz JKBHQZQIAIIAKK-SRVKXCTJSA-N 2 0 226.364 1.341 10 0 BDAERP CC(C)[N@H+](CCCO)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] ZINC000042498996 187265844 /nfs/dbraw/zinc/26/58/44/187265844.db2.gz LZKJVCCIPWTQKN-HZSPNIEDSA-N 2 0 242.407 1.843 10 0 BDAERP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000584107180 343597511 /nfs/dbraw/zinc/59/75/11/343597511.db2.gz NUCZNYLKHRGXMH-GXTWGEPZSA-N 2 0 248.370 1.912 10 0 BDAERP C[NH2+]Cc1ccc(N(C)[C@@H]2CCC[N@H+](C)C2)nc1 ZINC000053249083 187272525 /nfs/dbraw/zinc/27/25/25/187272525.db2.gz QEERCTSCJLBMMA-CYBMUJFWSA-N 2 0 248.374 1.331 10 0 BDAERP [NH3+]CCC[N@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409427990 343802536 /nfs/dbraw/zinc/80/25/36/343802536.db2.gz LNEXUDFHYZDEGV-ZJUUUORDSA-N 2 0 218.291 1.702 10 0 BDAERP CCOC[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000313284371 343791053 /nfs/dbraw/zinc/79/10/53/343791053.db2.gz FGCHTTMKOQIXHV-ZDUSSCGKSA-N 2 0 226.364 1.629 10 0 BDAERP C[NH+](C)[C@H]1CCN(C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000062964422 187274043 /nfs/dbraw/zinc/27/40/43/187274043.db2.gz QQHOHHWITJNQDS-CABCVRRESA-N 2 0 247.386 1.365 10 0 BDAERP CN(Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCCO1 ZINC000128589863 349869275 /nfs/dbraw/zinc/86/92/75/349869275.db2.gz PFQYGIUWCFMNRW-KBPBESRZSA-N 2 0 234.343 1.625 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000409433110 343826603 /nfs/dbraw/zinc/82/66/03/343826603.db2.gz XJCCDWVBOGRTHB-IUCAKERBSA-N 2 0 204.264 1.312 10 0 BDAERP C1CC[C@H]2[C@@H](C1)COCC[N@@H+]2C1CC[NH2+]CC1 ZINC000409435862 343840272 /nfs/dbraw/zinc/84/02/72/343840272.db2.gz WZNDWOSRBJCHED-JSGCOSHPSA-N 2 0 238.375 1.629 10 0 BDAERP C[C@@H]1SCC[N@H+](CCC(C)(C)[NH3+])[C@H]1C ZINC000132465665 343929688 /nfs/dbraw/zinc/92/96/88/343929688.db2.gz XPKGBSJKBVHKTI-UWVGGRQHSA-N 2 0 216.394 1.940 10 0 BDAERP CC(C)[C@@H]1CN(C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000083060502 187283547 /nfs/dbraw/zinc/28/35/47/187283547.db2.gz MGMCANUTXVMVAK-ZDUSSCGKSA-N 2 0 225.380 1.010 10 0 BDAERP CC(=O)CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000103473840 187291596 /nfs/dbraw/zinc/29/15/96/187291596.db2.gz JJHNSHRGVGEONN-CYBMUJFWSA-N 2 0 247.342 1.795 10 0 BDAERP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000235165850 344832793 /nfs/dbraw/zinc/83/27/93/344832793.db2.gz RDKWSXCYWIIKCR-CHWFTXMASA-N 2 0 214.378 1.740 10 0 BDAERP CC[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000248237257 345085913 /nfs/dbraw/zinc/08/59/13/345085913.db2.gz FIMFRDJROGUFBE-LSDHHAIUSA-N 2 0 248.370 1.479 10 0 BDAERP [NH3+][C@@H](CCc1ccccc1)C1CC[NH2+]CC1 ZINC000149555336 537890275 /nfs/dbraw/zinc/89/02/75/537890275.db2.gz UXQNTCXQPHEZRP-AWEZNQCLSA-N 2 0 218.344 1.946 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000307214518 345240392 /nfs/dbraw/zinc/24/03/92/345240392.db2.gz RUUVAZTZMDLPIK-BBBLOLIVSA-N 2 0 214.378 1.740 10 0 BDAERP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998191 345197165 /nfs/dbraw/zinc/19/71/65/345197165.db2.gz CBHBPTDMESUQOY-KCJUWKMLSA-N 2 0 222.336 1.053 10 0 BDAERP C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CSCCS1 ZINC000229587218 187301427 /nfs/dbraw/zinc/30/14/27/187301427.db2.gz NCYIWJMVJRIQCW-QWRGUYRKSA-N 2 0 246.445 1.567 10 0 BDAERP Cc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)o1 ZINC000104196896 178854497 /nfs/dbraw/zinc/85/44/97/178854497.db2.gz SNROYRFZRIEGMX-GFCCVEGCSA-N 2 0 239.363 1.471 10 0 BDAERP C[C@H](c1ccc[nH]1)N1CCCC[C@H]1C[NH3+] ZINC000253612731 345692917 /nfs/dbraw/zinc/69/29/17/345692917.db2.gz IQQMOMUKMGXIKN-MNOVXSKESA-N 2 0 207.321 1.889 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2ccccn2)CC1 ZINC000257352168 345773746 /nfs/dbraw/zinc/77/37/46/345773746.db2.gz JPMHHLKOXLFJQE-XYPYZODXSA-N 2 0 233.315 1.124 10 0 BDAERP CC(C)[N@H+](C)Cc1ccccc1C(N)=[NH2+] ZINC000019470373 187313669 /nfs/dbraw/zinc/31/36/69/187313669.db2.gz RBLKPRIGGRVWEZ-UHFFFAOYSA-N 2 0 205.305 1.811 10 0 BDAERP C[C@H]([NH2+]Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000149283248 346100462 /nfs/dbraw/zinc/10/04/62/346100462.db2.gz VXKGLACRLFQFOI-AAEUAGOBSA-N 2 0 204.317 1.774 10 0 BDAERP CC1(C)SC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000307598921 187317933 /nfs/dbraw/zinc/31/79/33/187317933.db2.gz QECVZEVMUYAQNJ-UDNWOFFPSA-N 2 0 214.378 1.740 10 0 BDAERP C[C@@H](C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377556 537964898 /nfs/dbraw/zinc/96/48/98/537964898.db2.gz TUWYQMGBNOMHNA-JSGCOSHPSA-N 2 0 234.343 1.218 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378413 537965871 /nfs/dbraw/zinc/96/58/71/537965871.db2.gz DMZJLPXVXFRWJC-JHJVBQTASA-N 2 0 225.380 1.045 10 0 BDAERP C[C@H](C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377891 537966198 /nfs/dbraw/zinc/96/61/98/537966198.db2.gz ZIQQSXSZORIRHV-HIFRSBDPSA-N 2 0 248.370 1.608 10 0 BDAERP CC[N@H+](CC(C)C)C[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378613 537969081 /nfs/dbraw/zinc/96/90/81/537969081.db2.gz JFHFPWIHLQGPPO-OLZOCXBDSA-N 2 0 227.396 1.149 10 0 BDAERP COc1cc(CN(C)[C@H]2CCC[NH2+]CC2)on1 ZINC000641799347 362748927 /nfs/dbraw/zinc/74/89/27/362748927.db2.gz VEBAAAISLXBCDF-JTQLQIEISA-N 2 0 239.319 1.257 10 0 BDAERP CCC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000582073870 347175730 /nfs/dbraw/zinc/17/57/30/347175730.db2.gz SOWIOTJXZVIJHV-AGIUHOORSA-N 2 0 228.380 1.515 10 0 BDAERP CO[C@@H]([C@@H](C)[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000388286353 347291929 /nfs/dbraw/zinc/29/19/29/347291929.db2.gz QSTTZBKGBPREMJ-QWCHVHKLSA-N 2 0 226.364 1.659 10 0 BDAERP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335516255 136741683 /nfs/dbraw/zinc/74/16/83/136741683.db2.gz JOHSLXKOBZCJAC-HOAMVYINSA-N 3 0 239.407 1.719 10 0 BDAERP CC[C@@H]1C[N@@H+]([C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251753006 362906181 /nfs/dbraw/zinc/90/61/81/362906181.db2.gz LLXDNUWGLUNJEG-GMTAPVOTSA-N 2 0 214.378 1.551 10 0 BDAERP COCC[N@@H+]1CCN(c2cc[nH+]cc2C)C[C@@H]1C ZINC000248663294 349145553 /nfs/dbraw/zinc/14/55/53/349145553.db2.gz JTJPBWYCIRLBSA-ZDUSSCGKSA-N 2 0 249.358 1.547 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000302409595 350087165 /nfs/dbraw/zinc/08/71/65/350087165.db2.gz PKHHFZFDCXZAAV-DGCLKSJQSA-N 2 0 240.391 1.467 10 0 BDAERP COc1cccc(C[C@H]2C[N@H+](C)CC[C@H]2[NH3+])c1 ZINC000006780165 350087730 /nfs/dbraw/zinc/08/77/30/350087730.db2.gz BBMMDMHFHHAQRZ-GXTWGEPZSA-N 2 0 234.343 1.517 10 0 BDAERP Cc1nc(N2CCC[N@@H+](C)CC2)sc1C[NH3+] ZINC000054968943 180002624 /nfs/dbraw/zinc/00/26/24/180002624.db2.gz BNMVEDGVTVUQIU-UHFFFAOYSA-N 2 0 240.376 1.052 10 0 BDAERP Cc1nccn1CC[NH+]1CCC(CC[NH3+])CC1 ZINC000042427831 180251946 /nfs/dbraw/zinc/25/19/46/180251946.db2.gz UZYQPOZEZGGACX-UHFFFAOYSA-N 2 0 236.363 1.252 10 0 BDAERP CC(C)[NH2+]Cc1cnc2c(cnn2C2C[NH2+]C2)c1 ZINC000725258867 538077340 /nfs/dbraw/zinc/07/73/40/538077340.db2.gz HLOPSOAKMSREOO-UHFFFAOYSA-N 2 0 245.330 1.074 10 0 BDAERP CC(C)=CC[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260463 538082771 /nfs/dbraw/zinc/08/27/71/538082771.db2.gz SQSSHCBDOBEZDF-NSHDSACASA-N 2 0 249.362 1.123 10 0 BDAERP C[C@@H]1CSC(NC[C@@H]2CCCN2C)=[NH+]1 ZINC000226117872 350400835 /nfs/dbraw/zinc/40/08/35/350400835.db2.gz VOFXVTQOBKFTKR-BDAKNGLRSA-N 2 0 213.350 1.162 10 0 BDAERP C/C(=C\Cl)CN1CCCC[C@@H]1C[NH3+] ZINC000308115322 350530325 /nfs/dbraw/zinc/53/03/25/350530325.db2.gz WZXQPJWYQRGATC-OLKPEBQYSA-N 2 0 202.729 1.942 10 0 BDAERP CCN1C[C@H]([NH2+]C2CSC2)[C@@H](C)C1 ZINC000307319030 490658885 /nfs/dbraw/zinc/65/88/85/490658885.db2.gz 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/nfs/dbraw/zinc/42/85/43/351428543.db2.gz CYKOCJWEVBCCLU-KXUCPTDWSA-N 2 0 200.351 1.304 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CSC2(C)C)C1 ZINC000307147502 351500433 /nfs/dbraw/zinc/50/04/33/351500433.db2.gz IBIVVSRILBBTMQ-VHSXEESVSA-N 2 0 214.378 1.422 10 0 BDAERP FC1(F)CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000307286738 351849855 /nfs/dbraw/zinc/84/98/55/351849855.db2.gz RWTRBGHJNHBQJO-BDAKNGLRSA-N 2 0 204.264 1.373 10 0 BDAERP [NH3+][C@@H]1CC12CCC([N@@H+]1CCC[C@H](CO)C1)CC2 ZINC000725270445 538102131 /nfs/dbraw/zinc/10/21/31/538102131.db2.gz NAFFQNMCSRCWNF-RJZJGCCBSA-N 2 0 238.375 1.351 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccnc(Br)c1 ZINC000307426632 352593445 /nfs/dbraw/zinc/59/34/45/352593445.db2.gz XOFRNJBFIOTMBU-ZETCQYMHSA-N 2 0 230.109 1.193 10 0 BDAERP CO[C@@H](CC[NH3+])C[N@H+](C)Cc1ccccc1 ZINC000307490982 352621388 /nfs/dbraw/zinc/62/13/88/352621388.db2.gz GDRUQNSHAJTMFC-ZDUSSCGKSA-N 2 0 222.332 1.482 10 0 BDAERP CS[C@@H]1CC[N@@H+]([C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000307508430 352627311 /nfs/dbraw/zinc/62/73/11/352627311.db2.gz NJCRPUNLTSXDCE-KXUCPTDWSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1C[C@@H](C)C[NH+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273861 538105049 /nfs/dbraw/zinc/10/50/49/538105049.db2.gz NWSAWUIPWASLGS-CHWSQXEVSA-N 2 0 239.407 1.387 10 0 BDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12C[NH+]=C(N)O2 ZINC000306508114 353020402 /nfs/dbraw/zinc/02/04/02/353020402.db2.gz ACRDZAKJTRIDQT-FZMZJTMJSA-N 2 0 245.326 1.365 10 0 BDAERP CC(C)[N@H+](C)Cc1ccc(C(N)=[NH2+])cc1F ZINC000019489238 187935092 /nfs/dbraw/zinc/93/50/92/187935092.db2.gz DGPHBBQUWYLTPN-UHFFFAOYSA-N 2 0 223.295 1.950 10 0 BDAERP [NH3+][C@@H]1CCCN(C[C@@H]2CCCSC2)C1 ZINC000307703573 353046451 /nfs/dbraw/zinc/04/64/51/353046451.db2.gz VTVFSKMXNOBQQC-WDEREUQCSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@H]([NH3+])c1ccccc1OCC[NH+](C)C ZINC000022213531 188008841 /nfs/dbraw/zinc/00/88/41/188008841.db2.gz BHUSOUBUEUSSSY-JTQLQIEISA-N 2 0 208.305 1.647 10 0 BDAERP 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BDAERP [NH2+]=C1c2ccccc2CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000020078819 181207617 /nfs/dbraw/zinc/20/76/17/181207617.db2.gz XPLBROORWQXOFF-CQSZACIVSA-N 2 0 241.338 1.922 10 0 BDAERP COc1nsc(C2=C[C@@H]([NH3+])CNC2)c1Cl ZINC000675078565 538515881 /nfs/dbraw/zinc/51/58/81/538515881.db2.gz QSSGGLYHGCSSMH-ZCFIWIBFSA-N 2 0 245.735 1.119 10 0 BDAERP Cc1ccc(C2=C[C@H]([NH3+])CNC2)c(F)c1 ZINC000675078679 538516144 /nfs/dbraw/zinc/51/61/44/538516144.db2.gz RKCSMQUTXIUWRJ-JTQLQIEISA-N 2 0 206.264 1.448 10 0 BDAERP [NH3+][C@@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675079589 538517097 /nfs/dbraw/zinc/51/70/97/538517097.db2.gz FCDMCMMHHKMLCB-CQSZACIVSA-N 2 0 246.354 1.769 10 0 BDAERP CCN1CC[NH+]([C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000257789120 538766340 /nfs/dbraw/zinc/76/63/40/538766340.db2.gz WWIMIKNQYNZODE-OLZOCXBDSA-N 2 0 225.380 1.141 10 0 BDAERP C[C@@H]([NH2+]CCOCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000583687485 357119588 /nfs/dbraw/zinc/11/95/88/357119588.db2.gz FVHLOAPFJHFTEH-YPMHNXCESA-N 2 0 226.364 1.391 10 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/nfs/dbraw/zinc/01/54/32/361015432.db2.gz ZOTHJAVNFDNSKK-UWVGGRQHSA-N 2 0 214.378 1.564 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000622043922 370675223 /nfs/dbraw/zinc/67/52/23/370675223.db2.gz POITXPGZUXGCTG-LPEHRKFASA-N 2 0 218.291 1.619 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000629550542 361443061 /nfs/dbraw/zinc/44/30/61/361443061.db2.gz ZCDHDJWSMSSQET-ZBAXXZLZSA-N 2 0 224.348 1.142 10 0 BDAERP [NH3+]C1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000061147530 181341358 /nfs/dbraw/zinc/34/13/58/181341358.db2.gz ZNCRXZDEEBKNQK-MOENNCHZSA-N 2 0 212.337 1.130 10 0 BDAERP [NH3+]C1CCC([N@@H+]2CCCSCC2)CC1 ZINC000055144482 181341662 /nfs/dbraw/zinc/34/16/62/181341662.db2.gz FSKVVIPMWYFOAN-UHFFFAOYSA-N 2 0 214.378 1.695 10 0 BDAERP [NH3+]C1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000011729585 181343433 /nfs/dbraw/zinc/34/34/33/181343433.db2.gz AHKXUKBDUQKIMJ-CQSZACIVSA-N 2 0 234.343 1.533 10 0 BDAERP C[C@H](C[NH+](C)C)NC1=[NH+]C[C@@H](C)S1 ZINC000130673691 364015081 /nfs/dbraw/zinc/01/50/81/364015081.db2.gz NIDARMVLJRDORW-HTQZYQBOSA-N 2 0 201.339 1.017 10 0 BDAERP CO[C@H]1CN(Cc2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630359661 364079054 /nfs/dbraw/zinc/07/90/54/364079054.db2.gz DHYBNUQUHXBHBD-OLZOCXBDSA-N 2 0 235.331 1.020 10 0 BDAERP CO[C@H]1C[N@H+](CCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630369877 364087683 /nfs/dbraw/zinc/08/76/83/364087683.db2.gz XGHBHAXXZSOAJS-CHWSQXEVSA-N 2 0 226.364 1.615 10 0 BDAERP CO[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)[C@](C)(C[NH3+])C1 ZINC000630370334 364088136 /nfs/dbraw/zinc/08/81/36/364088136.db2.gz ZGPPRPCOVIKDLK-BJDJZHNGSA-N 2 0 212.337 1.081 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630554995 364253668 /nfs/dbraw/zinc/25/36/68/364253668.db2.gz XULAMVXFESMXAM-QWRGUYRKSA-N 2 0 205.305 1.421 10 0 BDAERP [NH3+]CC1(C[NH+]2CCCCC2)CCOCC1 ZINC000052180899 181359245 /nfs/dbraw/zinc/35/92/45/181359245.db2.gz SOMOXOWVVSFFHD-UHFFFAOYSA-N 2 0 212.337 1.228 10 0 BDAERP [NH3+]CC1(CC[NH+]2CCOCC2)CCCCC1 ZINC000133722028 181359431 /nfs/dbraw/zinc/35/94/31/181359431.db2.gz KSUFPUNENYNOQE-UHFFFAOYSA-N 2 0 226.364 1.618 10 0 BDAERP [NH3+]CCCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000037039972 181376533 /nfs/dbraw/zinc/37/65/33/181376533.db2.gz DFZGBPYUAHGRMG-UHFFFAOYSA-N 2 0 239.407 1.676 10 0 BDAERP [NH3+]CCCC[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757112 181377673 /nfs/dbraw/zinc/37/76/73/181377673.db2.gz RCUBYRUQLLEYBR-UHFFFAOYSA-N 2 0 231.299 1.679 10 0 BDAERP CCC(CC)(CO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579941818 367092561 /nfs/dbraw/zinc/09/25/61/367092561.db2.gz APVVYNWWFCUZOI-CHWSQXEVSA-N 2 0 242.407 1.763 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000380758787 367298978 /nfs/dbraw/zinc/29/89/78/367298978.db2.gz VRFWMHBJEQRHDB-OLZOCXBDSA-N 2 0 227.396 1.447 10 0 BDAERP Cc1[nH+]ccc(N[C@H](CC[NH3+])C(F)F)c1Cl ZINC000383305813 367612690 /nfs/dbraw/zinc/61/26/90/367612690.db2.gz OPMULINHYWHPGK-MRVPVSSYSA-N 2 0 249.692 1.860 10 0 BDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000383914914 367658383 /nfs/dbraw/zinc/65/83/83/367658383.db2.gz GDUYLLXNSBWQBX-AAEUAGOBSA-N 2 0 220.316 1.609 10 0 BDAERP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000566004105 325982608 /nfs/dbraw/zinc/98/26/08/325982608.db2.gz QZZYNZAZLONXKP-IJLUTSLNSA-N 2 0 214.353 1.389 10 0 BDAERP OC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000385975955 367893074 /nfs/dbraw/zinc/89/30/74/367893074.db2.gz HKALCONKCSKFIY-QWHCGFSZSA-N 2 0 226.364 1.269 10 0 BDAERP Cc1cc(N2CCC([NH3+])CC2)c(C)c[nH+]1 ZINC000107198527 369335752 /nfs/dbraw/zinc/33/57/52/369335752.db2.gz KIOOIGKXPZCWML-UHFFFAOYSA-N 2 0 205.305 1.626 10 0 BDAERP C[C@H](C[NH3+])C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226666451 371719171 /nfs/dbraw/zinc/71/91/71/371719171.db2.gz KMWLBKCETIWCFR-BBBLOLIVSA-N 2 0 202.367 1.407 10 0 BDAERP C[C@@H]1CN([C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000226670186 371719756 /nfs/dbraw/zinc/71/97/56/371719756.db2.gz PAAGCDLZAIHLQW-AEJSXWLSSA-N 2 0 200.351 1.174 10 0 BDAERP C[C@@H](C(N)=[NH2+])N1CCS[C@@H](C)[C@H]1C ZINC000132441046 371822213 /nfs/dbraw/zinc/82/22/13/371822213.db2.gz RUHKFWIASUNFBN-CSMHCCOUSA-N 2 0 201.339 1.137 10 0 BDAERP CC(C)[C@@](C)(C[NH3+])N1CCOC[C@@H]1C ZINC000217703709 371999526 /nfs/dbraw/zinc/99/95/26/371999526.db2.gz UJUAHMFWZKGHCK-WDEREUQCSA-N 2 0 200.326 1.081 10 0 BDAERP C[NH2+]C[C@H](C)N1CCSC(C)(C)C1 ZINC000133417437 372044441 /nfs/dbraw/zinc/04/44/41/372044441.db2.gz HYKDGXJOBPDLDJ-VIFPVBQESA-N 2 0 202.367 1.422 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000631836983 372624367 /nfs/dbraw/zinc/62/43/67/372624367.db2.gz KXOMWVKWTPKPHC-LBELIVKGSA-N 2 0 208.349 1.559 10 0 BDAERP C[C@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000631836600 372625541 /nfs/dbraw/zinc/62/55/41/372625541.db2.gz CJXHFGCPMNXMFA-CMPLNLGQSA-N 2 0 210.365 1.949 10 0 BDAERP Cc1cc(C)n(CC[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837068 372627225 /nfs/dbraw/zinc/62/72/25/372627225.db2.gz MJSHGBRMLQLKPE-MFKMUULPSA-N 2 0 236.363 1.027 10 0 BDAERP C[C@H]1C[N@H+](CCCCCF)C[C@H]1C[NH3+] ZINC000631838485 372631654 /nfs/dbraw/zinc/63/16/54/372631654.db2.gz PFPMQWALAUBUAM-WDEREUQCSA-N 2 0 202.317 1.653 10 0 BDAERP C[C@@H]1CSCCN1CC1([NH3+])CCCC1 ZINC000069762540 373730273 /nfs/dbraw/zinc/73/02/73/373730273.db2.gz JAYRRGARYDEMMP-SNVBAGLBSA-N 2 0 214.378 1.695 10 0 BDAERP O[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128943690 183224934 /nfs/dbraw/zinc/22/49/34/183224934.db2.gz OFOYHEZLQGIHIM-ZIAGYGMSSA-N 2 0 234.343 1.452 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@@H]([NH2+]CC)C2)CC1 ZINC000049557859 169186147 /nfs/dbraw/zinc/18/61/47/169186147.db2.gz YCCWMGCOIHXQFL-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCC(C[NH3+])(N(CC)C2CC2)CC1 ZINC000037079716 169186516 /nfs/dbraw/zinc/18/65/16/169186516.db2.gz JXBPFFIVQYLCAD-UHFFFAOYSA-N 2 0 239.407 1.674 10 0 BDAERP CCC[NH+]1CCC(Nc2cc[nH+]cc2N)CC1 ZINC000049554942 169189569 /nfs/dbraw/zinc/18/95/69/169189569.db2.gz LNVCINHKWDTJHM-UHFFFAOYSA-N 2 0 234.347 1.950 10 0 BDAERP CCC[NH+]1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764208 169203130 /nfs/dbraw/zinc/20/31/30/169203130.db2.gz MTQJDXMHBSYGQJ-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccncc2)CC1 ZINC000044419040 169203660 /nfs/dbraw/zinc/20/36/60/169203660.db2.gz JKQNHXCTWLHSFM-AWEZNQCLSA-N 2 0 248.374 1.109 10 0 BDAERP CCC[NH2+]CC(C)(C)CN1CCC[N@H+](C)CC1 ZINC000051213747 169255274 /nfs/dbraw/zinc/25/52/74/169255274.db2.gz MXJPDGQNKSOWQX-UHFFFAOYSA-N 2 0 241.423 1.650 10 0 BDAERP CCC[NH2+]CCCOC1CC[NH+](C)CC1 ZINC000052596589 169256534 /nfs/dbraw/zinc/25/65/34/169256534.db2.gz YKLWYCMOZGKZPQ-UHFFFAOYSA-N 2 0 214.353 1.487 10 0 BDAERP CCC[NH2+]C[C@@]1(C[NH+]2CCCC2)CCCOC1 ZINC000104318684 169263667 /nfs/dbraw/zinc/26/36/67/169263667.db2.gz KPRXFGBWJVIGAW-CQSZACIVSA-N 2 0 240.391 1.879 10 0 BDAERP CCC[NH2+]C[C@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000053031553 169264646 /nfs/dbraw/zinc/26/46/46/169264646.db2.gz RWKNWISHXYYHHB-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP CCC[NH2+]Cc1cnc(CC[NH+](CC)CC)[nH]1 ZINC000062821149 169265950 /nfs/dbraw/zinc/26/59/50/169265950.db2.gz JRUBDNCLWZLQLB-UHFFFAOYSA-N 2 0 238.379 1.794 10 0 BDAERP c1ccc(CN2CC[NH2+]CC3(CC3)C2)cc1 ZINC000084483404 183398386 /nfs/dbraw/zinc/39/83/86/183398386.db2.gz ZLTPKDSTVSITCU-UHFFFAOYSA-N 2 0 216.328 1.872 10 0 BDAERP CCC[NH2+][C@@H](C)[C@@H]1CCCN(CC[NH+](C)C)C1 ZINC000104421686 169275666 /nfs/dbraw/zinc/27/56/66/169275666.db2.gz OKECURDVGIMDIX-UONOGXRCSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CC[NH+](CCC)CC1 ZINC000043805681 169275957 /nfs/dbraw/zinc/27/59/57/169275957.db2.gz FRGOUORTRKZJSX-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@@H](CC)CN1CC[N@H+](CC)[C@H](C)C1 ZINC000104135876 169277690 /nfs/dbraw/zinc/27/76/90/169277690.db2.gz MVHZJQQFHFZVBS-KGLIPLIRSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[C@@H](C)C[NH+]1CCN(C(C)(C)C[NH3+])CC1 ZINC000104059887 169358497 /nfs/dbraw/zinc/35/84/97/169358497.db2.gz IMMJHQRMVNQZTF-CYBMUJFWSA-N 2 0 241.423 1.778 10 0 BDAERP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCSC1)CC2 ZINC000308829965 384329431 /nfs/dbraw/zinc/32/94/31/384329431.db2.gz ADJQVXZANAYDDZ-IUCAKERBSA-N 2 0 223.345 1.362 10 0 BDAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])c1cccnc1 ZINC000011848788 384623248 /nfs/dbraw/zinc/62/32/48/384623248.db2.gz XBNULPZEUAQHDY-CQSZACIVSA-N 2 0 244.342 1.493 10 0 BDAERP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000398286181 384888465 /nfs/dbraw/zinc/88/84/65/384888465.db2.gz IVPNYIAMZJLUAI-QEJZJMRPSA-N 2 0 230.355 1.989 10 0 BDAERP FC(F)(F)OCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000398247382 384865557 /nfs/dbraw/zinc/86/55/57/384865557.db2.gz IXOADXLUYZEVMY-QMMMGPOBSA-N 2 0 226.242 1.255 10 0 BDAERP CC(=O)CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000154561122 385337093 /nfs/dbraw/zinc/33/70/93/385337093.db2.gz YPOWRYHWGJMKHP-ZDUSSCGKSA-N 2 0 235.331 1.635 10 0 BDAERP Cc1csc(CC[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000168750291 385386096 /nfs/dbraw/zinc/38/60/96/385386096.db2.gz RFTWNUIKVDOKJD-NSHDSACASA-N 2 0 239.388 1.726 10 0 BDAERP C([C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC000169726664 385418179 /nfs/dbraw/zinc/41/81/79/385418179.db2.gz DXBDJDMVMPNVIN-AAEUAGOBSA-N 2 0 208.349 1.718 10 0 BDAERP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000309134068 385428104 /nfs/dbraw/zinc/42/81/04/385428104.db2.gz RQYUVELDEMKLJB-KXUCPTDWSA-N 2 0 205.305 1.513 10 0 BDAERP CC[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)OC ZINC000308492672 386426567 /nfs/dbraw/zinc/42/65/67/386426567.db2.gz AKGOWLSFBBVFMC-WDEREUQCSA-N 2 0 200.326 1.143 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000519693568 386529258 /nfs/dbraw/zinc/52/92/58/386529258.db2.gz QUFFYZURDRWWOJ-XQQFMLRXSA-N 2 0 226.364 1.533 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000647971253 386510911 /nfs/dbraw/zinc/51/09/11/386510911.db2.gz ZZPQGPAXYNTFFL-MELADBBJSA-N 2 0 240.391 1.421 10 0 BDAERP CCSCC[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336643675 386579594 /nfs/dbraw/zinc/57/95/94/386579594.db2.gz BBRGTIVWVRHERF-GFCCVEGCSA-N 2 0 246.420 1.176 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@@H]([NH3+])C1 ZINC000307587566 386740399 /nfs/dbraw/zinc/74/03/99/386740399.db2.gz UNPIRRPEEONHLY-HLTSFMKQSA-N 2 0 200.351 1.350 10 0 BDAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC=C(Br)C2)C1 ZINC000575451483 386800084 /nfs/dbraw/zinc/80/00/84/386800084.db2.gz FATUMCOIPWYBPY-WAAGHKOSSA-N 2 0 245.164 1.708 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1cc2c(cc1Cl)OCO2 ZINC000575437872 387111446 /nfs/dbraw/zinc/11/14/46/387111446.db2.gz BUZJOHYFSNCSNO-VIFPVBQESA-N 2 0 242.706 1.807 10 0 BDAERP Nc1ccc(Cl)cc1[C@@H]([NH3+])CCC[NH3+] ZINC000575439117 387121242 /nfs/dbraw/zinc/12/12/42/387121242.db2.gz PFVOTFIEDXNKED-VIFPVBQESA-N 2 0 213.712 1.661 10 0 BDAERP [NH3+]CCCC[C@@H]([NH3+])c1cccc2c1OCO2 ZINC000575439439 387123412 /nfs/dbraw/zinc/12/34/12/387123412.db2.gz LGIRKJXMJPIZCL-SNVBAGLBSA-N 2 0 222.288 1.544 10 0 BDAERP COc1cc([C@@H]([NH3+])CCC[NH3+])cc(Cl)c1O ZINC000575438306 387129771 /nfs/dbraw/zinc/12/97/71/387129771.db2.gz IIYHFGQDBHUKQH-VIFPVBQESA-N 2 0 244.722 1.793 10 0 BDAERP COc1cc(F)ccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440471 387135188 /nfs/dbraw/zinc/13/51/88/387135188.db2.gz XIIQQAHVNJUQTN-NSHDSACASA-N 2 0 226.295 1.963 10 0 BDAERP Cc1cnc(CN(C)[C@@H]2CCC[NH2+]CC2)o1 ZINC000336309221 387137796 /nfs/dbraw/zinc/13/77/96/387137796.db2.gz GRKIQWXQZKIXEC-LLVKDONJSA-N 2 0 223.320 1.557 10 0 BDAERP C[C@H]([NH2+]CCCOC(F)F)[C@H]1CCC[NH2+]C1 ZINC000643488130 387361188 /nfs/dbraw/zinc/36/11/88/387361188.db2.gz HJHQVTCGPWTYSL-UWVGGRQHSA-N 2 0 236.306 1.593 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]1C[NH+]1CCSCC1 ZINC000053864450 387517362 /nfs/dbraw/zinc/51/73/62/387517362.db2.gz BRGSVQIQYYJGBQ-VHSXEESVSA-N 2 0 200.351 1.163 10 0 BDAERP CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643472667 387484039 /nfs/dbraw/zinc/48/40/39/387484039.db2.gz TXNMMCAGAVSNQP-WOPDTQHZSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@H](COCc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422795535 387695868 /nfs/dbraw/zinc/69/58/68/387695868.db2.gz VWZYBBOFKNPUQY-CHWSQXEVSA-N 2 0 248.370 1.789 10 0 BDAERP CC[N@@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422743032 387689055 /nfs/dbraw/zinc/68/90/55/387689055.db2.gz STODBIXONWTGDV-WJLOJVBCSA-N 2 0 237.391 1.343 10 0 BDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCF)CC1 ZINC000128522775 387750901 /nfs/dbraw/zinc/75/09/01/387750901.db2.gz MHMIYYZRKYKYQM-GFCCVEGCSA-N 2 0 246.370 1.371 10 0 BDAERP OCC[C@H]([NH2+]C1CC[NH2+]CC1)C1CCCCC1 ZINC000423001238 387804786 /nfs/dbraw/zinc/80/47/86/387804786.db2.gz DIGWMRNZYQICNC-AWEZNQCLSA-N 2 0 240.391 1.659 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000643459713 387849571 /nfs/dbraw/zinc/84/95/71/387849571.db2.gz USYGYBLMEVSLLE-XQQFMLRXSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423102672 387888694 /nfs/dbraw/zinc/88/86/94/387888694.db2.gz OLKBTHXLBLRUHC-NDKCEZKHSA-N 2 0 240.391 1.920 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C12CCC2 ZINC000423171305 387957989 /nfs/dbraw/zinc/95/79/89/387957989.db2.gz OBAQOIRKXZPSQC-RWMBFGLXSA-N 2 0 238.375 1.676 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000423215443 387998247 /nfs/dbraw/zinc/99/82/47/387998247.db2.gz NWCNTHXOSBNGDE-SYBDTXHTSA-N 2 0 208.349 1.904 10 0 BDAERP C[C@H]([NH2+]CCc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000400535252 388012061 /nfs/dbraw/zinc/01/20/61/388012061.db2.gz SYAAGUOTFTUITH-WCQYABFASA-N 2 0 236.334 1.956 10 0 BDAERP [NH3+]C1CC([NH2+][C@@H]2CCCSCC2)C1 ZINC000575519087 388356169 /nfs/dbraw/zinc/35/61/69/388356169.db2.gz ZVBSIZKSABESJT-HWOCKDDLSA-N 2 0 200.351 1.351 10 0 BDAERP Cc1[nH+]ccc(NCCOCCC[NH3+])c1Cl ZINC000630537174 388461888 /nfs/dbraw/zinc/46/18/88/388461888.db2.gz JGGOPAFHAUYYQF-UHFFFAOYSA-N 2 0 243.738 1.243 10 0 BDAERP CO[C@@H](C[NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000362975614 388562931 /nfs/dbraw/zinc/56/29/31/388562931.db2.gz GKVGDLUGDMUZLY-MCIGGMRASA-N 2 0 214.353 1.517 10 0 BDAERP CCC[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OCC ZINC000530212326 388627580 /nfs/dbraw/zinc/62/75/80/388627580.db2.gz QGRYOFIJJHLIGE-OLZOCXBDSA-N 2 0 228.380 1.923 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247074369 388658719 /nfs/dbraw/zinc/65/87/19/388658719.db2.gz OLWBVTNXHCLUPO-RDBSUJKOSA-N 2 0 239.407 1.543 10 0 BDAERP [NH3+][C@H]1C[C@H](C[N@@H+]2CCCSCC2)C1 ZINC000575486452 388871691 /nfs/dbraw/zinc/87/16/91/388871691.db2.gz WNAURNKFJIIBCM-MGCOHNPYSA-N 2 0 200.351 1.163 10 0 BDAERP [NH3+][C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575471504 388850500 /nfs/dbraw/zinc/85/05/00/388850500.db2.gz AJNRCPPSJUFWFV-LSDHHAIUSA-N 2 0 246.354 1.769 10 0 BDAERP C[C@@H](NCC1([NH+](C)C)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400347423 533360135 /nfs/dbraw/zinc/36/01/35/533360135.db2.gz LAAGATNRUQTRIT-CHWSQXEVSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@@H]([NH2+]CCOC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400432963 533397728 /nfs/dbraw/zinc/39/77/28/533397728.db2.gz LSPAABRXRKLFRU-HTQZYQBOSA-N 2 0 226.242 1.110 10 0 BDAERP C[C@@H]([NH2+]CCOC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400515085 533398338 /nfs/dbraw/zinc/39/83/38/533398338.db2.gz KGTBDKLFZVKRSR-VXGBXAGGSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@@H]([NH2+]CCc1ccco1)[C@H]1CC[NH2+]C1 ZINC000400702045 533404984 /nfs/dbraw/zinc/40/49/84/533404984.db2.gz KFOCMDOFALTUPW-MNOVXSKESA-N 2 0 208.305 1.410 10 0 BDAERP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400332652 533501056 /nfs/dbraw/zinc/50/10/56/533501056.db2.gz FERAYDFBSGGPIR-TZMCWYRMSA-N 2 0 248.370 1.825 10 0 BDAERP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000306966885 533548337 /nfs/dbraw/zinc/54/83/37/533548337.db2.gz MCRFFJDVKQIGQN-DBIOUOCHSA-N 2 0 214.378 1.326 10 0 BDAERP CCC[NH+]1CCN(c2ncccc2C[NH3+])CC1 ZINC000022214524 132332722 /nfs/dbraw/zinc/33/27/22/132332722.db2.gz MPDSSNJZSZVSAS-UHFFFAOYSA-N 2 0 234.347 1.072 10 0 BDAERP C[NH+](C)C1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000036190833 132340686 /nfs/dbraw/zinc/34/06/86/132340686.db2.gz VPHADXDHFJJJDX-UHFFFAOYSA-N 2 0 234.347 1.071 10 0 BDAERP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000040602172 132348143 /nfs/dbraw/zinc/34/81/43/132348143.db2.gz NJJJSYJXDWMQJD-NSHDSACASA-N 2 0 205.305 1.517 10 0 BDAERP C[C@@H]([NH3+])c1ccccc1N1CC[NH+](C2CC2)CC1 ZINC000042490520 132352626 /nfs/dbraw/zinc/35/26/26/132352626.db2.gz MZSKYEDQPAXTFB-GFCCVEGCSA-N 2 0 245.370 1.991 10 0 BDAERP CC[C@@H](C)C[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000050425207 132358903 /nfs/dbraw/zinc/35/89/03/132358903.db2.gz VFGINMNZGIYJII-GFCCVEGCSA-N 2 0 248.374 1.832 10 0 BDAERP C[NH2+]Cc1cccc(N2CC[NH+](C(C)C)CC2)n1 ZINC000051446047 132361258 /nfs/dbraw/zinc/36/12/58/132361258.db2.gz NRPSBGLHPHRAPC-UHFFFAOYSA-N 2 0 248.374 1.331 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])CN1c1cc[nH+]cc1 ZINC000053704323 132363245 /nfs/dbraw/zinc/36/32/45/132363245.db2.gz FIMGAULHRMOBKA-GHMZBOCLSA-N 2 0 205.305 1.645 10 0 BDAERP CC(C)[C@H](CCO)[NH2+]CCC[NH+]1CCCC1 ZINC000227012568 134373511 /nfs/dbraw/zinc/37/35/11/134373511.db2.gz QCFROPILPPOYCF-ZDUSSCGKSA-N 2 0 228.380 1.469 10 0 BDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+](CC)CC ZINC000251736286 135077109 /nfs/dbraw/zinc/07/71/09/135077109.db2.gz FYDBLLLSVHWVDL-QJPTWQEYSA-N 2 0 243.395 1.206 10 0 BDAERP CCCCOCC[NH2+]C1CCC([NH3+])CC1 ZINC000086729114 135095381 /nfs/dbraw/zinc/09/53/81/135095381.db2.gz JLNNOVBHXBXWSV-UHFFFAOYSA-N 2 0 214.353 1.663 10 0 BDAERP CC(C)COCCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534356 135166553 /nfs/dbraw/zinc/16/65/53/135166553.db2.gz QBMADDWLZPWIDQ-STQMWFEESA-N 2 0 228.380 1.718 10 0 BDAERP CC(C)CN(Cc1noc(CN)n1)C(C)C ZINC000261534309 135166959 /nfs/dbraw/zinc/16/69/59/135166959.db2.gz PTIOFUUAUSMQJF-UHFFFAOYSA-N 2 0 226.324 1.395 10 0 BDAERP CCN(Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000261540602 135180001 /nfs/dbraw/zinc/18/00/01/135180001.db2.gz GMXIMDIDLMALRQ-CYBMUJFWSA-N 2 0 234.347 1.441 10 0 BDAERP OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261599024 135237422 /nfs/dbraw/zinc/23/74/22/135237422.db2.gz ZRXLDCMZQYVEOU-AVGNSLFASA-N 2 0 226.364 1.269 10 0 BDAERP C[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000261662651 135243831 /nfs/dbraw/zinc/24/38/31/135243831.db2.gz ABQFCKXANUERQK-LLVKDONJSA-N 2 0 249.358 1.102 10 0 BDAERP Cc1ccn(C2CCN(CC(C)(C)[NH3+])CC2)n1 ZINC000261861140 135258171 /nfs/dbraw/zinc/25/81/71/135258171.db2.gz UIKYLCQPETXFMK-UHFFFAOYSA-N 2 0 236.363 1.566 10 0 BDAERP [NH3+]CCCCCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262566451 135306425 /nfs/dbraw/zinc/30/64/25/135306425.db2.gz DLDFHDBRMKDFQH-RYUDHWBXSA-N 2 0 241.379 1.139 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)[C@@H](C)c1ccccc1 ZINC000263261332 135343304 /nfs/dbraw/zinc/34/33/04/135343304.db2.gz QXWUINBXPYMCDK-PAPYEOQZSA-N 2 0 248.370 1.349 10 0 BDAERP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000348185635 136044562 /nfs/dbraw/zinc/04/45/62/136044562.db2.gz BWICRPDCUDVSFF-SRVKXCTJSA-N 2 0 212.337 1.238 10 0 BDAERP C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000348185634 136044758 /nfs/dbraw/zinc/04/47/58/136044758.db2.gz BWICRPDCUDVSFF-SDDRHHMPSA-N 2 0 212.337 1.238 10 0 BDAERP CC(C)[NH2+]CCOc1ccc(C[NH3+])cc1 ZINC000041217941 167109834 /nfs/dbraw/zinc/10/98/34/167109834.db2.gz ZJZASUHOFVYKBD-UHFFFAOYSA-N 2 0 208.305 1.522 10 0 BDAERP Cc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000258879655 322879335 /nfs/dbraw/zinc/87/93/35/322879335.db2.gz KJCDZXNVMWNWJV-CYBMUJFWSA-N 2 0 204.317 1.694 10 0 BDAERP C[C@H]([NH3+])CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809201 410894098 /nfs/dbraw/zinc/89/40/98/410894098.db2.gz WAYNNTYYIRGAJX-AAEUAGOBSA-N 2 0 249.358 1.143 10 0 BDAERP CC(C)C[NH2+]CCCC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000104132400 167003655 /nfs/dbraw/zinc/00/36/55/167003655.db2.gz WZXNHWZXDWPDQU-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)C[NH2+]CC[C@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000104137341 167005192 /nfs/dbraw/zinc/00/51/92/167005192.db2.gz SDOQRCJYQMPGAU-KBPBESRZSA-N 2 0 241.423 1.647 10 0 BDAERP CC(C)[NH2+]CCN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000127729308 167106154 /nfs/dbraw/zinc/10/61/54/167106154.db2.gz YXBQBUFCQYTAGQ-RYUDHWBXSA-N 2 0 213.369 1.009 10 0 BDAERP CC(C)[NH2+]C[C@H](C)N1CCC[N@H+](C)CC1 ZINC000052424089 167112888 /nfs/dbraw/zinc/11/28/88/167112888.db2.gz ZXYXCOBFEXEGIW-LBPRGKRZSA-N 2 0 213.369 1.010 10 0 BDAERP COCC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000656199907 411204000 /nfs/dbraw/zinc/20/40/00/411204000.db2.gz GJGLZJHTIXKAOR-MNOVXSKESA-N 2 0 212.337 1.001 10 0 BDAERP CC1CC[NH+](CCN2CCC[NH2+]CC2)CC1 ZINC000061274899 168180013 /nfs/dbraw/zinc/18/00/13/168180013.db2.gz CNTKKSWACRQPTQ-UHFFFAOYSA-N 2 0 225.380 1.014 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000307274833 411469438 /nfs/dbraw/zinc/46/94/38/411469438.db2.gz OVFNDRAZWCQRKY-LNFKQOIKSA-N 2 0 214.378 1.468 10 0 BDAERP CC[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2)C1 ZINC000037484460 170009791 /nfs/dbraw/zinc/00/97/91/170009791.db2.gz WALQZMUINKBDNS-NSHDSACASA-N 2 0 205.305 1.835 10 0 BDAERP CC[N@@H+]1CC[C@H](C[NH2+]CCn2ccnc2C)C1 ZINC000049330179 170015789 /nfs/dbraw/zinc/01/57/89/170015789.db2.gz DLVDKBDZMWSVJV-CYBMUJFWSA-N 2 0 236.363 1.123 10 0 BDAERP CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000041045890 170108388 /nfs/dbraw/zinc/10/83/88/170108388.db2.gz BIWGNXSBDMBSBR-LLVKDONJSA-N 2 0 212.337 1.097 10 0 BDAERP CC[NH2+]CCC[NH2+][C@H]1C=C[C@H]([NH3+])CCC1 ZINC000029388515 170112787 /nfs/dbraw/zinc/11/27/87/170112787.db2.gz INPYDNOQRCNLPS-VXGBXAGGSA-N 3 0 211.353 1.012 10 0 BDAERP CC[NH2+]CCNCCC[NH+]1CCCCCC1 ZINC000049474464 170115810 /nfs/dbraw/zinc/11/58/10/170115810.db2.gz AOEIKOUMOVMVHX-UHFFFAOYSA-N 2 0 227.396 1.452 10 0 BDAERP CC[NH2+]CCc1nc(CC[NH+](CC)CC)no1 ZINC000051784383 170117816 /nfs/dbraw/zinc/11/78/16/170117816.db2.gz SQRUZQAHDCDCRQ-UHFFFAOYSA-N 2 0 240.351 1.106 10 0 BDAERP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)Cn2ccnc2)C1 ZINC000053031994 170119992 /nfs/dbraw/zinc/11/99/92/170119992.db2.gz NOMPMXMQCJAMGM-STQMWFEESA-N 2 0 236.363 1.203 10 0 BDAERP CC[NH2+]C[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000053031284 170120017 /nfs/dbraw/zinc/12/00/17/170120017.db2.gz CFBJVFNBPHUQQR-NSHDSACASA-N 2 0 212.337 1.097 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@H]1CN1CCC[N@H+](C)CC1 ZINC000053863879 170151180 /nfs/dbraw/zinc/15/11/80/170151180.db2.gz LZTIQRWRVUESEI-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C[C@@H]1C ZINC000049710860 170152126 /nfs/dbraw/zinc/15/21/26/170152126.db2.gz DLKZEZVRCBSNFZ-GXTWGEPZSA-N 2 0 239.407 1.401 10 0 BDAERP CC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810843 170165773 /nfs/dbraw/zinc/16/57/73/170165773.db2.gz UQPBQQAIGFDXCE-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C[C@@H]1C ZINC000049710863 170166381 /nfs/dbraw/zinc/16/63/81/170166381.db2.gz DLKZEZVRCBSNFZ-JSGCOSHPSA-N 2 0 239.407 1.401 10 0 BDAERP CCOC(=O)CCN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565360 170209980 /nfs/dbraw/zinc/20/99/80/170209980.db2.gz GQSQULJNPWXTOZ-NWDGAFQWSA-N 2 0 240.347 1.156 10 0 BDAERP CCOC(=O)[C@@H](C)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104143647 170245672 /nfs/dbraw/zinc/24/56/72/170245672.db2.gz SQZXDIBNXJHCGT-QWRGUYRKSA-N 2 0 242.363 1.245 10 0 BDAERP CCOC(=O)[C@@H](C)C[NH2+]CCC[NH+]1CCCC1 ZINC000062072601 170246156 /nfs/dbraw/zinc/24/61/56/170246156.db2.gz RDYDYDCWQMUVIJ-LBPRGKRZSA-N 2 0 242.363 1.261 10 0 BDAERP CCOC1CC[NH+](Cc2cc(C[NH3+])no2)CC1 ZINC000052484033 170332569 /nfs/dbraw/zinc/33/25/69/170332569.db2.gz FZSUQSXSDOIUEJ-UHFFFAOYSA-N 2 0 239.319 1.134 10 0 BDAERP CCOC1CC[NH+]([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000040678527 170333025 /nfs/dbraw/zinc/33/30/25/170333025.db2.gz IPIBOGPMRXLMMQ-DGCLKSJQSA-N 2 0 226.364 1.615 10 0 BDAERP CC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)CC[C@H](C)[NH2+]1 ZINC000061148139 171010770 /nfs/dbraw/zinc/01/07/70/171010770.db2.gz UXIYICVDMPGQNV-MELADBBJSA-N 2 0 240.391 1.875 10 0 BDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCC[C@H](O)C2)C1 ZINC000036128402 171055408 /nfs/dbraw/zinc/05/54/08/171055408.db2.gz PPVWSCQXESKCAN-YIYPIFLZSA-N 2 0 240.391 1.597 10 0 BDAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](N2CC[C@H]([NH+](C)C)C2)C1 ZINC000062964816 171055805 /nfs/dbraw/zinc/05/58/05/171055805.db2.gz XJVMLQXCCYRLRP-ZOBORPQBSA-N 2 0 239.407 1.528 10 0 BDAERP CC[C@@H]1C[NH2+][C@H](C)CN1CCC[NH+](C)C ZINC000083085352 171101980 /nfs/dbraw/zinc/10/19/80/171101980.db2.gz UVFHEMJWXDBUNV-VXGBXAGGSA-N 2 0 213.369 1.010 10 0 BDAERP CC[C@@H]1COCC[N@@H+]1CC1CCC([NH3+])CC1 ZINC000037482509 171106140 /nfs/dbraw/zinc/10/61/40/171106140.db2.gz UPLBNJFEQZZIHR-WXRRBKDZSA-N 2 0 226.364 1.615 10 0 BDAERP CC[C@@H]1COCC[N@@H+]1C1CCC([NH3+])CC1 ZINC000055144394 171107026 /nfs/dbraw/zinc/10/70/26/171107026.db2.gz YKTUUTDLBJMSCW-MOENNCHZSA-N 2 0 212.337 1.367 10 0 BDAERP CC[C@@H]1CO[C@H](C)CN1C1(C[NH3+])CCCC1 ZINC000042450338 171112827 /nfs/dbraw/zinc/11/28/27/171112827.db2.gz NDSGXIZMGIADOD-VXGBXAGGSA-N 2 0 226.364 1.757 10 0 BDAERP CC[C@@](C)(C[NH3+])CN1CC[NH+](CC2CC2)CC1 ZINC000051285855 171166488 /nfs/dbraw/zinc/16/64/88/171166488.db2.gz SFFLIRJLSONSCH-AWEZNQCLSA-N 2 0 239.407 1.389 10 0 BDAERP CC[C@H](C)[NH+]1CCN([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055065355 171319475 /nfs/dbraw/zinc/31/94/75/171319475.db2.gz VREDHVDEEULBQZ-IHRRRGAJSA-N 2 0 239.407 1.672 10 0 BDAERP CC[C@H](C)[NH2+]C[C@H](C)N1CC[N@H+](CC)[C@H](C)C1 ZINC000104136227 171341667 /nfs/dbraw/zinc/34/16/67/171341667.db2.gz GUHZONHIUUYLHR-MELADBBJSA-N 2 0 241.423 1.789 10 0 BDAERP CC[C@H](C)[C@@H](C[NH3+])N(C)C1CC[NH+](CC)CC1 ZINC000042615580 171369066 /nfs/dbraw/zinc/36/90/66/171369066.db2.gz AOGMBRYACZLKNP-GXTWGEPZSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C)[C@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064299 171392186 /nfs/dbraw/zinc/39/21/86/171392186.db2.gz KRIZAIQDGLXTLP-IHRRRGAJSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220375 171395866 /nfs/dbraw/zinc/39/58/66/171395866.db2.gz DSVMDWNROXGCHB-SRVKXCTJSA-N 2 0 243.395 1.062 10 0 BDAERP CC[C@H]([NH3+])[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000036191835 171487923 /nfs/dbraw/zinc/48/79/23/171487923.db2.gz CAIJPXDYUBDSPP-PWSUYJOCSA-N 2 0 213.369 1.138 10 0 BDAERP c1cc(CC[NH2+][C@@H]2CCC[NH2+]CC2)co1 ZINC000665261833 412203797 /nfs/dbraw/zinc/20/37/97/412203797.db2.gz MNRJXEFUWCRIMS-GFCCVEGCSA-N 2 0 208.305 1.554 10 0 BDAERP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1(F)F ZINC000665265011 412208433 /nfs/dbraw/zinc/20/84/33/412208433.db2.gz NTZTWAUQVOVTJO-ZJUUUORDSA-N 2 0 218.291 1.763 10 0 BDAERP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623405 412246411 /nfs/dbraw/zinc/24/64/11/412246411.db2.gz XRVDLKJHCYOAEI-GHMZBOCLSA-N 2 0 241.379 1.103 10 0 BDAERP CCn1nc(C)c([C@H](C)[NH2+]CCC[NH3+])c1C ZINC000045171481 172248723 /nfs/dbraw/zinc/24/87/23/172248723.db2.gz KASDWUXYCVGGAI-VIFPVBQESA-N 2 0 224.352 1.519 10 0 BDAERP C[NH+](C)C1CCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000036191942 172407040 /nfs/dbraw/zinc/40/70/40/172407040.db2.gz WREIEDLOTFVNFX-UONOGXRCSA-N 2 0 239.407 1.672 10 0 BDAERP C[NH+](C)C1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000036192444 172407772 /nfs/dbraw/zinc/40/77/72/172407772.db2.gz YJEYYBDXOKHLLK-UHFFFAOYSA-N 2 0 239.407 1.674 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CNc1cc(N)cc[nH+]1 ZINC000044563511 173010110 /nfs/dbraw/zinc/01/01/10/173010110.db2.gz ROJQRRWBUWKPJW-NSHDSACASA-N 2 0 220.320 1.560 10 0 BDAERP C[N@@H+]1CCCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000020217625 173016660 /nfs/dbraw/zinc/01/66/60/173016660.db2.gz UUMYCBSJLJFTSM-UHFFFAOYSA-N 2 0 232.331 1.113 10 0 BDAERP C[NH+]1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000035619403 173084652 /nfs/dbraw/zinc/08/46/52/173084652.db2.gz KYUKGBMNKPAVKF-AWEZNQCLSA-N 2 0 233.359 1.108 10 0 BDAERP C[NH+]1CCN(C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020071647 173084808 /nfs/dbraw/zinc/08/48/08/173084808.db2.gz GUGFNCQPNWDBLN-MCIONIFRSA-N 2 0 237.391 1.155 10 0 BDAERP CN(Cc1ccc(CO)o1)C[C@@H]1CC[N@H+](C)C1 ZINC000120991379 173112048 /nfs/dbraw/zinc/11/20/48/173112048.db2.gz YXPURGVNFWPXKP-LLVKDONJSA-N 2 0 238.331 1.155 10 0 BDAERP CN1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCC2=O)C1 ZINC000071191193 173112234 /nfs/dbraw/zinc/11/22/34/173112234.db2.gz WIXUCZJEYHKIAN-OLZOCXBDSA-N 2 0 238.375 1.629 10 0 BDAERP C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2N)C1 ZINC000037484615 173147297 /nfs/dbraw/zinc/14/72/97/173147297.db2.gz XMIUIGQKVLMKGD-SECBINFHSA-N 2 0 206.293 1.027 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000037484768 173147455 /nfs/dbraw/zinc/14/74/55/173147455.db2.gz SBKAXGIFUCZLNB-QWHCGFSZSA-N 2 0 208.349 1.884 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037484575 173147620 /nfs/dbraw/zinc/14/76/20/173147620.db2.gz LWBFILVCHPBCRX-GFCCVEGCSA-N 2 0 222.307 1.867 10 0 BDAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000054629130 173323646 /nfs/dbraw/zinc/32/36/46/173323646.db2.gz LWAURCWQZDNENR-ARQSVGKCSA-N 2 0 249.402 1.438 10 0 BDAERP C[NH2+]CCC1C[NH+](Cc2ccccc2)C1 ZINC000095075968 173343240 /nfs/dbraw/zinc/34/32/40/173343240.db2.gz DKBRFAHNFPIVMU-UHFFFAOYSA-N 2 0 204.317 1.728 10 0 BDAERP C[NH2+]CC[C@H](O)C[N@H+](C)C1CCCCCC1 ZINC000077342805 173358978 /nfs/dbraw/zinc/35/89/78/173358978.db2.gz PDEPMNFREIJGNY-ZDUSSCGKSA-N 2 0 228.380 1.611 10 0 BDAERP C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000011891990 173381515 /nfs/dbraw/zinc/38/15/15/173381515.db2.gz DKCWGWSEUSAELY-GFCCVEGCSA-N 2 0 236.334 1.910 10 0 BDAERP C[NH2+]Cc1cc(C[NH+]2CCC(C)CC2)on1 ZINC000052376994 173386706 /nfs/dbraw/zinc/38/67/06/173386706.db2.gz BSSRKQVKIRKEGA-UHFFFAOYSA-N 2 0 223.320 1.626 10 0 BDAERP C[NH2+]Cc1ccc(OC)cc1OCC[NH+](C)C ZINC000019777057 173389211 /nfs/dbraw/zinc/38/92/11/173389211.db2.gz IGNWOQRMEPXKAJ-UHFFFAOYSA-N 2 0 238.331 1.355 10 0 BDAERP C[NH2+]Cc1cccnc1N(C)CCC[NH+](C)C ZINC000104198350 173390791 /nfs/dbraw/zinc/39/07/91/173390791.db2.gz NJCPXLZUVZYEBM-UHFFFAOYSA-N 2 0 236.363 1.189 10 0 BDAERP C[NH2+][C@H]1CCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653615 173462053 /nfs/dbraw/zinc/46/20/53/173462053.db2.gz CFJLJLNPALMRAL-MCIONIFRSA-N 2 0 239.407 1.401 10 0 BDAERP COCC[N@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052572886 174281396 /nfs/dbraw/zinc/28/13/96/174281396.db2.gz BRJSDILDNXXRKK-UHFFFAOYSA-N 2 0 240.347 1.856 10 0 BDAERP COCC[N@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+] ZINC000042517608 174285635 /nfs/dbraw/zinc/28/56/35/174285635.db2.gz WYMOZTQVCJPNFN-MBNYWOFBSA-N 2 0 240.391 1.861 10 0 BDAERP COc1ccc(C[N@H+](C)C[C@@H](C)C[NH3+])cc1 ZINC000042441456 175095767 /nfs/dbraw/zinc/09/57/67/175095767.db2.gz FIXAPPGPLDARJJ-NSHDSACASA-N 2 0 222.332 1.722 10 0 BDAERP COc1ccc([C@@H](C[NH3+])C[NH+](C)C)cc1OC ZINC000041280532 175178653 /nfs/dbraw/zinc/17/86/53/175178653.db2.gz YODPJNBLJBMRDY-NSHDSACASA-N 2 0 238.331 1.308 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C(C)(C)O ZINC000564823378 322931406 /nfs/dbraw/zinc/93/14/06/322931406.db2.gz OWFHKBLJBACOTL-WOPDTQHZSA-N 2 0 228.380 1.514 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052378886 176072991 /nfs/dbraw/zinc/07/29/91/176072991.db2.gz GJTRXHJEWFIWNN-SECBINFHSA-N 2 0 209.293 1.508 10 0 BDAERP C[C@@H]1CCC[N@H+](CCOC2CC[NH2+]CC2)CC1 ZINC000104389319 176097560 /nfs/dbraw/zinc/09/75/60/176097560.db2.gz GSVDIHAJYUAOSY-CYBMUJFWSA-N 2 0 240.391 1.877 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])no2)C1 ZINC000052381444 176100017 /nfs/dbraw/zinc/10/00/17/176100017.db2.gz FRBIQBISEGUKKP-SECBINFHSA-N 2 0 209.293 1.365 10 0 BDAERP C[C@@H]1CCC[N@@H+]1CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052375927 176108223 /nfs/dbraw/zinc/10/82/23/176108223.db2.gz QAEZUSCQVFNYMW-LLVKDONJSA-N 2 0 249.362 1.014 10 0 BDAERP C[C@@H]1C[NH2+]CCCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000049667044 176324131 /nfs/dbraw/zinc/32/41/31/176324131.db2.gz PDVLQKZVLZMGIH-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@@H]1C[NH2+]CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000044510690 176326111 /nfs/dbraw/zinc/32/61/11/176326111.db2.gz HITLIDVWUOEWGX-NEPJUHHUSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@H](c1ccccn1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095068235 177042871 /nfs/dbraw/zinc/04/28/71/177042871.db2.gz RQWNGGPHIKFGSX-VXGBXAGGSA-N 2 0 219.332 1.684 10 0 BDAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000051732090 177159763 /nfs/dbraw/zinc/15/97/63/177159763.db2.gz JYJZSNLPKNKMBP-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1CC[C@H](C[NH3+])CN1CCC[NH+]1CCCC1 ZINC000042427526 177200985 /nfs/dbraw/zinc/20/09/85/177200985.db2.gz DZRMQCFSBVSNPN-UONOGXRCSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CC[N@@H+]1C ZINC000104135927 177262499 /nfs/dbraw/zinc/26/24/99/177262499.db2.gz YTWYTDQXOQKDHM-NSHDSACASA-N 2 0 246.358 1.107 10 0 BDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH]cn1 ZINC000093437446 177280332 /nfs/dbraw/zinc/28/03/32/177280332.db2.gz QWCLIKYQQOGTGU-CMPLNLGQSA-N 2 0 220.320 1.078 10 0 BDAERP C[C@H]1CSC(NC[C@H]2CCCC[N@@H+]2C)=[NH+]1 ZINC000044563820 177302624 /nfs/dbraw/zinc/30/26/24/177302624.db2.gz IKZPIZBEQFMYEH-VHSXEESVSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000400572025 224837728 /nfs/dbraw/zinc/83/77/28/224837728.db2.gz NYEYRNNRSLKPRV-GARJFASQSA-N 2 0 214.378 1.470 10 0 BDAERP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400334857 226341161 /nfs/dbraw/zinc/34/11/61/226341161.db2.gz FQWSERZPJKDPBH-CFVMTHIKSA-N 2 0 248.370 1.178 10 0 BDAERP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000400509979 226345193 /nfs/dbraw/zinc/34/51/93/226345193.db2.gz LGSWYHXZDPBWRU-UBHSHLNASA-N 2 0 246.354 1.578 10 0 BDAERP CSCCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400599175 226347875 /nfs/dbraw/zinc/34/78/75/226347875.db2.gz WIFWJFKXPKFGPY-MNOVXSKESA-N 2 0 216.394 1.717 10 0 BDAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400737265 226350869 /nfs/dbraw/zinc/35/08/69/226350869.db2.gz RYSGSXKJARBVCJ-KWQFWETISA-N 2 0 239.388 1.848 10 0 BDAERP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000324619846 262792743 /nfs/dbraw/zinc/79/27/43/262792743.db2.gz PLDOJZMXNANDOL-MNOVXSKESA-N 2 0 214.353 1.125 10 0 BDAERP CCCN(CC[NH+](C)C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136447383 487736138 /nfs/dbraw/zinc/73/61/38/487736138.db2.gz BQDJQVJLWMLBGC-GFCCVEGCSA-N 2 0 243.395 1.160 10 0 BDAERP COCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000666774679 487878585 /nfs/dbraw/zinc/87/85/85/487878585.db2.gz RHBSJFQIIJULFY-SDDRHHMPSA-N 2 0 214.353 1.389 10 0 BDAERP c1cc2cnccc2c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000666845624 487889161 /nfs/dbraw/zinc/88/91/61/487889161.db2.gz ZTFZGENNXLOTHP-LBPRGKRZSA-N 2 0 241.338 1.934 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958476 323035204 /nfs/dbraw/zinc/03/52/04/323035204.db2.gz JUTDDTHQMVHTPY-MELADBBJSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H](CO)CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562959453 323035307 /nfs/dbraw/zinc/03/53/07/323035307.db2.gz QFKGYGCSPYZGQY-RWMBFGLXSA-N 2 0 228.380 1.373 10 0 BDAERP CSC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000570153604 323051645 /nfs/dbraw/zinc/05/16/45/323051645.db2.gz NBXBMIJNXUNIBC-AXFHLTTASA-N 2 0 216.394 1.716 10 0 BDAERP CC(C)(C)C[C@H](CO)[NH2+]C1CCC([NH3+])CC1 ZINC000393462575 323097598 /nfs/dbraw/zinc/09/75/98/323097598.db2.gz BSAKHQRIAWFDAE-HTAVTVPLSA-N 2 0 228.380 1.643 10 0 BDAERP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccn1 ZINC000571550708 323148118 /nfs/dbraw/zinc/14/81/18/323148118.db2.gz RJGVZFQOXOOQKQ-DGCLKSJQSA-N 2 0 249.358 1.568 10 0 BDAERP C[C@H]([NH2+]CC1CC=CC1)[C@H]1CCC[NH2+]C1 ZINC000530215894 323216906 /nfs/dbraw/zinc/21/69/06/323216906.db2.gz KBHWSSGOBSKIAR-AAEUAGOBSA-N 2 0 208.349 1.930 10 0 BDAERP C[NH+]1CCC(CC[NH2+]CC2CCOCC2)CC1 ZINC000122431715 324044125 /nfs/dbraw/zinc/04/41/25/324044125.db2.gz NZUCRTMOPUXVIE-UHFFFAOYSA-N 2 0 240.391 1.735 10 0 BDAERP Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000530217222 324533987 /nfs/dbraw/zinc/53/39/87/324533987.db2.gz AHDBMHQOEYSORO-AAEUAGOBSA-N 2 0 219.332 1.478 10 0 BDAERP C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564824416 325808797 /nfs/dbraw/zinc/80/87/97/325808797.db2.gz NAGPEIMCRHBBGC-ZIAGYGMSSA-N 2 0 239.407 1.450 10 0 BDAERP CC[NH+](CC)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089603 325992900 /nfs/dbraw/zinc/99/29/00/325992900.db2.gz VOOCMBUFWYKNQI-OLZOCXBDSA-N 2 0 227.396 1.306 10 0 BDAERP Cc1cccnc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566732278 326077346 /nfs/dbraw/zinc/07/73/46/326077346.db2.gz VNQYILXNIAQYGF-KBPBESRZSA-N 2 0 247.386 1.910 10 0 BDAERP Cc1cccnc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566732280 326077361 /nfs/dbraw/zinc/07/73/61/326077361.db2.gz VNQYILXNIAQYGF-UONOGXRCSA-N 2 0 247.386 1.910 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000569228114 326396125 /nfs/dbraw/zinc/39/61/25/326396125.db2.gz DOPXBHVXYHATOM-DGAVXFQQSA-N 2 0 240.391 1.515 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000569228113 326396342 /nfs/dbraw/zinc/39/63/42/326396342.db2.gz DOPXBHVXYHATOM-CRWXNKLISA-N 2 0 240.391 1.515 10 0 BDAERP Cc1nc(CN(C)[C@@H]2CCC[NH2+]CC2)co1 ZINC000310247301 488147642 /nfs/dbraw/zinc/14/76/42/488147642.db2.gz JPPSTJHQACYRHR-GFCCVEGCSA-N 2 0 223.320 1.557 10 0 BDAERP c1ccc2c(c1)C[C@@H]2C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090978324 491130312 /nfs/dbraw/zinc/13/03/12/491130312.db2.gz GUXLWIUWISZRMI-MGPQQGTHSA-N 2 0 228.339 1.478 10 0 BDAERP C[C@@H]1C[C@H]1[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757124145 582499145 /nfs/dbraw/zinc/49/91/45/582499145.db2.gz BYFROMSCBQYATD-LOWDOPEQSA-N 2 0 208.349 1.859 10 0 BDAERP C[C@H](F)CN1CCC[C@]12CCC[NH2+]C2 ZINC000757124891 582499745 /nfs/dbraw/zinc/49/97/45/582499745.db2.gz CLEGSSOTUQATHQ-QWRGUYRKSA-N 2 0 200.301 1.562 10 0 BDAERP COCCC[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757125474 582500213 /nfs/dbraw/zinc/50/02/13/582500213.db2.gz DVLCYWIMVUZCGQ-CHWSQXEVSA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@]12CCCN2CC[NH+](C)C ZINC000757134176 582510710 /nfs/dbraw/zinc/51/07/10/582510710.db2.gz WLUJOXCGSLKXBQ-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP C[C@H]1OC2(CC[NH+](C3CC3)CC2)[NH2+]CC1(C)C ZINC000757150061 582534300 /nfs/dbraw/zinc/53/43/00/582534300.db2.gz PWNNIUQMHXVXBA-LLVKDONJSA-N 2 0 238.375 1.975 10 0 BDAERP C(C[NH2+]C1CC[NH2+]CC1)COCC1CC1 ZINC000038040762 518391116 /nfs/dbraw/zinc/39/11/16/518391116.db2.gz AZNHIKWNBIIAOW-UHFFFAOYSA-N 2 0 212.337 1.145 10 0 BDAERP CC(C)CCOCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400743780 527759834 /nfs/dbraw/zinc/75/98/34/527759834.db2.gz UENXTLCWNRQVFC-STQMWFEESA-N 2 0 228.380 1.637 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000306708198 527821156 /nfs/dbraw/zinc/82/11/56/527821156.db2.gz SNDIWFIHFNNRCZ-AEJSXWLSSA-N 2 0 214.378 1.597 10 0 BDAERP CCC[N@H+](CC)CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400400786 527978943 /nfs/dbraw/zinc/97/89/43/527978943.db2.gz PTSFGRLWNBWDJY-OLZOCXBDSA-N 2 0 227.396 1.306 10 0 BDAERP CCC[NH+]1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000022167227 534931253 /nfs/dbraw/zinc/93/12/53/534931253.db2.gz JZJVIBHRNHYYQL-UHFFFAOYSA-N 2 0 234.347 1.072 10 0 BDAERP C[C@@H]1C[NH2+]C[C@]12C[N@@H+](C(C)(C)C)CC[C@@H]2O ZINC000725245742 538002498 /nfs/dbraw/zinc/00/24/98/538002498.db2.gz MCCRZRVWRPRLMM-MDZLAQPJSA-N 2 0 226.364 1.077 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757138594 582517894 /nfs/dbraw/zinc/51/78/94/582517894.db2.gz CPIOTGKNFWAKIH-NWDGAFQWSA-N 2 0 224.348 1.587 10 0 BDAERP CC[C@@]1(C)CCO[C@@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757146332 582529888 /nfs/dbraw/zinc/52/98/88/582529888.db2.gz KOOCTDPSEOUFND-QWHCGFSZSA-N 2 0 226.364 1.977 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757151270 582535720 /nfs/dbraw/zinc/53/57/20/582535720.db2.gz QFUWGHHHXQBJDE-LBPRGKRZSA-N 2 0 224.348 1.587 10 0 BDAERP [NH3+][C@@H]1CC[NH2+]C[C@@H]1c1cccc2cc[nH]c21 ZINC000757209035 582560060 /nfs/dbraw/zinc/56/00/60/582560060.db2.gz CZGFNQGGFRBQCS-VXGBXAGGSA-N 2 0 215.300 1.572 10 0 BDAERP C[C@@H]1CC[NH2+]C[C@H]1c1ccc(C[NH3+])cc1 ZINC000757216083 582561015 /nfs/dbraw/zinc/56/10/15/582561015.db2.gz PFBYKGZWLDSQQH-ZWNOBZJWSA-N 2 0 204.317 1.858 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757138728 586427412 /nfs/dbraw/zinc/42/74/12/586427412.db2.gz DFDXIDWDRACKCA-VXGBXAGGSA-N 2 0 224.348 1.587 10 0 BDAERP [NH3+]C[C@H]1CC[NH2+][C@H](c2cccc(C=O)c2)C1 ZINC000757208726 586436977 /nfs/dbraw/zinc/43/69/77/586436977.db2.gz AUSVCPQLAGBAEN-GWCFXTLKSA-N 2 0 218.300 1.499 10 0 BDAERP NC[C@@H]1C[C@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757206938 586437396 /nfs/dbraw/zinc/43/73/96/586437396.db2.gz ATGXSIVKKSHPIO-NEPJUHHUSA-N 2 0 229.327 1.962 10 0 BDAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757210882 586438778 /nfs/dbraw/zinc/43/87/78/586438778.db2.gz HMRPGDSMKINLJG-RBDSIQFVSA-N 3 0 247.386 1.779 10 0 BDAERP Nc1cccc([C@@H]2CC[C@@H](CC[NH3+])C[NH2+]2)c1 ZINC000757211144 586438910 /nfs/dbraw/zinc/43/89/10/586438910.db2.gz GLAPAZJLZXFMLC-GWCFXTLKSA-N 2 0 219.332 1.658 10 0 BDAERP CC(=O)c1ccc([C@@H]2C[C@@H]([NH3+])CC[NH2+]2)cc1 ZINC000757218781 586441697 /nfs/dbraw/zinc/44/16/97/586441697.db2.gz WZZXVZBOSZUXTB-STQMWFEESA-N 2 0 218.300 1.641 10 0 BDAERP C[C@@H]1N[C@@H](c2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000757217723 586441836 /nfs/dbraw/zinc/44/18/36/586441836.db2.gz SDEIQVAUWPLADC-TVYUQYBPSA-N 2 0 219.332 1.286 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]12 ZINC000313607617 634498540 /nfs/dbraw/zinc/49/85/40/634498540.db2.gz HAYKUDNVFPCCQY-BYNSBNAKSA-N 2 0 246.354 1.389 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]([NH3+])CC(F)F ZINC000310308005 635593408 /nfs/dbraw/zinc/59/34/08/635593408.db2.gz SHIOIPLNHGXALU-GHMZBOCLSA-N 2 0 249.349 1.385 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000236261268 631576572 /nfs/dbraw/zinc/57/65/72/631576572.db2.gz KXGUGNAMWNAZEA-XHNCKOQMSA-N 2 0 240.269 1.017 10 0 BDAERP C[C@H](Cc1ccco1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168724293 633148150 /nfs/dbraw/zinc/14/81/50/633148150.db2.gz VRQIYKNWEUTVKI-NEPJUHHUSA-N 2 0 222.332 1.942 10 0 BDAERP C[C@@H](Cc1ccco1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168724197 633148356 /nfs/dbraw/zinc/14/83/56/633148356.db2.gz VRQIYKNWEUTVKI-RYUDHWBXSA-N 2 0 222.332 1.942 10 0 BDAERP CC(C)[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328567158 633777406 /nfs/dbraw/zinc/77/74/06/633777406.db2.gz NNMXLVFFNFDIQX-RJRAAQABSA-N 2 0 208.349 1.617 10 0 BDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000040503548 633816777 /nfs/dbraw/zinc/81/67/77/633816777.db2.gz NJEVRKFDAFLMTC-GFCCVEGCSA-N 2 0 241.379 1.106 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000396706793 634079301 /nfs/dbraw/zinc/07/93/01/634079301.db2.gz JVXVKPUKUGFPEY-WCQYABFASA-N 2 0 225.380 1.153 10 0 BDAERP C[N@@H+]1CCC[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000075906445 641778463 /nfs/dbraw/zinc/77/84/63/641778463.db2.gz CLXSBNLXYMZNIK-CYBMUJFWSA-N 2 0 204.317 1.955 10 0 BDAERP C[C@@H]1C[C@@H](c2ccc(N)c3c2CC[NH2+]C3)CC[NH2+]1 ZINC000757236340 643373528 /nfs/dbraw/zinc/37/35/28/643373528.db2.gz OIZNFBIEDNQGJZ-MNOVXSKESA-N 2 0 245.370 1.770 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1[NH2+]CCC[C@H]1C[NH3+] ZINC000757236365 643374259 /nfs/dbraw/zinc/37/42/59/643374259.db2.gz OJKAUUDKDVIIHE-GXFFZTMASA-N 2 0 219.332 1.577 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc[nH+]c(CO)c1 ZINC000092633820 644664544 /nfs/dbraw/zinc/66/45/44/644664544.db2.gz IXMCMDAVKBCPOI-CQSZACIVSA-N 2 0 249.358 1.494 10 0 BDAERP COC[C@H](C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000721921368 711937088 /nfs/dbraw/zinc/93/70/88/711937088.db2.gz RGOWCOIMAHQSJI-XQQFMLRXSA-N 2 0 228.380 1.432 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2CCOC[C@H]2C)CC1 ZINC000714752951 712497382 /nfs/dbraw/zinc/49/73/82/712497382.db2.gz FWMDVGMOYPTXER-VXGBXAGGSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000716527300 712566918 /nfs/dbraw/zinc/56/69/18/712566918.db2.gz BBKIILRVZIUPJQ-GUDWOMEESA-N 2 0 222.376 1.866 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3ccns3)C[C@@H]12 ZINC000719833990 712824192 /nfs/dbraw/zinc/82/41/92/712824192.db2.gz UPPTZLDTZFQZHU-MVWJERBFSA-N 2 0 237.372 1.355 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000723956716 710734003 /nfs/dbraw/zinc/73/40/03/710734003.db2.gz RCSFBQXVICATTK-SYQHCUMBSA-N 2 0 240.391 1.779 10 0 BDAERP CO[C@H]1C[C@@H](C[N@H+](C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000721925921 710692999 /nfs/dbraw/zinc/69/29/99/710692999.db2.gz BQECTJHTKGLTDD-UPJWGTAASA-N 2 0 226.364 1.485 10 0 BDAERP Cc1nc(C)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000723646507 711529882 /nfs/dbraw/zinc/52/98/82/711529882.db2.gz IISWPGSUJOZWBF-KCJUWKMLSA-N 2 0 223.320 1.318 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000722316858 711735216 /nfs/dbraw/zinc/73/52/16/711735216.db2.gz UXSXKJJUCIBWFP-HZSPNIEDSA-N 2 0 238.375 1.676 10 0 BDAERP [NH3+]C1CCC([NH2+]CCc2ccns2)CC1 ZINC000710028064 712242253 /nfs/dbraw/zinc/24/22/53/712242253.db2.gz RCSHTFHBWOWXBV-UHFFFAOYSA-N 2 0 225.361 1.545 10 0 BDAERP COCC1CC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000713930045 712473852 /nfs/dbraw/zinc/47/38/52/712473852.db2.gz ZDEBDNPSONXBKF-KPFVRQRISA-N 2 0 226.364 1.519 10 0 BDAERP CO[C@H]1C[C@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000714639959 712494809 /nfs/dbraw/zinc/49/48/09/712494809.db2.gz JXSCNSVDUKJACO-FVCCEPFGSA-N 2 0 226.364 1.389 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000714752964 712497247 /nfs/dbraw/zinc/49/72/47/712497247.db2.gz GKRXJSHOUNHGAW-GRYCIOLGSA-N 2 0 226.364 1.756 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H](COC)C2CC2)CC1 ZINC000714752631 712497396 /nfs/dbraw/zinc/49/73/96/712497396.db2.gz DBRNQVCQXGQKTE-GFCCVEGCSA-N 2 0 226.364 1.615 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC1 ZINC000714753188 712497420 /nfs/dbraw/zinc/49/74/20/712497420.db2.gz IBAHQBGDEYFOGP-NWDGAFQWSA-N 2 0 226.364 1.757 10 0 BDAERP C[C@@H]1CN(CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1[NH3+] ZINC000714844205 712502037 /nfs/dbraw/zinc/50/20/37/712502037.db2.gz DEEHJIBPMHMPLX-XEZLXBQYSA-N 2 0 208.349 1.702 10 0 BDAERP [NH3+][C@H]1C[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000715082070 712507306 /nfs/dbraw/zinc/50/73/06/712507306.db2.gz NRILAEBZYIJWLG-XYPYZODXSA-N 2 0 227.311 1.806 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000717375788 712652584 /nfs/dbraw/zinc/65/25/84/712652584.db2.gz MROHOXVWEMETAB-AVGNSLFASA-N 2 0 240.391 1.779 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]C1 ZINC000717628231 712661953 /nfs/dbraw/zinc/66/19/53/712661953.db2.gz VOQYHJXSPGKDSN-XQQFMLRXSA-N 2 0 240.391 1.779 10 0 BDAERP C[C@@]1(CN2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]C1 ZINC000250811793 712834942 /nfs/dbraw/zinc/83/49/42/712834942.db2.gz UVJJYZYMMWUAPY-UONOGXRCSA-N 2 0 237.391 1.156 10 0 BDAERP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)nn1 ZINC000720606307 712858009 /nfs/dbraw/zinc/85/80/09/712858009.db2.gz MZWQFLQKQJIRDJ-TVQRCGJNSA-N 2 0 234.347 1.120 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCOCC2 ZINC000685955289 538900579 /nfs/dbraw/zinc/90/05/79/538900579.db2.gz XHRPUWRPVSOMIY-RYUDHWBXSA-N 2 0 212.337 1.369 10 0 BDAERP CC(C)C1([NH+]2CCSCC2)CC[NH2+]CC1 ZINC000685961860 538909229 /nfs/dbraw/zinc/90/92/29/538909229.db2.gz WZUBNDFISCSFOG-UHFFFAOYSA-N 2 0 228.405 1.813 10 0 BDAERP Cc1ccc(F)cc1[C@@H]1C[NH2+]C[C@]1(C)N ZINC000685965671 538912272 /nfs/dbraw/zinc/91/22/72/538912272.db2.gz OGNGHKJBJXAVQB-RYUDHWBXSA-N 2 0 208.280 1.538 10 0 BDAERP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)c(C)n1C ZINC000052790274 178022204 /nfs/dbraw/zinc/02/22/04/178022204.db2.gz HAPBVKNWQSUSOD-ZDUSSCGKSA-N 2 0 235.375 1.683 10 0 BDAERP Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC000309371986 178120671 /nfs/dbraw/zinc/12/06/71/178120671.db2.gz BITHCJLJJOPPSK-ZWNOBZJWSA-N 2 0 219.332 1.811 10 0 BDAERP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000386772763 398219839 /nfs/dbraw/zinc/21/98/39/398219839.db2.gz KSQWGZLAIZVLTE-MJBXVCDLSA-N 2 0 248.374 1.169 10 0 BDAERP C[C@@H]1CC[C@H](O)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647997423 398255385 /nfs/dbraw/zinc/25/53/85/398255385.db2.gz BOFBDHWWDRXIQS-YPMHNXCESA-N 2 0 226.364 1.221 10 0 BDAERP CCC(CC)NC(=O)CN(CCC[NH3+])C(C)C ZINC000049285402 168377443 /nfs/dbraw/zinc/37/74/43/168377443.db2.gz AZBXSRXJUCBIOM-UHFFFAOYSA-N 2 0 243.395 1.350 10 0 BDAERP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000390511491 539022636 /nfs/dbraw/zinc/02/26/36/539022636.db2.gz ZRGZWEWTCXAPLN-GRYCIOLGSA-N 2 0 219.332 1.976 10 0 BDAERP CCN1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266044 539027069 /nfs/dbraw/zinc/02/70/69/539027069.db2.gz URBYGWQHWCGIDU-LLVKDONJSA-N 2 0 239.407 1.719 10 0 BDAERP C[C@@H]1C[NH+](CC2C[NH2+]C2)C[C@@H](C)S1 ZINC000165219510 342883468 /nfs/dbraw/zinc/88/34/68/342883468.db2.gz NYRLJPILCYCOFJ-RKDXNWHRSA-N 2 0 200.351 1.032 10 0 BDAERP CC[C@H](CSC)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400560181 529415641 /nfs/dbraw/zinc/41/56/41/529415641.db2.gz LCHOTQOPZJQUMP-GMTAPVOTSA-N 2 0 216.394 1.716 10 0 BDAERP CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH3+] ZINC000033506767 343256224 /nfs/dbraw/zinc/25/62/24/343256224.db2.gz QBYBTRGJFDHZKL-ZDUSSCGKSA-N 2 0 236.359 1.607 10 0 BDAERP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000037490798 343347289 /nfs/dbraw/zinc/34/72/89/343347289.db2.gz ZZXWSZRBGXEZCD-CHWSQXEVSA-N 2 0 228.380 1.611 10 0 BDAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000036170681 187258672 /nfs/dbraw/zinc/25/86/72/187258672.db2.gz LWDRUUBBZUOPTQ-HNNXBMFYSA-N 2 0 247.386 1.712 10 0 BDAERP CC(C)[NH+]1CCN([C@@](C)(C[NH3+])C(C)C)CC1 ZINC000041053667 187264563 /nfs/dbraw/zinc/26/45/63/187264563.db2.gz BHUSQPHNFKXXJT-ZDUSSCGKSA-N 2 0 227.396 1.386 10 0 BDAERP CC(C)C[C@H](C)[N@H+](C)CCn1cc(C[NH3+])nn1 ZINC000052571947 187271306 /nfs/dbraw/zinc/27/13/06/187271306.db2.gz RODOYEDMYWMPJT-NSHDSACASA-N 2 0 239.367 1.103 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409427987 343802682 /nfs/dbraw/zinc/80/26/82/343802682.db2.gz LNEXUDFHYZDEGV-NXEZZACHSA-N 2 0 218.291 1.702 10 0 BDAERP CC[N@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000405378566 343812109 /nfs/dbraw/zinc/81/21/09/343812109.db2.gz IKOALGKEPAGNQD-NSHDSACASA-N 2 0 214.378 1.566 10 0 BDAERP COC[C@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000409425366 343819330 /nfs/dbraw/zinc/81/93/30/343819330.db2.gz AJYUZUXQBKCNHS-VIFPVBQESA-N 2 0 240.269 1.236 10 0 BDAERP CC(C)[N@@H+]1CCO[C@H](C2CC[NH2+]CC2)C1 ZINC000409431856 343822872 /nfs/dbraw/zinc/82/28/72/343822872.db2.gz LMBHRXWIOLQLCK-LBPRGKRZSA-N 2 0 212.337 1.095 10 0 BDAERP CCOC[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409433995 343831024 /nfs/dbraw/zinc/83/10/24/343831024.db2.gz ZMEWGMSQRYSZFW-LLVKDONJSA-N 2 0 212.337 1.097 10 0 BDAERP O[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C[C@@H]1CC1CC1 ZINC000409435751 343839975 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538519555 /nfs/dbraw/zinc/51/95/55/538519555.db2.gz SGOZIZRFZGRWIC-MNOVXSKESA-N 2 0 212.337 1.225 10 0 BDAERP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH2+]CC1 ZINC000389708103 357018054 /nfs/dbraw/zinc/01/80/54/357018054.db2.gz LKISYAXERJLSAG-NSHDSACASA-N 2 0 213.369 1.057 10 0 BDAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000160574754 357078147 /nfs/dbraw/zinc/07/81/47/357078147.db2.gz QKFBSPRSRDGYTI-VHSXEESVSA-N 2 0 214.378 1.551 10 0 BDAERP CC[N@H+](CCOC)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685951384 538894350 /nfs/dbraw/zinc/89/43/50/538894350.db2.gz RUUJPZCBIHAEGL-GHMZBOCLSA-N 2 0 214.353 1.199 10 0 BDAERP Cc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])cc[nH+]1 ZINC000232057431 491123835 /nfs/dbraw/zinc/12/38/35/491123835.db2.gz GQFGHJZWGCJINK-MFKMUULPSA-N 2 0 219.332 1.954 10 0 BDAERP C[NH2+][C@@H]1CC[C@]2(CCCO2)C[C@H]1[NH+]1CCCC1 ZINC000584620512 358287456 /nfs/dbraw/zinc/28/74/56/358287456.db2.gz SCDNSNWEDZBNKM-MGPQQGTHSA-N 2 0 238.375 1.772 10 0 BDAERP 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1.694 10 0 BDAERP C[C@@H](C[NH3+])C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908139 361001493 /nfs/dbraw/zinc/00/14/93/361001493.db2.gz KMWLBKCETIWCFR-LPEHRKFASA-N 2 0 202.367 1.407 10 0 BDAERP C[C@H]1C[NH+](CCC(N)=[NH2+])C[C@H](C)S1 ZINC000069908664 361014688 /nfs/dbraw/zinc/01/46/88/361014688.db2.gz FKWOSNAEQCJTIY-YUMQZZPRSA-N 2 0 201.339 1.138 10 0 BDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000579227549 366738718 /nfs/dbraw/zinc/73/87/18/366738718.db2.gz OXTRFMRFUNNBCV-OLZOCXBDSA-N 2 0 242.407 1.715 10 0 BDAERP FC1(F)C[C@@H]1CC[NH2+]C1CC[NH2+]CC1 ZINC000622044214 370675725 /nfs/dbraw/zinc/67/57/25/370675725.db2.gz YSFYEVZSXVILGT-QMMMGPOBSA-N 2 0 204.264 1.373 10 0 BDAERP [NH3+]C1([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000004204193 181333021 /nfs/dbraw/zinc/33/30/21/181333021.db2.gz CVIWGPQILYTQHX-CYBMUJFWSA-N 2 0 216.328 2.000 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@H]1CCCC12CC2 ZINC000629554954 361436575 /nfs/dbraw/zinc/43/65/75/361436575.db2.gz OZWAQHOONQJZNT-LLVKDONJSA-N 2 0 208.349 1.908 10 0 BDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000629554498 361442644 /nfs/dbraw/zinc/44/26/44/361442644.db2.gz JXSCNSVDUKJACO-WUHRBBMRSA-N 2 0 226.364 1.389 10 0 BDAERP [NH3+]C1CCC(C[N@@H+]2CCCOCC2)CC1 ZINC000061934921 181341843 /nfs/dbraw/zinc/34/18/43/181341843.db2.gz OHLBBTOUPZFNIY-UHFFFAOYSA-N 2 0 212.337 1.226 10 0 BDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCC(O)CC1 ZINC000054601482 181344391 /nfs/dbraw/zinc/34/43/91/181344391.db2.gz SZMHXFUVPILALM-LJZITESISA-N 2 0 238.375 1.634 10 0 BDAERP [NH3+]C1CC[NH+](CCc2ccsc2)CC1 ZINC000049183864 181344773 /nfs/dbraw/zinc/34/47/73/181344773.db2.gz YVWJBEIXMFJQMU-UHFFFAOYSA-N 2 0 210.346 1.714 10 0 BDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCOCC1 ZINC000040749424 181344929 /nfs/dbraw/zinc/34/49/29/181344929.db2.gz JEKRMMSCUUUBMH-CLYYMRHHSA-N 2 0 210.321 1.120 10 0 BDAERP [NH3+]C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000011729506 181345097 /nfs/dbraw/zinc/34/50/97/181345097.db2.gz FFERUJQCFWOSAZ-ZDUSSCGKSA-N 2 0 220.316 1.143 10 0 BDAERP C[C@H](C[NH3+])[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000252588211 363909716 /nfs/dbraw/zinc/90/97/16/363909716.db2.gz AUEMVAHQZVYDMA-MXWKQRLJSA-N 2 0 200.326 1.081 10 0 BDAERP CO[C@@H]1CN(CCc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630368088 364085242 /nfs/dbraw/zinc/08/52/42/364085242.db2.gz QGNMQXIMOVUNMS-KBPBESRZSA-N 2 0 249.358 1.062 10 0 BDAERP CCCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630355353 364077538 /nfs/dbraw/zinc/07/75/38/364077538.db2.gz GWZTWIUZAFNFIZ-NWDGAFQWSA-N 2 0 214.353 1.615 10 0 BDAERP CO[C@@H]1C[N@H+](CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630354794 364078053 /nfs/dbraw/zinc/07/80/53/364078053.db2.gz AZIWGHNNKQPZAK-WDEREUQCSA-N 2 0 200.326 1.081 10 0 BDAERP CO[C@H]1CN(Cc2ncccc2C)[C@](C)(C[NH3+])C1 ZINC000630367414 364084802 /nfs/dbraw/zinc/08/48/02/364084802.db2.gz OJNKWHAYSJEYFB-OCCSQVGLSA-N 2 0 249.358 1.328 10 0 BDAERP CC1CC[NH+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264548 541337568 /nfs/dbraw/zinc/33/75/68/541337568.db2.gz VIBHMFLHLRZEHD-CHWSQXEVSA-N 2 0 238.375 1.615 10 0 BDAERP C[NH2+]CC1(C[NH3+])CC(c2ccccc2)C1 ZINC000725273547 541341269 /nfs/dbraw/zinc/34/12/69/541341269.db2.gz KIHRBJYDHRJSII-UHFFFAOYSA-N 2 0 204.317 1.729 10 0 BDAERP [NH3+]CC1(C[NH+]2CCC(O)CC2)CCCCC1 ZINC000051207186 181359085 /nfs/dbraw/zinc/35/90/85/181359085.db2.gz RMXMHSGSVLYRGW-UHFFFAOYSA-N 2 0 226.364 1.352 10 0 BDAERP [NH3+]CC1(N2CCC3(CC2)OCCO3)CCCC1 ZINC000028492765 181359877 /nfs/dbraw/zinc/35/98/77/181359877.db2.gz BOKHQFVKOVJTJZ-UHFFFAOYSA-N 2 0 240.347 1.097 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@@H]1CCC[NH2+]C1 ZINC000573555637 364858105 /nfs/dbraw/zinc/85/81/05/364858105.db2.gz LVXLQCIBXUDVPO-REWJHTLYSA-N 2 0 240.391 1.515 10 0 BDAERP C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1CCC[NH2+]C1 ZINC000573830812 364926490 /nfs/dbraw/zinc/92/64/90/364926490.db2.gz CIBMVDYSMZREAX-HBNTYKKESA-N 2 0 202.317 1.712 10 0 BDAERP [NH3+]CCCCC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000037755650 181374820 /nfs/dbraw/zinc/37/48/20/181374820.db2.gz BQRVXRKIVUKPJX-UHFFFAOYSA-N 2 0 249.349 1.388 10 0 BDAERP [NH3+]CCCC[N@H+]1C[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 ZINC000072236205 181375860 /nfs/dbraw/zinc/37/58/60/181375860.db2.gz RUWSDCQHMGBAFR-YVECIDJPSA-N 2 0 206.333 1.479 10 0 BDAERP CN(C[C@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000675054247 541433695 /nfs/dbraw/zinc/43/36/95/541433695.db2.gz PCHNZLWUOPXODY-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000574392270 365051408 /nfs/dbraw/zinc/05/14/08/365051408.db2.gz LAWZFFDSOMYVQW-FIQHERPVSA-N 2 0 246.420 1.077 10 0 BDAERP [NH3+]CCN(CC[NH3+])C[C@@H]1CCCc2ccccc21 ZINC000104313498 181390444 /nfs/dbraw/zinc/39/04/44/181390444.db2.gz UBXFGORXESKRAZ-AWEZNQCLSA-N 2 0 247.386 1.326 10 0 BDAERP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000581608616 367632180 /nfs/dbraw/zinc/63/21/80/367632180.db2.gz ZOCNNVWHFMUDEG-KKOKHZNYSA-N 2 0 212.337 1.142 10 0 BDAERP Cc1cnn(CCN[C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000386058847 367906733 /nfs/dbraw/zinc/90/67/33/367906733.db2.gz WXVXRIYGXLYPLM-QWHCGFSZSA-N 2 0 236.363 1.312 10 0 BDAERP Cc1ncccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836862 369085065 /nfs/dbraw/zinc/08/50/65/369085065.db2.gz IEIRHZDMSFJHSE-MFKMUULPSA-N 2 0 219.332 1.417 10 0 BDAERP C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[NH2+]C1 ZINC000567647038 326237797 /nfs/dbraw/zinc/23/77/97/326237797.db2.gz NCTRAJOBPGBROM-WDEREUQCSA-N 2 0 214.353 1.125 10 0 BDAERP CC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CCS1 ZINC000133027934 371974118 /nfs/dbraw/zinc/97/41/18/371974118.db2.gz IUNXZEBLQKOZBD-NSHDSACASA-N 2 0 214.378 1.566 10 0 BDAERP [NH3+]C[C@@H]1CC[C@@H]1[N@@H+]1CCCSCC1 ZINC000217687988 371997774 /nfs/dbraw/zinc/99/77/74/371997774.db2.gz FRKXZCORHIIMNM-UWVGGRQHSA-N 2 0 200.351 1.163 10 0 BDAERP N#CCC[NH2+]CCCCCCC[NH2+]CCC#N ZINC000218675814 372143772 /nfs/dbraw/zinc/14/37/72/372143772.db2.gz QDGYCGRHRXRPHU-UHFFFAOYSA-N 2 0 236.363 1.943 10 0 BDAERP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000631837513 372627851 /nfs/dbraw/zinc/62/78/51/372627851.db2.gz CEWDDEQFVRYMPW-NEPJUHHUSA-N 2 0 219.332 1.417 10 0 BDAERP C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000631838636 372634758 /nfs/dbraw/zinc/63/47/58/372634758.db2.gz RXFUTSRGOYQZLY-WOPDTQHZSA-N 2 0 212.337 1.082 10 0 BDAERP C[C@H]1C[N@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000631841064 372638761 /nfs/dbraw/zinc/63/87/61/372638761.db2.gz XUAIROFBYQHYAW-AAEUAGOBSA-N 2 0 219.332 1.151 10 0 BDAERP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000049184910 169007292 /nfs/dbraw/zinc/00/72/92/169007292.db2.gz MSOSRSKPYUWVDB-RYUDHWBXSA-N 2 0 241.379 1.104 10 0 BDAERP OC[C@H](C1CCCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117373 183136246 /nfs/dbraw/zinc/13/62/46/183136246.db2.gz MERPQIGQKRGEKK-CYBMUJFWSA-N 2 0 226.364 1.223 10 0 BDAERP O[C@@H]1CCCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000062072612 183186660 /nfs/dbraw/zinc/18/66/60/183186660.db2.gz SIGRSFDPSFXMQV-UONOGXRCSA-N 2 0 240.391 1.756 10 0 BDAERP O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904452 183231914 /nfs/dbraw/zinc/23/19/14/183231914.db2.gz UPKNQDIAOVAOOI-UBHSHLNASA-N 2 0 238.375 1.364 10 0 BDAERP CCC[N@H+](CCC[NH3+])[C@H](C)C(=O)N1CCCC1 ZINC000036731940 169156046 /nfs/dbraw/zinc/15/60/46/169156046.db2.gz GONHYKQRUAQUBG-GFCCVEGCSA-N 2 0 241.379 1.058 10 0 BDAERP CCCN(CC[NH2+][C@@H](C)C(C)C)CC[NH+](C)C ZINC000053436098 169160196 /nfs/dbraw/zinc/16/01/96/169160196.db2.gz JUVFNJLEJAFLPT-AWEZNQCLSA-N 2 0 243.439 1.894 10 0 BDAERP CCC[NH+]1CCC(N2CC[NH2+][C@@H](C)CC2)CC1 ZINC000049662633 169186417 /nfs/dbraw/zinc/18/64/17/169186417.db2.gz MMVCPJDLCMBMQQ-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCC(N2CCC([NH2+]C)CC2)CC1 ZINC000049557853 169186465 /nfs/dbraw/zinc/18/64/65/169186465.db2.gz KELFSLYRALJHSJ-UHFFFAOYSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCC(NCC[N@H+](C)C2CC2)CC1 ZINC000061992532 169188049 /nfs/dbraw/zinc/18/80/49/169188049.db2.gz VJAUBZHZKYGCOJ-UHFFFAOYSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000019504799 169201799 /nfs/dbraw/zinc/20/17/99/169201799.db2.gz MURSJPOLRMYEAD-UHFFFAOYSA-N 2 0 241.379 1.060 10 0 BDAERP CCC[NH+]1CCN(C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053860713 169202489 /nfs/dbraw/zinc/20/24/89/169202489.db2.gz QPBZORNFHNNVKP-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP CCCN1CC[NH+](C2CCC([NH3+])CC2)CC1 ZINC000055144199 169202494 /nfs/dbraw/zinc/20/24/94/169202494.db2.gz FKPROWYGZMLTDU-UHFFFAOYSA-N 2 0 225.380 1.284 10 0 BDAERP CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000037689499 169256229 /nfs/dbraw/zinc/25/62/29/169256229.db2.gz BGOFCSZSLHVEJR-STQMWFEESA-N 2 0 226.364 1.364 10 0 BDAERP CCC[NH2+][C@H](CC)CN(C)CC[NH+]1CCCC1 ZINC000063051742 169287925 /nfs/dbraw/zinc/28/79/25/169287925.db2.gz UGBBCHKRBYDEIB-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000049565119 183395367 /nfs/dbraw/zinc/39/53/67/183395367.db2.gz YZVIQXRIFAVLBG-HUUCEWRRSA-N 2 0 245.370 1.841 10 0 BDAERP c1ccc(C[NH+]2CCC[NH2+]CCC2)cc1 ZINC000049664215 183398337 /nfs/dbraw/zinc/39/83/37/183398337.db2.gz PAISRCAKNXHMMT-UHFFFAOYSA-N 2 0 204.317 1.872 10 0 BDAERP CCCO[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000042422759 169310583 /nfs/dbraw/zinc/31/05/83/169310583.db2.gz KUYPRTTZEVAHGC-CYBMUJFWSA-N 2 0 226.364 1.629 10 0 BDAERP c1ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC000068576372 384000202 /nfs/dbraw/zinc/00/02/02/384000202.db2.gz WMBIHXDBQAGHSA-ZDUSSCGKSA-N 2 0 216.328 1.728 10 0 BDAERP COC1(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000319225149 384214465 /nfs/dbraw/zinc/21/44/65/384214465.db2.gz UGTRSKWHGFIZAV-XQQFMLRXSA-N 2 0 238.375 1.615 10 0 BDAERP [NH3+]C[C@H]1CCCN(Cc2ccnc(Cl)n2)C1 ZINC000095072561 384343467 /nfs/dbraw/zinc/34/34/67/384343467.db2.gz JLPVUXBVGNMCNG-SECBINFHSA-N 2 0 240.738 1.301 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C(C)(C)O ZINC000564823377 384657523 /nfs/dbraw/zinc/65/75/23/384657523.db2.gz OWFHKBLJBACOTL-UTUOFQBUSA-N 2 0 228.380 1.514 10 0 BDAERP C[C@H](C[NH2+]CC(C)(C)O)C[NH+]1CCCC1 ZINC000062071258 384759296 /nfs/dbraw/zinc/75/92/96/384759296.db2.gz JLAMVHLTPXHIBV-LLVKDONJSA-N 2 0 214.353 1.079 10 0 BDAERP COC[C@H](C)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000300232874 384827922 /nfs/dbraw/zinc/82/79/22/384827922.db2.gz IPGWCSUFAGNMFG-NEPJUHHUSA-N 2 0 214.353 1.343 10 0 BDAERP C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000306574756 384783878 /nfs/dbraw/zinc/78/38/78/384783878.db2.gz IOLXXFCIYCGRPR-IVZWLZJFSA-N 2 0 214.378 1.468 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cccc(Br)c1 ZINC000259402119 385425331 /nfs/dbraw/zinc/42/53/31/385425331.db2.gz OCQLEBLAYZMKHY-VIFPVBQESA-N 2 0 229.121 1.798 10 0 BDAERP C(C1CC[NH2+]CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000169726665 385418253 /nfs/dbraw/zinc/41/82/53/385418253.db2.gz YMNRSSWKBQXIIX-CYBMUJFWSA-N 2 0 208.349 1.718 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000183100071 385508327 /nfs/dbraw/zinc/50/83/27/385508327.db2.gz HUJJEEFBVASECJ-RWMBFGLXSA-N 2 0 226.364 1.628 10 0 BDAERP CCN1CC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000414539784 385706568 /nfs/dbraw/zinc/70/65/68/385706568.db2.gz FAVBIVIDOHZLCN-CYBMUJFWSA-N 2 0 244.342 1.747 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000306948217 385670456 /nfs/dbraw/zinc/67/04/56/385670456.db2.gz SCCXYLGBXYTWMA-MRVPVSSYSA-N 2 0 204.195 1.453 10 0 BDAERP C(C[NH2+][C@@H]1CCC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000401920004 386427485 /nfs/dbraw/zinc/42/74/85/386427485.db2.gz DNYOCMMEHVGCQY-CHWSQXEVSA-N 2 0 226.364 1.535 10 0 BDAERP CCOCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000519539979 386485686 /nfs/dbraw/zinc/48/56/86/386485686.db2.gz UGLBNNVTULRRHX-QWHCGFSZSA-N 2 0 228.380 1.781 10 0 BDAERP OCC1(C[NH2+]C2CC[NH2+]CC2)CCCCC1 ZINC000168339439 386758119 /nfs/dbraw/zinc/75/81/19/386758119.db2.gz IRPDTPBTSJMREK-UHFFFAOYSA-N 2 0 226.364 1.271 10 0 BDAERP C[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000192453223 386770594 /nfs/dbraw/zinc/77/05/94/386770594.db2.gz YNDZPDUGOIMPPH-NEPJUHHUSA-N 2 0 228.380 1.589 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCN[C@H]1C)C1CCOCC1 ZINC000396571937 386781915 /nfs/dbraw/zinc/78/19/15/386781915.db2.gz AWSFAMYQHODNIJ-GVXVVHGQSA-N 2 0 226.364 1.532 10 0 BDAERP COc1ccc([C@H]([NH3+])CCCC[NH3+])cc1F ZINC000575439440 387124489 /nfs/dbraw/zinc/12/44/89/387124489.db2.gz LIGPRIYCRPAHPU-LLVKDONJSA-N 2 0 226.295 1.963 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1c(F)cccc1F ZINC000575440058 387127196 /nfs/dbraw/zinc/12/71/96/387127196.db2.gz ICFUPPBNCUFDHM-VIFPVBQESA-N 2 0 200.232 1.704 10 0 BDAERP COc1cc([C@H]([NH3+])CCC[NH3+])cc(Cl)c1O ZINC000575438291 387128942 /nfs/dbraw/zinc/12/89/42/387128942.db2.gz IIYHFGQDBHUKQH-SECBINFHSA-N 2 0 244.722 1.793 10 0 BDAERP C[C@@H]1C[C@@H](N)C[N@@H+]1[C@H]1CCCSC1 ZINC000575590988 387203431 /nfs/dbraw/zinc/20/34/31/387203431.db2.gz IOYITDIOMCNVOG-BBBLOLIVSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H]([NH2+]CCc1ccsc1)[C@@H]1CC[NH2+]C1 ZINC000400437790 387302683 /nfs/dbraw/zinc/30/26/83/387302683.db2.gz NDZLHTQFZCBUQJ-CMPLNLGQSA-N 2 0 224.373 1.878 10 0 BDAERP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643473985 387489448 /nfs/dbraw/zinc/48/94/48/387489448.db2.gz JTXUPTGKAKPDSH-SNPRPXQTSA-N 2 0 248.370 1.698 10 0 BDAERP CCC(CC)[C@@H](CNC1CC[NH2+]CC1)[NH+](C)C ZINC000038040779 387571068 /nfs/dbraw/zinc/57/10/68/387571068.db2.gz BPXXYXGRONILER-CQSZACIVSA-N 2 0 241.423 1.694 10 0 BDAERP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CCC[NH2+]CC1 ZINC000129110938 387763881 /nfs/dbraw/zinc/76/38/81/387763881.db2.gz PMHVNMUJBZTBTL-KGLIPLIRSA-N 2 0 241.423 1.694 10 0 BDAERP OCC[C@@H]([NH2+]C1CC[NH2+]CC1)C1CCCCC1 ZINC000423001239 387805342 /nfs/dbraw/zinc/80/53/42/387805342.db2.gz DIGWMRNZYQICNC-CQSZACIVSA-N 2 0 240.391 1.659 10 0 BDAERP C[C@@H](C[NH2+]C1CC[NH2+]CC1)Oc1ccccc1 ZINC000422975974 387826874 /nfs/dbraw/zinc/82/68/74/387826874.db2.gz CKJBHIOTENUFCG-LBPRGKRZSA-N 2 0 234.343 1.796 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000643459711 387848932 /nfs/dbraw/zinc/84/89/32/387848932.db2.gz USYGYBLMEVSLLE-AVGNSLFASA-N 2 0 226.364 1.533 10 0 BDAERP C[C@H]([NH2+]CCC1(F)CCC1)[C@H]1CC[NH2+]C1 ZINC000423113899 387895002 /nfs/dbraw/zinc/89/50/02/387895002.db2.gz UWYYKKNMMNHPKP-QWRGUYRKSA-N 2 0 214.328 1.856 10 0 BDAERP C[C@@H]([NH2+]CCC1(F)CCC1)[C@H]1CC[NH2+]C1 ZINC000423113898 387895530 /nfs/dbraw/zinc/89/55/30/387895530.db2.gz UWYYKKNMMNHPKP-MNOVXSKESA-N 2 0 214.328 1.856 10 0 BDAERP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C12CCC2 ZINC000423171304 387956163 /nfs/dbraw/zinc/95/61/63/387956163.db2.gz OBAQOIRKXZPSQC-JHJVBQTASA-N 2 0 238.375 1.676 10 0 BDAERP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)nc1 ZINC000423161261 387942608 /nfs/dbraw/zinc/94/26/08/387942608.db2.gz INKRFJZRKHXGFZ-CHWSQXEVSA-N 2 0 233.359 1.520 10 0 BDAERP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)nc1 ZINC000423164120 387945330 /nfs/dbraw/zinc/94/53/30/387945330.db2.gz NXZDYRYOYAJQFE-ZDUSSCGKSA-N 2 0 233.359 1.664 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[NH2+]C2)C12CCC2 ZINC000423172066 387959730 /nfs/dbraw/zinc/95/97/30/387959730.db2.gz RDSKBWCRGKSWQF-MROQNXINSA-N 2 0 238.375 1.532 10 0 BDAERP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400509569 387986634 /nfs/dbraw/zinc/98/66/34/387986634.db2.gz FEDFAYALLYYSIK-WCFLWFBJSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000423215441 387996551 /nfs/dbraw/zinc/99/65/51/387996551.db2.gz NWCNTHXOSBNGDE-BETNDFDFSA-N 2 0 208.349 1.904 10 0 BDAERP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000084231289 388075350 /nfs/dbraw/zinc/07/53/50/388075350.db2.gz LGPHVPSLOBDWMV-AAEUAGOBSA-N 2 0 226.364 1.221 10 0 BDAERP C1C[C@H]([NH2+][C@H]2CCCSCC2)C[NH2+]1 ZINC000575518826 388356101 /nfs/dbraw/zinc/35/61/01/388356101.db2.gz VZDMCGLUXFCMFT-UWVGGRQHSA-N 2 0 200.351 1.224 10 0 BDAERP C[C@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631842928 388611014 /nfs/dbraw/zinc/61/10/14/388611014.db2.gz HMBYCCJLCRYWGS-STQMWFEESA-N 2 0 234.343 1.592 10 0 BDAERP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000274402538 132202977 /nfs/dbraw/zinc/20/29/77/132202977.db2.gz YCBYBKLOUDAXIU-QWHCGFSZSA-N 2 0 249.358 1.281 10 0 BDAERP CC[NH+]1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000019872693 132328533 /nfs/dbraw/zinc/32/85/33/132328533.db2.gz LGRFNPWZCGRCOB-LBPRGKRZSA-N 2 0 233.359 1.848 10 0 BDAERP Nc1c[nH+]ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000035081407 132337541 /nfs/dbraw/zinc/33/75/41/132337541.db2.gz OHKPKLYCGWLDRU-UHFFFAOYSA-N 2 0 246.358 1.728 10 0 BDAERP C[C@@H]([NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000044460612 132353864 /nfs/dbraw/zinc/35/38/64/132353864.db2.gz ZWNNKHIIQYBVMR-GFCCVEGCSA-N 2 0 233.359 1.328 10 0 BDAERP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000178260153 134305841 /nfs/dbraw/zinc/30/58/41/134305841.db2.gz HJKDOBVFLPAEQC-ONGXEEELSA-N 2 0 233.315 1.254 10 0 BDAERP C[C@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248745830 135020498 /nfs/dbraw/zinc/02/04/98/135020498.db2.gz BBDPXRVRUBSBJY-WSOGJNRSSA-N 2 0 240.391 1.608 10 0 BDAERP C[NH+](C)CCC[N@H+](C)[C@H]1CCCC[C@H]1O ZINC000250347925 135053053 /nfs/dbraw/zinc/05/30/53/135053053.db2.gz HNZZRMZYWVCUBL-NWDGAFQWSA-N 2 0 214.353 1.173 10 0 BDAERP CC(C)C[C@@H]([NH3+])CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000251419449 135069607 /nfs/dbraw/zinc/06/96/07/135069607.db2.gz PMGVUMFEERJODY-QWHCGFSZSA-N 2 0 227.396 1.243 10 0 BDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]CC1CCCCCC1 ZINC000262069752 135276941 /nfs/dbraw/zinc/27/69/41/135276941.db2.gz BZLVTNNNLHSCIB-OLZOCXBDSA-N 2 0 226.364 1.127 10 0 BDAERP CCC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263142401 135335684 /nfs/dbraw/zinc/33/56/84/135335684.db2.gz CLLOFFVUQYQCCC-MVKMKZAISA-N 2 0 226.364 1.125 10 0 BDAERP CCC(CC)(CC)C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263214479 135340057 /nfs/dbraw/zinc/34/00/57/135340057.db2.gz KSDZZAWZWFKCBD-RYUDHWBXSA-N 2 0 228.380 1.373 10 0 BDAERP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263310744 135345633 /nfs/dbraw/zinc/34/56/33/135345633.db2.gz YNZRJTLEUSCTDQ-CFVMTHIKSA-N 2 0 248.370 1.096 10 0 BDAERP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263310747 135345799 /nfs/dbraw/zinc/34/57/99/135345799.db2.gz YNZRJTLEUSCTDQ-QEJZJMRPSA-N 2 0 248.370 1.096 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC(C)(C)C1 ZINC000263312042 135345828 /nfs/dbraw/zinc/34/58/28/135345828.db2.gz YVMOPWRXFCUICC-VOAKCMCISA-N 2 0 240.391 1.371 10 0 BDAERP C[N@@H+]1CCCC12CC[NH+](CCC1(O)CC1)CC2 ZINC000334388028 135384559 /nfs/dbraw/zinc/38/45/59/135384559.db2.gz PYXPRSRHOGYFTN-UHFFFAOYSA-N 2 0 238.375 1.462 10 0 BDAERP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000307296910 398062808 /nfs/dbraw/zinc/06/28/08/398062808.db2.gz RKKOMYCZVYTMOE-UWVGGRQHSA-N 2 0 245.367 1.084 10 0 BDAERP CO[C@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266536 409567179 /nfs/dbraw/zinc/56/71/79/409567179.db2.gz IDGPJHNQIJZBLF-ZIAGYGMSSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)C1CC[NH+](C)CC1 ZINC000396444682 410882494 /nfs/dbraw/zinc/88/24/94/410882494.db2.gz CMDXBIRJHVGXHJ-OUCADQQQSA-N 2 0 239.407 1.447 10 0 BDAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1CCN(C)CC1 ZINC000052379481 167003383 /nfs/dbraw/zinc/00/33/83/167003383.db2.gz BIXRPCQHOGSFEL-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)[N@@H+]1CCc2nc([C@@H](C)C[NH3+])sc2C1 ZINC000054158373 167028162 /nfs/dbraw/zinc/02/81/62/167028162.db2.gz VZEQVSXCNWLRNF-VIFPVBQESA-N 2 0 239.388 1.972 10 0 BDAERP CC(C)[NH2+]C[C@@H](C)CN(C)CC[NH+]1CCCC1 ZINC000063054200 167110422 /nfs/dbraw/zinc/11/04/22/167110422.db2.gz GQXQTPOYGBFKBT-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CN(C)[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000062965963 411334667 /nfs/dbraw/zinc/33/46/67/411334667.db2.gz AKOIYMAUESWPIC-ZDUSSCGKSA-N 2 0 225.380 1.012 10 0 BDAERP CC1CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052377055 168182920 /nfs/dbraw/zinc/18/29/20/168182920.db2.gz JZFZCSTVYVAKES-NEPJUHHUSA-N 2 0 212.337 1.225 10 0 BDAERP CCNC(=O)C[N@H+](CC)Cc1ccc(C[NH3+])cc1 ZINC000042367759 170057403 /nfs/dbraw/zinc/05/74/03/170057403.db2.gz CDANFVOCTCPFKV-UHFFFAOYSA-N 2 0 249.358 1.103 10 0 BDAERP CC[NH2+]CCC[NH2+][C@@H]1C=C[C@@H]([NH3+])CCC1 ZINC000029388521 170112400 /nfs/dbraw/zinc/11/24/00/170112400.db2.gz INPYDNOQRCNLPS-RYUDHWBXSA-N 3 0 211.353 1.012 10 0 BDAERP CC[NH2+]CCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942472 170112646 /nfs/dbraw/zinc/11/26/46/170112646.db2.gz QMJFQMNBNOWQKW-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP CC[NH2+]CCC[C@@H](C)[N@@H+]1CCN(CC)[C@H](C)C1 ZINC000104140289 170113049 /nfs/dbraw/zinc/11/30/49/170113049.db2.gz CLQCEBACEHOJRF-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]CCC[NH2+][C@@H]1C=C[C@H]([NH3+])CCC1 ZINC000029388518 170113075 /nfs/dbraw/zinc/11/30/75/170113075.db2.gz INPYDNOQRCNLPS-NEPJUHHUSA-N 3 0 211.353 1.012 10 0 BDAERP CC[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1 ZINC000040932596 170130987 /nfs/dbraw/zinc/13/09/87/170130987.db2.gz DXPORAWKJIMCBB-UHFFFAOYSA-N 2 0 202.261 1.377 10 0 BDAERP CC[NH2+]Cc1occc1C[N@@H+]1CCCOCC1 ZINC000061935789 170133041 /nfs/dbraw/zinc/13/30/41/170133041.db2.gz PPOMBRAWJMSTPM-UHFFFAOYSA-N 2 0 238.331 1.611 10 0 BDAERP CC[NH2+][C@H](CN(C)CCC[NH+](C)C)C(C)(C)C ZINC000104195732 170162634 /nfs/dbraw/zinc/16/26/34/170162634.db2.gz XZWHDARXCUOJMY-CYBMUJFWSA-N 2 0 243.439 1.894 10 0 BDAERP CC[NH2+][C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C ZINC000104193749 170166897 /nfs/dbraw/zinc/16/68/97/170166897.db2.gz AKSNHMJMMMDSGU-JSGCOSHPSA-N 2 0 240.391 1.733 10 0 BDAERP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCSCC1 ZINC000053864308 170167093 /nfs/dbraw/zinc/16/70/93/170167093.db2.gz YHPYJYNUFYBXNO-NEPJUHHUSA-N 2 0 228.405 1.813 10 0 BDAERP CC[NH2+][C@H]1CCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818337 170167183 /nfs/dbraw/zinc/16/71/83/170167183.db2.gz HLTLZXRCLWOTFQ-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CCOC1CC[NH+](C2CCC([NH3+])CC2)CC1 ZINC000055144435 170332039 /nfs/dbraw/zinc/33/20/39/170332039.db2.gz BXEQGUMGHOBCNB-UHFFFAOYSA-N 2 0 226.364 1.757 10 0 BDAERP CCOC1CC[NH+]([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000040678533 170332160 /nfs/dbraw/zinc/33/21/60/170332160.db2.gz IPIBOGPMRXLMMQ-AAEUAGOBSA-N 2 0 226.364 1.615 10 0 BDAERP Cc1nocc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000662266745 412058933 /nfs/dbraw/zinc/05/89/33/412058933.db2.gz OQLRDEZMGLONKK-ZMLRMANQSA-N 2 0 221.304 1.152 10 0 BDAERP C[N@H+](CCO[C@H]1CC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662265478 412057957 /nfs/dbraw/zinc/05/79/57/412057957.db2.gz CADYXFSCVOETNJ-QWRGUYRKSA-N 2 0 248.317 1.485 10 0 BDAERP CC[C@@H]1CN([C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000104138431 171094649 /nfs/dbraw/zinc/09/46/49/171094649.db2.gz YTENYUCEGDLDNI-HZSPNIEDSA-N 2 0 239.407 1.672 10 0 BDAERP CC[C@@H]1CN([C@](C)(C[NH3+])CC(C)C)CC[N@@H+]1C ZINC000104137039 171097418 /nfs/dbraw/zinc/09/74/18/171097418.db2.gz YCUCPQFEVBZQFG-KGLIPLIRSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1C1CCC([NH3+])CC1 ZINC000055144492 171111928 /nfs/dbraw/zinc/11/19/28/171111928.db2.gz CBAQXXIBQGJAJX-CQLXCSJHSA-N 2 0 226.364 1.756 10 0 BDAERP CC[C@@](C)(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000036191653 171166755 /nfs/dbraw/zinc/16/67/55/171166755.db2.gz RVGRPDHSCUMIDU-LBPRGKRZSA-N 2 0 213.369 1.140 10 0 BDAERP CC[C@@](C)(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000050279909 171167010 /nfs/dbraw/zinc/16/70/10/171167010.db2.gz BHPPLHDLOQBRKJ-LBPRGKRZSA-N 2 0 213.369 1.140 10 0 BDAERP CC[C@H](C)[C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000042744417 171368454 /nfs/dbraw/zinc/36/84/54/171368454.db2.gz LZPOOJCYIPVUJT-UONOGXRCSA-N 2 0 243.439 1.879 10 0 BDAERP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000665236913 412176874 /nfs/dbraw/zinc/17/68/74/412176874.db2.gz WHVFBWJWBNQOHF-XQQFMLRXSA-N 2 0 239.407 1.447 10 0 BDAERP C[C@@H]([NH2+]CCC(C)(C)F)[C@H]1CC[NH2+]C1 ZINC000665261645 412203978 /nfs/dbraw/zinc/20/39/78/412203978.db2.gz IQLJVCJRLGYJAF-ZJUUUORDSA-N 2 0 202.317 1.712 10 0 BDAERP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CC1(F)F ZINC000665264599 412207747 /nfs/dbraw/zinc/20/77/47/412207747.db2.gz DHAKBXBUORVYEC-VIFPVBQESA-N 2 0 204.264 1.373 10 0 BDAERP C[NH+](C)CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022223728 172426953 /nfs/dbraw/zinc/42/69/53/172426953.db2.gz KNGJFTNXERRKHY-UHFFFAOYSA-N 2 0 221.304 1.036 10 0 BDAERP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000054242729 172987253 /nfs/dbraw/zinc/98/72/53/172987253.db2.gz AAVLVDQCFWNDDD-QWHCGFSZSA-N 2 0 226.364 1.221 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1(CO)CCCC1 ZINC000053069219 173005347 /nfs/dbraw/zinc/00/53/47/173005347.db2.gz PCTFNPZMKXUKQN-CYBMUJFWSA-N 2 0 240.391 1.756 10 0 BDAERP CN(c1ccc(CC[NH3+])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000104278120 173043560 /nfs/dbraw/zinc/04/35/60/173043560.db2.gz HDHXNPJONFQRGI-HNNXBMFYSA-N 2 0 247.386 1.718 10 0 BDAERP C[N@@H+]1CCC[C@H]1CCOCc1occc1C[NH3+] ZINC000052673257 173052976 /nfs/dbraw/zinc/05/29/76/173052976.db2.gz BEUKHSDGZIFKHF-LBPRGKRZSA-N 2 0 238.331 1.739 10 0 BDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=[NH2+])Nc1ccccc1 ZINC000071190779 173143890 /nfs/dbraw/zinc/14/38/90/173143890.db2.gz APKRGLFCTBGAFN-LBPRGKRZSA-N 2 0 246.358 1.917 10 0 BDAERP C[NH2+]C1CC[NH+]([C@H](C)[C@@H]2CCCO2)CC1 ZINC000035735972 173324280 /nfs/dbraw/zinc/32/42/80/173324280.db2.gz AIOKDRGIADLWMF-PWSUYJOCSA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CCCOCC2)CCCC1 ZINC000061934501 173337644 /nfs/dbraw/zinc/33/76/44/173337644.db2.gz FIAFSOKDRRUTRT-UHFFFAOYSA-N 2 0 226.364 1.489 10 0 BDAERP C[NH2+]CC1(C[N@H+](C)C[C@@H]2C[C@@H]2C)CCOCC1 ZINC000104426976 173337849 /nfs/dbraw/zinc/33/78/49/173337849.db2.gz VTQKSXHILCSAMH-STQMWFEESA-N 2 0 240.391 1.590 10 0 BDAERP C[NH2+]CCNCCC[NH+]1CCCCCC1 ZINC000049478171 173355681 /nfs/dbraw/zinc/35/56/81/173355681.db2.gz HMJNXAAKZPBLEA-UHFFFAOYSA-N 2 0 213.369 1.062 10 0 BDAERP C[NH2+]CCNCCC[N@@H+]1CCCC[C@H]1C ZINC000049477755 173355935 /nfs/dbraw/zinc/35/59/35/173355935.db2.gz ORIVOTMPOARHED-GFCCVEGCSA-N 2 0 213.369 1.060 10 0 BDAERP C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000238857277 173368088 /nfs/dbraw/zinc/36/80/88/173368088.db2.gz YOCQJDXLPANCBZ-CMPLNLGQSA-N 2 0 222.336 1.022 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371143 173371685 /nfs/dbraw/zinc/37/16/85/173371685.db2.gz CMNDKPCGKQOTPR-RYUDHWBXSA-N 2 0 244.404 1.192 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371141 173371995 /nfs/dbraw/zinc/37/19/95/173371995.db2.gz CMNDKPCGKQOTPR-NWDGAFQWSA-N 2 0 244.404 1.192 10 0 BDAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000040601117 173378639 /nfs/dbraw/zinc/37/86/39/173378639.db2.gz GDALKSOWTBQEFA-NEPJUHHUSA-N 2 0 212.337 1.097 10 0 BDAERP C[NH2+]C[C@H]1CC[N@H+](CCCCn2ccnc2)C1 ZINC000053034310 173380888 /nfs/dbraw/zinc/38/08/88/173380888.db2.gz ZSOAMYDYZXSHPN-CYBMUJFWSA-N 2 0 236.363 1.205 10 0 BDAERP C[NH2+]C[C@]1(C[N@H+](C)CC2CCC2)CCCOC1 ZINC000104318766 173383930 /nfs/dbraw/zinc/38/39/30/173383930.db2.gz CQRPBVGKBURQCV-AWEZNQCLSA-N 2 0 240.391 1.735 10 0 BDAERP C[NH2+]Cc1cc(Cl)ccc1OCC[NH+](C)C ZINC000019776969 173387172 /nfs/dbraw/zinc/38/71/72/173387172.db2.gz OYZGKPXUBQBZOP-UHFFFAOYSA-N 2 0 242.750 2.000 10 0 BDAERP C[NH2+]Cc1cccc(OCC[NH+]2CCCC2)n1 ZINC000051548845 173389359 /nfs/dbraw/zinc/38/93/59/173389359.db2.gz QCNBTLHSJKENAZ-UHFFFAOYSA-N 2 0 235.331 1.276 10 0 BDAERP C[NH2+]Cc1coc(COC2CC[NH+](C)CC2)c1 ZINC000052596773 173392880 /nfs/dbraw/zinc/39/28/80/173392880.db2.gz COEDXQZMCLRARF-UHFFFAOYSA-N 2 0 238.331 1.610 10 0 BDAERP C[NH2+]Cc1occc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484431 173399931 /nfs/dbraw/zinc/39/99/31/173399931.db2.gz YCHAPUJHVNQVIJ-JTQLQIEISA-N 2 0 208.305 1.841 10 0 BDAERP C[NH2+][C@H](C)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000104413222 173445963 /nfs/dbraw/zinc/44/59/63/173445963.db2.gz YKONNQISDRWATD-BNOWGMLFSA-N 2 0 240.391 1.610 10 0 BDAERP COC1CC[NH+](Cc2cc(C[NH3+])co2)CC1 ZINC000052455320 174028999 /nfs/dbraw/zinc/02/89/99/174028999.db2.gz FTWFONHGWSMUJZ-UHFFFAOYSA-N 2 0 224.304 1.349 10 0 BDAERP COC1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000037265762 174030965 /nfs/dbraw/zinc/03/09/65/174030965.db2.gz UEOBDBZCUXFHSY-UHFFFAOYSA-N 2 0 234.343 1.756 10 0 BDAERP COCC[N@H+](C)C[C@](C)(C[NH3+])c1ccccc1 ZINC000051258777 174280436 /nfs/dbraw/zinc/28/04/36/174280436.db2.gz XEDPNDOKSIZJPL-AWEZNQCLSA-N 2 0 236.359 1.481 10 0 BDAERP COCC[N@H+](CCCCC(N)=[NH2+])[C@@H](C)C1CC1 ZINC000042680012 174291125 /nfs/dbraw/zinc/29/11/25/174291125.db2.gz HLWBASBOZAUIHE-NSHDSACASA-N 2 0 241.379 1.840 10 0 BDAERP COCC[NH+](CCOC)CC[C@H]([NH3+])C(C)(C)C ZINC000054029362 174296254 /nfs/dbraw/zinc/29/62/54/174296254.db2.gz PZPGRMFSMATWAV-LBPRGKRZSA-N 2 0 246.395 1.345 10 0 BDAERP COCC[NH2+]CCCC[N@H+](CCOC)C1CC1 ZINC000053499694 174332682 /nfs/dbraw/zinc/33/26/82/174332682.db2.gz ZSQBPAZXZQYXOI-UHFFFAOYSA-N 2 0 244.379 1.113 10 0 BDAERP COc1ccc(C2(C[NH3+])CC[NH+](C)CC2)cc1 ZINC000033487112 175084274 /nfs/dbraw/zinc/08/42/74/175084274.db2.gz GDOCQIXLZHLMSS-UHFFFAOYSA-N 2 0 234.343 1.617 10 0 BDAERP COc1ccc(C[C@@H](C[NH3+])C[NH+](C)C)cc1 ZINC000011799977 175115834 /nfs/dbraw/zinc/11/58/34/175115834.db2.gz JYBUIXJNQZBAKO-LBPRGKRZSA-N 2 0 222.332 1.374 10 0 BDAERP COc1ccc([C@@H](C[NH3+])CC[NH3+])cc1OC ZINC000041244617 175178060 /nfs/dbraw/zinc/17/80/60/175178060.db2.gz KFBRCSRGYAGAOE-SNVBAGLBSA-N 2 0 224.304 1.095 10 0 BDAERP COc1ccc2c(c1)[nH+]c(N)n2CC[NH+](C)C ZINC000075947393 175220003 /nfs/dbraw/zinc/22/00/03/175220003.db2.gz FCTSPWOBBPAMAO-UHFFFAOYSA-N 2 0 234.303 1.189 10 0 BDAERP C[C@@H]1CCN(CCC[NH+](C)C)CC[C@@H](C)[NH2+]1 ZINC000049666104 176169043 /nfs/dbraw/zinc/16/90/43/176169043.db2.gz JQQDRCHFENLOQP-CHWSQXEVSA-N 2 0 227.396 1.401 10 0 BDAERP C[C@@H]1C[N@H+](CC2CCC([NH3+])CC2)CCO1 ZINC000037482382 176285919 /nfs/dbraw/zinc/28/59/19/176285919.db2.gz PVOMQSQQSFECED-VOMCLLRMSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[N@@H+]2C)S1 ZINC000044563802 176324440 /nfs/dbraw/zinc/32/44/40/176324440.db2.gz QBKGGEXBVYVDPG-ZJUUUORDSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@@H]1C[NH2+]CCC[N@H+](CCc2ccco2)C1 ZINC000049667384 176324669 /nfs/dbraw/zinc/32/46/69/176324669.db2.gz USYHIMCKIABXLF-GFCCVEGCSA-N 2 0 222.332 1.754 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000324598446 487633422 /nfs/dbraw/zinc/63/34/22/487633422.db2.gz HVZGYUBUYOBFOW-HBNTYKKESA-N 2 0 214.353 1.253 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H]1CN1CC[NH+](C(C)(C)C)CC1 ZINC000104214922 176328977 /nfs/dbraw/zinc/32/89/77/176328977.db2.gz SNMGLSODZBPWBL-CHWSQXEVSA-N 2 0 239.407 1.258 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)CN(C[C@@H]2CC[N@H+](C)C2)C1 ZINC000049666499 176329302 /nfs/dbraw/zinc/32/93/02/176329302.db2.gz PLRWBAXDEAATJT-MGPQQGTHSA-N 2 0 239.407 1.116 10 0 BDAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000309461283 176396690 /nfs/dbraw/zinc/39/66/90/176396690.db2.gz RUAXIAVACHTWDB-JHJVBQTASA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H](CC[NH3+])C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000049828162 176627055 /nfs/dbraw/zinc/62/70/55/176627055.db2.gz IQAJWNIOYCTLRI-SNVBAGLBSA-N 2 0 236.315 1.490 10 0 BDAERP C[C@H](C[NH3+])CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000049254405 176658177 /nfs/dbraw/zinc/65/81/77/176658177.db2.gz RKCSPYGGDGNUBI-CYBMUJFWSA-N 2 0 241.423 1.635 10 0 BDAERP C[C@H](C[NH+]1CCCC1)NCCC[NH+]1CCCC1 ZINC000049332721 176664330 /nfs/dbraw/zinc/66/43/30/176664330.db2.gz MFEVVZVFGLIUFF-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP C[C@H](CN1CC[C@H](C[NH2+]C(C)(C)C)C1)[NH+](C)C ZINC000053034335 176669339 /nfs/dbraw/zinc/66/93/39/176669339.db2.gz PDXJMBOVVYRRME-CHWSQXEVSA-N 2 0 241.423 1.647 10 0 BDAERP C[C@H](c1ccc[nH]1)[NH+]1CCC(C[NH3+])CC1 ZINC000095068277 177035601 /nfs/dbraw/zinc/03/56/01/177035601.db2.gz XWEFAMMZBNAMMG-SNVBAGLBSA-N 2 0 207.321 1.746 10 0 BDAERP C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)CC[NH3+] ZINC000077334517 177038289 /nfs/dbraw/zinc/03/82/89/177038289.db2.gz WJVBVIAHNYRSIC-DGCLKSJQSA-N 2 0 222.332 1.389 10 0 BDAERP C[C@H](c1cnn(C)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010903 177052167 /nfs/dbraw/zinc/05/21/67/177052167.db2.gz LUJHHKVZWBGCPV-LLVKDONJSA-N 2 0 236.363 1.413 10 0 BDAERP C[C@H]1CCC[N@H+](Cc2cc(C[NH3+])co2)C1 ZINC000052381459 177099316 /nfs/dbraw/zinc/09/93/16/177099316.db2.gz CWWIMWJWOKWJGT-JTQLQIEISA-N 2 0 208.305 1.970 10 0 BDAERP C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037910084 177109048 /nfs/dbraw/zinc/10/90/48/177109048.db2.gz YFRDVBVZZIUONZ-FZMZJTMJSA-N 2 0 234.343 1.663 10 0 BDAERP C[C@H]1CCN(CCC[NH+](C)C)CC[C@H](C)[NH2+]1 ZINC000049666103 177161294 /nfs/dbraw/zinc/16/12/94/177161294.db2.gz JQQDRCHFENLOQP-STQMWFEESA-N 2 0 227.396 1.401 10 0 BDAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccnc1 ZINC000042427385 177200632 /nfs/dbraw/zinc/20/06/32/177200632.db2.gz YUCCHUAENAWAOM-NWDGAFQWSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@H]1C[N@H+](CC(C)(C)C[NH3+])CCCO1 ZINC000061934202 177245637 /nfs/dbraw/zinc/24/56/37/177245637.db2.gz DVIKXKQUCOBMBK-JTQLQIEISA-N 2 0 200.326 1.082 10 0 BDAERP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918606 177254681 /nfs/dbraw/zinc/25/46/81/177254681.db2.gz RHDWHPUSHFLURN-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000235368850 177292990 /nfs/dbraw/zinc/29/29/90/177292990.db2.gz KMWGHAQLRWSNJM-GRYCIOLGSA-N 2 0 212.337 1.095 10 0 BDAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccccn1 ZINC000049712386 177364463 /nfs/dbraw/zinc/36/44/63/177364463.db2.gz QKEDKEILPSHPDK-NWDGAFQWSA-N 2 0 219.332 1.436 10 0 BDAERP CO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000226014359 487644000 /nfs/dbraw/zinc/64/40/00/487644000.db2.gz QFMOTKWYQXVTSF-YNEHKIRRSA-N 2 0 226.364 1.628 10 0 BDAERP C[NH+](C)[C@@H]1c2ccccc2[C@H]2C[NH2+]C[C@H]21 ZINC000503713012 226333392 /nfs/dbraw/zinc/33/33/92/226333392.db2.gz LARBTBMLXIIAFQ-JHJVBQTASA-N 2 0 202.301 1.606 10 0 BDAERP C[C@H]([NH2+]CC1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000400328154 226340757 /nfs/dbraw/zinc/34/07/57/226340757.db2.gz CAXMVENLKQNRKP-CMPLNLGQSA-N 2 0 228.405 1.717 10 0 BDAERP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400348316 226341323 /nfs/dbraw/zinc/34/13/23/226341323.db2.gz LIBAFTHPGLYOIN-SRVKXCTJSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@@H]([NH2+]CCOCC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400356708 226341834 /nfs/dbraw/zinc/34/18/34/226341834.db2.gz OQHHQRDJEKZVKN-TZMCWYRMSA-N 2 0 240.391 1.781 10 0 BDAERP Cc1cccc(OCC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400435504 226343489 /nfs/dbraw/zinc/34/34/89/226343489.db2.gz LCRMZRAZUNWVKM-KGLIPLIRSA-N 2 0 248.370 1.961 10 0 BDAERP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400512115 226345453 /nfs/dbraw/zinc/34/54/53/226345453.db2.gz FQWSERZPJKDPBH-YUELXQCFSA-N 2 0 248.370 1.178 10 0 BDAERP Cc1cccnc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000404816217 229226411 /nfs/dbraw/zinc/22/64/11/229226411.db2.gz CCHDEJNDIXQJOT-ZDUSSCGKSA-N 2 0 233.359 1.664 10 0 BDAERP Cc1cc(CO)cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000252777194 487832502 /nfs/dbraw/zinc/83/25/02/487832502.db2.gz YLUXITIJVSIGEY-ZWNOBZJWSA-N 2 0 249.358 1.269 10 0 BDAERP COCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000666774682 487878501 /nfs/dbraw/zinc/87/85/01/487878501.db2.gz RHBSJFQIIJULFY-TUAOUCFPSA-N 2 0 214.353 1.389 10 0 BDAERP COc1cccc(C[NH2+]C(C)(C)CC[NH3+])c1 ZINC000258933661 322879926 /nfs/dbraw/zinc/87/99/26/322879926.db2.gz VQGPIYSBJAKKHO-UHFFFAOYSA-N 2 0 222.332 1.912 10 0 BDAERP C[C@H](O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000570515672 323061463 /nfs/dbraw/zinc/06/14/63/323061463.db2.gz NROIECFBRJLLSK-XQQFMLRXSA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000571157289 323136904 /nfs/dbraw/zinc/13/69/04/323136904.db2.gz BKFBDRVILPPKOP-MELADBBJSA-N 2 0 240.391 1.923 10 0 BDAERP CC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571908579 323495382 /nfs/dbraw/zinc/49/53/82/323495382.db2.gz CMBBDFJLRVEZIL-QJPTWQEYSA-N 2 0 214.353 1.125 10 0 BDAERP Cc1cc(CNCCC[NH+]2CCCC2)ccn1 ZINC000235821138 325289394 /nfs/dbraw/zinc/28/93/94/325289394.db2.gz QJCZOWWQWGHHKN-UHFFFAOYSA-N 2 0 233.359 1.966 10 0 BDAERP C[C@@H]([NH2+]CCCn1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000567603948 326227058 /nfs/dbraw/zinc/22/70/58/326227058.db2.gz DAFYOIOUQAEGPK-CHWSQXEVSA-N 2 0 236.363 1.251 10 0 BDAERP CC(C)[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567642384 326237223 /nfs/dbraw/zinc/23/72/23/326237223.db2.gz ROZRBJGAZYUOED-STQMWFEESA-N 2 0 227.396 1.304 10 0 BDAERP Cc1nnsc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000309734313 487479361 /nfs/dbraw/zinc/47/93/61/487479361.db2.gz FZVKELAEXKKMJX-SNVBAGLBSA-N 2 0 240.376 1.420 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]12 ZINC000662266581 487503782 /nfs/dbraw/zinc/50/37/82/487503782.db2.gz NFBAHLQUPCDFOJ-IKKURHKOSA-N 2 0 220.360 1.702 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000129982057 490528840 /nfs/dbraw/zinc/52/88/40/490528840.db2.gz SCBWFNQMDBHHAJ-AGIUHOORSA-N 2 0 226.364 1.628 10 0 BDAERP C[N@@H+](Cc1ccc(CO)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000133208235 491147691 /nfs/dbraw/zinc/14/76/91/491147691.db2.gz HSSCKKKQJKPOIO-OAHLLOKOSA-N 2 0 248.370 1.562 10 0 BDAERP C[C@@H](F)C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757124195 582499400 /nfs/dbraw/zinc/49/94/00/582499400.db2.gz BYRMXPLDMKPXLL-SNVBAGLBSA-N 2 0 200.301 1.562 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757148387 582532522 /nfs/dbraw/zinc/53/25/22/582532522.db2.gz NCKDNNCKCFGFAK-LLVKDONJSA-N 2 0 210.321 1.197 10 0 BDAERP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000400741198 533924042 /nfs/dbraw/zinc/92/40/42/533924042.db2.gz SVXUIZKCCNNXDO-CMPLNLGQSA-N 2 0 248.326 1.503 10 0 BDAERP CC(C)[N@H+](C)CCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400425272 528819070 /nfs/dbraw/zinc/81/90/70/528819070.db2.gz YITXVUWVORYLEW-QWHCGFSZSA-N 2 0 227.396 1.304 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400362137 528829426 /nfs/dbraw/zinc/82/94/26/528829426.db2.gz CJOXXCGROIAQQB-UPJWGTAASA-N 2 0 227.396 1.303 10 0 BDAERP CC(C)[NH+](CCN[C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400423064 528907085 /nfs/dbraw/zinc/90/70/85/528907085.db2.gz XRTQPLKRUBHLIU-ZIAGYGMSSA-N 2 0 241.423 1.693 10 0 BDAERP CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000400729223 529248479 /nfs/dbraw/zinc/24/84/79/529248479.db2.gz QEMCKECTDRAIEK-RVMXOQNASA-N 2 0 228.380 1.635 10 0 BDAERP CC(C)C[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266285 535106436 /nfs/dbraw/zinc/10/64/36/535106436.db2.gz UBEHJVYIUMZDPP-UHFFFAOYSA-N 2 0 247.386 1.923 10 0 BDAERP CCC(CC)[C@H](CN[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000086725777 535147095 /nfs/dbraw/zinc/14/70/95/535147095.db2.gz HQHAFAHFULLHCM-STQMWFEESA-N 2 0 227.396 1.304 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]([NH3+])CC(C)C ZINC000220960086 535589980 /nfs/dbraw/zinc/58/99/80/535589980.db2.gz NIIXHJVSBHQCOF-KBPBESRZSA-N 2 0 241.423 1.776 10 0 BDAERP COCCC[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757125481 582499913 /nfs/dbraw/zinc/49/99/13/582499913.db2.gz DVLCYWIMVUZCGQ-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP COCC[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757125574 582500584 /nfs/dbraw/zinc/50/05/84/582500584.db2.gz FCECGHDMALYVJJ-MELADBBJSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCCF ZINC000757130808 582504501 /nfs/dbraw/zinc/50/45/01/582504501.db2.gz OCKQSXDDTRLZSL-VXGBXAGGSA-N 2 0 214.328 1.953 10 0 BDAERP C[C@H]1CC[C@]2(CCCN2CCC[NH+](C)C)C[NH2+]1 ZINC000757134041 582510250 /nfs/dbraw/zinc/51/02/50/582510250.db2.gz VUMAWTKOJCVXOD-UONOGXRCSA-N 2 0 239.407 1.545 10 0 BDAERP CCOCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135088 582513624 /nfs/dbraw/zinc/51/36/24/582513624.db2.gz YIANCFIOXGPVIC-UONOGXRCSA-N 2 0 240.391 1.877 10 0 BDAERP C[C@H]1CCC[C@@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757145803 582528688 /nfs/dbraw/zinc/52/86/88/582528688.db2.gz ITJSANHGQJKLOV-CMPLNLGQSA-N 2 0 210.321 1.245 10 0 BDAERP CCC[C@H]1CC[NH2+][C@]2(CCC[N@H+](C)CC2)O1 ZINC000757153321 582537555 /nfs/dbraw/zinc/53/75/55/582537555.db2.gz UPZNATRRIKLKEM-QWHCGFSZSA-N 2 0 226.364 1.977 10 0 BDAERP [NH3+]Cc1ccc([C@H]2[NH2+]CCC[C@@H]2C[NH3+])cc1 ZINC000757217830 582561858 /nfs/dbraw/zinc/56/18/58/582561858.db2.gz SUYSEIQXWSAUBV-CHWSQXEVSA-N 3 0 219.332 1.145 10 0 BDAERP c1cn2c([nH+]1)NCC[C@H]2[C@H]1CCC[NH2+]C1 ZINC000232455879 585030878 /nfs/dbraw/zinc/03/08/78/585030878.db2.gz LPVYEHSIEQZYHK-UWVGGRQHSA-N 2 0 206.293 1.239 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757207054 586437413 /nfs/dbraw/zinc/43/74/13/586437413.db2.gz AWENXXRQDMHJNW-IDTSFGKNSA-N 2 0 247.386 1.779 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757209283 586438537 /nfs/dbraw/zinc/43/85/37/586438537.db2.gz DOEFWJXAFDYFRO-HONMWMINSA-N 3 0 233.359 1.533 10 0 BDAERP [NH3+]CC[C@H]1CC[C@@H](C2CCOCC2)[NH2+]C1 ZINC000757212110 586438792 /nfs/dbraw/zinc/43/87/92/586438792.db2.gz LRPHJNBSTHMUKG-PWSUYJOCSA-N 2 0 212.337 1.130 10 0 BDAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757210878 586438895 /nfs/dbraw/zinc/43/88/95/586438895.db2.gz HMRPGDSMKINLJG-DRABBMOASA-N 3 0 247.386 1.779 10 0 BDAERP COC(=O)[C@H]1CC[NH2+][C@H](c2cccc(C[NH3+])c2)C1 ZINC000757210844 586439053 /nfs/dbraw/zinc/43/90/53/586439053.db2.gz HLIGWGRKOWWAEH-STQMWFEESA-N 2 0 248.326 1.359 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([C@@H]2CC[NH2+][C@H](C)C2)[NH2+]1 ZINC000757228616 586442561 /nfs/dbraw/zinc/44/25/61/586442561.db2.gz DEZRIOFLGQIZCS-VEGXAWMVSA-N 3 0 225.380 1.090 10 0 BDAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cnn(C)c2)[NH2+]1 ZINC000757234063 586443088 /nfs/dbraw/zinc/44/30/88/586443088.db2.gz KFBQEDMKSFIPCW-SPFNVWMYSA-N 2 0 222.336 1.054 10 0 BDAERP [NH3+]Cc1cc([C@H]2C[NH2+]CC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757232594 586443229 /nfs/dbraw/zinc/44/32/29/586443229.db2.gz JBARQMYVQWGTBI-CABCVRRESA-N 3 0 245.370 1.427 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cnn(C)c2)[NH2+]1 ZINC000757234060 586443359 /nfs/dbraw/zinc/44/33/59/586443359.db2.gz KFBQEDMKSFIPCW-QCMRWSPLSA-N 2 0 222.336 1.054 10 0 BDAERP CC(C)(C)n1cc([C@H]2C[NH2+]C[C@H](C[NH3+])C2)cn1 ZINC000757237953 586443606 /nfs/dbraw/zinc/44/36/06/586443606.db2.gz QXFNNWFWUKRONR-WDEREUQCSA-N 2 0 236.363 1.290 10 0 BDAERP CCn1cc([C@@H]2CC[C@H](CC[NH3+])C[NH2+]2)cn1 ZINC000757241483 586444725 /nfs/dbraw/zinc/44/47/25/586444725.db2.gz XNGXTFYEEXAAPL-PWSUYJOCSA-N 2 0 222.336 1.293 10 0 BDAERP Cc1c(C[N@H+](C)C2CCC([NH3+])CC2)cnn1C ZINC000093651424 634578125 /nfs/dbraw/zinc/57/81/25/634578125.db2.gz RDXLTUPCHSYQPZ-UHFFFAOYSA-N 2 0 236.363 1.430 10 0 BDAERP C[N@H+](C[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250454974 635698050 /nfs/dbraw/zinc/69/80/50/635698050.db2.gz WIVZMAMJSFPVBS-ZGVCCVRISA-N 2 0 224.348 1.380 10 0 BDAERP Cc1c[nH+]ccc1NCCN1CCC([NH3+])CC1 ZINC000321291185 636620441 /nfs/dbraw/zinc/62/04/41/636620441.db2.gz IRDLWULKRMCKRN-UHFFFAOYSA-N 2 0 234.347 1.225 10 0 BDAERP C[C@H]1COCC[N@@H+]1CCCCCC[NH3+] ZINC000035776916 639923476 /nfs/dbraw/zinc/92/34/76/639923476.db2.gz BBZVDTFWSPTANJ-NSHDSACASA-N 2 0 200.326 1.226 10 0 BDAERP [NH3+]C1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000044677393 640453064 /nfs/dbraw/zinc/45/30/64/640453064.db2.gz AWZPUSCXGCTCSF-UONOGXRCSA-N 2 0 216.328 1.966 10 0 BDAERP CSCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000228877503 640901888 /nfs/dbraw/zinc/90/18/88/640901888.db2.gz ZSXSKTYKVNKCEB-GHMZBOCLSA-N 2 0 216.394 1.860 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132689 643257378 /nfs/dbraw/zinc/25/73/78/643257378.db2.gz RPUHSDKTTIIYPQ-MCIONIFRSA-N 2 0 240.391 1.733 10 0 BDAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000082475008 643320124 /nfs/dbraw/zinc/32/01/24/643320124.db2.gz AIQJTXZIMMJQMS-JQWIXIFHSA-N 2 0 212.337 1.225 10 0 BDAERP CC(=O)c1cccc([C@H]2C[C@@H]([NH3+])CC[NH2+]2)c1 ZINC000757211182 643371260 /nfs/dbraw/zinc/37/12/60/643371260.db2.gz GQZVSLOYEFREGN-QWHCGFSZSA-N 2 0 218.300 1.641 10 0 BDAERP Cc1cc(NCC2CC([NH3+])C2)nc(C)n1 ZINC000084447936 643663569 /nfs/dbraw/zinc/66/35/69/643663569.db2.gz GLODSSYLLBXEHR-UHFFFAOYSA-N 2 0 206.293 1.243 10 0 BDAERP COCC1CC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000713930051 712473780 /nfs/dbraw/zinc/47/37/80/712473780.db2.gz ZDEBDNPSONXBKF-PYNQCMFNSA-N 2 0 226.364 1.519 10 0 BDAERP CC1(C)CO[C@@H](CC[NH2+]C2CC[NH2+]CC2)C1 ZINC000717271355 712642025 /nfs/dbraw/zinc/64/20/25/712642025.db2.gz RZAOCMXNZYNXSR-LBPRGKRZSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719873056 712824840 /nfs/dbraw/zinc/82/48/40/712824840.db2.gz ONUJMEFTHBMYNM-ZJUUUORDSA-N 2 0 225.361 1.212 10 0 BDAERP CCC1([NH3+])CC[NH+](C2CCOCC2)CC1 ZINC000714753575 711522057 /nfs/dbraw/zinc/52/20/57/711522057.db2.gz FYNFNLZRRJOCRZ-UHFFFAOYSA-N 2 0 212.337 1.369 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2CCO[C@H]2C)CC1 ZINC000714753589 711522142 /nfs/dbraw/zinc/52/21/42/711522142.db2.gz KMPPPEHLSOTTLZ-WDEREUQCSA-N 2 0 212.337 1.367 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000722316263 711735051 /nfs/dbraw/zinc/73/50/51/711735051.db2.gz OGRMDCWCLBEULQ-HOAMVYINSA-N 2 0 238.375 1.804 10 0 BDAERP CC(C)[N@H+](CCC(N)=O)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244673632 711841888 /nfs/dbraw/zinc/84/18/88/711841888.db2.gz HSWUNAYQXCGCDC-TXEJJXNPSA-N 2 0 241.379 1.090 10 0 BDAERP CO[C@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)C12CCC2 ZINC000701483226 712024178 /nfs/dbraw/zinc/02/41/78/712024178.db2.gz OSKOLFBQUSDPAV-TUUUFIMRSA-N 2 0 238.375 1.626 10 0 BDAERP CC1(O)CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000705490405 712132272 /nfs/dbraw/zinc/13/22/72/712132272.db2.gz NFGMIGGDKISUIA-UHFFFAOYSA-N 2 0 226.364 1.540 10 0 BDAERP Cc1ccccc1OCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708841592 712200827 /nfs/dbraw/zinc/20/08/27/712200827.db2.gz UFHSLZLURUIKSD-KBPBESRZSA-N 2 0 248.370 1.900 10 0 BDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CSC1(C)C)[NH2+]2 ZINC000709344529 712220182 /nfs/dbraw/zinc/22/01/82/712220182.db2.gz JSQDOAPTQVFSOY-CSYMLDBXSA-N 2 0 240.416 1.999 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1C=CCC1)[C@H]1CCC[NH2+]C1 ZINC000711758198 712323783 /nfs/dbraw/zinc/32/37/83/712323783.db2.gz GLAPYRQRQWPAOT-XQQFMLRXSA-N 2 0 208.349 1.930 10 0 BDAERP C(C[C@@H]1C[C@H]1C1CC1)[NH2+]C1CC[NH2+]CC1 ZINC000712670247 712440684 /nfs/dbraw/zinc/44/06/84/712440684.db2.gz XWQRJIHPGSFYLU-YPMHNXCESA-N 2 0 208.349 1.764 10 0 BDAERP C=C/C=C\CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000713735417 712470789 /nfs/dbraw/zinc/47/07/89/712470789.db2.gz NYZJAHMDNJTXCX-XYOLNXMOSA-N 2 0 206.333 1.788 10 0 BDAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)nn1 ZINC000720578098 712853585 /nfs/dbraw/zinc/85/35/85/712853585.db2.gz BBDBBEMROFIVSI-IACUBPJLSA-N 2 0 246.358 1.263 10 0 BDAERP Cc1cc(C)cc(OC[C@H](CC[NH3+])[NH+](C)C)c1 ZINC000020401581 177912178 /nfs/dbraw/zinc/91/21/78/177912178.db2.gz ZCYODAZISJCBLF-ZDUSSCGKSA-N 2 0 236.359 1.961 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCSC2 ZINC000685955273 538900344 /nfs/dbraw/zinc/90/03/44/538900344.db2.gz XBOXELUUXRIFIF-UWVGGRQHSA-N 2 0 200.351 1.305 10 0 BDAERP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1CCCCC1(F)F ZINC000381724258 398254804 /nfs/dbraw/zinc/25/48/04/398254804.db2.gz RYIHNJBEZGSRDP-ZJUUUORDSA-N 2 0 236.306 1.063 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378756791 346824882 /nfs/dbraw/zinc/82/48/82/346824882.db2.gz YMSOLVLADSQKEY-FVCCEPFGSA-N 2 0 224.348 1.380 10 0 BDAERP CCC(CC)NC(=O)CN(CC)C[C@@H](C)C[NH3+] ZINC000042443254 168377035 /nfs/dbraw/zinc/37/70/35/168377035.db2.gz IFUHTZPTDYGBQI-NSHDSACASA-N 2 0 243.395 1.208 10 0 BDAERP CCC(CC)NC(=O)[C@@H](C)N(C)C[C@@H](C)C[NH3+] ZINC000042455852 168381492 /nfs/dbraw/zinc/38/14/92/168381492.db2.gz QOPLCPZIXJUHSU-WDEREUQCSA-N 2 0 243.395 1.206 10 0 BDAERP C/C(=[NH+]\c1cccc2c1CC[NH2+]C2)N(C)C ZINC000100220758 342712520 /nfs/dbraw/zinc/71/25/20/342712520.db2.gz XDNXOWUHYKFHDD-XNTDXEJSSA-N 2 0 217.316 1.944 10 0 BDAERP CCC(CC)[C@@H](C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000036170839 168399091 /nfs/dbraw/zinc/39/90/91/168399091.db2.gz RNIWVTRZSUSIHA-CQSZACIVSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000390511499 539022889 /nfs/dbraw/zinc/02/28/89/539022889.db2.gz ZRGZWEWTCXAPLN-WOPDTQHZSA-N 2 0 219.332 1.976 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)NCCc1occc12 ZINC000709974861 539027946 /nfs/dbraw/zinc/02/79/46/539027946.db2.gz FYTDNAMVLGKSRS-ZDUSSCGKSA-N 2 0 220.316 1.736 10 0 BDAERP C[C@@H]([NH2+]CCc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000580312134 346893144 /nfs/dbraw/zinc/89/31/44/346893144.db2.gz PAOIPFJALVXHIZ-TZMCWYRMSA-N 2 0 233.359 1.602 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000235215006 342997629 /nfs/dbraw/zinc/99/76/29/342997629.db2.gz DJZAFYHVWXYSLD-NEPJUHHUSA-N 2 0 226.364 1.391 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(C)(C)O ZINC000400425217 529666512 /nfs/dbraw/zinc/66/65/12/529666512.db2.gz YHKLFGGSOGHYAA-MXWKQRLJSA-N 2 0 214.353 1.124 10 0 BDAERP Cc1[nH+]ccc(N(C)C2CC([NH3+])C2)c1Cl ZINC000335658884 187231476 /nfs/dbraw/zinc/23/14/76/187231476.db2.gz CPXJOFRRTWOKNQ-UHFFFAOYSA-N 2 0 225.723 1.969 10 0 BDAERP C[C@@]1(C[NH+]2CCSCC2)CCC[C@H]1[NH3+] ZINC000134947992 343267878 /nfs/dbraw/zinc/26/78/78/343267878.db2.gz IIETVAFDIXSCNG-MNOVXSKESA-N 2 0 214.378 1.553 10 0 BDAERP CC(C)[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000036170608 187259491 /nfs/dbraw/zinc/25/94/91/187259491.db2.gz RMXMHDLFCKFIBE-UHFFFAOYSA-N 2 0 247.386 1.671 10 0 BDAERP CC(C)[N@H+](CC(N)=O)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000042428601 187265678 /nfs/dbraw/zinc/26/56/78/187265678.db2.gz GIAOHIQJFJLJAB-NEPJUHHUSA-N 2 0 241.379 1.090 10 0 BDAERP CC(C)[N@@H+]1CC[C@@](C[NH3+])(N2CCC[C@H]2C)C1 ZINC000045658692 187269381 /nfs/dbraw/zinc/26/93/81/187269381.db2.gz VKUAMUAJVMKIDF-OLZOCXBDSA-N 2 0 225.380 1.282 10 0 BDAERP CN([C@@H]1CCC[N@H+](C)C1)[C@@](C)(C[NH3+])C1CC1 ZINC000053205958 187271607 /nfs/dbraw/zinc/27/16/07/187271607.db2.gz IPHNKAYTLHIXTC-OLZOCXBDSA-N 2 0 225.380 1.140 10 0 BDAERP Cc1ccc(C[NH+]2CCN(CCC[NH3+])CC2)cc1 ZINC000019933703 178574768 /nfs/dbraw/zinc/57/47/68/178574768.db2.gz TWVHOUYIYMJDDS-UHFFFAOYSA-N 2 0 247.386 1.461 10 0 BDAERP CN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000053245396 187271160 /nfs/dbraw/zinc/27/11/60/187271160.db2.gz MNWWOGQJQFRRRW-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CN(CC1([NH3+])CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000053247627 187271418 /nfs/dbraw/zinc/27/14/18/187271418.db2.gz ILXVEOGVOUGCET-GFCCVEGCSA-N 2 0 225.380 1.284 10 0 BDAERP CN([C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]C1 ZINC000054135153 187272242 /nfs/dbraw/zinc/27/22/42/187272242.db2.gz IGRFCTBGUKBCNN-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP FC(F)[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409427158 343799980 /nfs/dbraw/zinc/79/99/80/343799980.db2.gz JSJDAUQTRGRWPM-QMMMGPOBSA-N 2 0 204.264 1.325 10 0 BDAERP CCOC[C@@H]1C[N@H+](CCC[NH3+])CC12CCCC2 ZINC000409433362 343832265 /nfs/dbraw/zinc/83/22/65/343832265.db2.gz MPTLJRUTTWFAAO-ZDUSSCGKSA-N 2 0 240.391 1.864 10 0 BDAERP CC(C)C[C@H]1C[N@H+](CCC[NH3+])CC[C@H]1O ZINC000409435540 343833802 /nfs/dbraw/zinc/83/38/02/343833802.db2.gz VIWHNHDQQDTRCI-NWDGAFQWSA-N 2 0 214.353 1.064 10 0 BDAERP COC[C@]12CCC[C@H]1C[N@H+](CCC[NH3+])C2 ZINC000409436262 343838225 /nfs/dbraw/zinc/83/82/25/343838225.db2.gz YXFZTBPJGIGWEJ-NWDGAFQWSA-N 2 0 212.337 1.084 10 0 BDAERP C1C[C@@H]([NH+]2CCCCC2)[C@@H](N2CC[NH2+]CC2)C1 ZINC000409439334 343846864 /nfs/dbraw/zinc/84/68/64/343846864.db2.gz GTZPOEMCPAMOOL-KGLIPLIRSA-N 2 0 237.391 1.299 10 0 BDAERP CN1CCSC[C@H]1c1ncc(C[NH3+])s1 ZINC000234363548 343954209 /nfs/dbraw/zinc/95/42/09/343954209.db2.gz KATCWZODLJJWET-QMMMGPOBSA-N 2 0 229.374 1.322 10 0 BDAERP CN(c1ccc(CC[NH3+])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000104278125 187292081 /nfs/dbraw/zinc/29/20/81/187292081.db2.gz HDHXNPJONFQRGI-OAHLLOKOSA-N 2 0 247.386 1.718 10 0 BDAERP CS[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000235122364 344804389 /nfs/dbraw/zinc/80/43/89/344804389.db2.gz WGHFUQMXIFQCRP-GARJFASQSA-N 2 0 214.378 1.551 10 0 BDAERP C(C[N@@H+]1CCCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000051919560 187299035 /nfs/dbraw/zinc/29/90/35/187299035.db2.gz JDQABHMQUWJCGB-LBPRGKRZSA-N 2 0 228.405 1.815 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000634998601 345198418 /nfs/dbraw/zinc/19/84/18/345198418.db2.gz IFVKXWFXJCPTSG-MXWKQRLJSA-N 2 0 214.378 1.266 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC000257354600 345775298 /nfs/dbraw/zinc/77/52/98/345775298.db2.gz YSTXFIPCYHRKNP-KYZUINATSA-N 2 0 211.334 1.503 10 0 BDAERP CC(C)[NH+](C[C@H]1CNC[C@H](C[NH3+])C1)C(C)C ZINC000669378799 537971381 /nfs/dbraw/zinc/97/13/81/537971381.db2.gz NVXJHVFTSYWIDC-QWHCGFSZSA-N 2 0 227.396 1.290 10 0 BDAERP Cc1c[nH+]ccc1N1CCC(CC[NH3+])CC1 ZINC000070047700 349965084 /nfs/dbraw/zinc/96/50/84/349965084.db2.gz NPJQMYVWHVSURA-UHFFFAOYSA-N 2 0 219.332 1.955 10 0 BDAERP Cc1ccc(C[C@H]2C[N@H+](C)CC[C@H]2[NH3+])cc1 ZINC000006780161 346461810 /nfs/dbraw/zinc/46/18/10/346461810.db2.gz ZXIGWTDJDQHKDK-UONOGXRCSA-N 2 0 218.344 1.817 10 0 BDAERP C[NH2+]C[C@@H]1CCCCN1[C@H]1CCSC1 ZINC000250698934 362816987 /nfs/dbraw/zinc/81/69/87/362816987.db2.gz CHEOXOMGKHTHHS-QWRGUYRKSA-N 2 0 214.378 1.566 10 0 BDAERP COCCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000571431593 323144599 /nfs/dbraw/zinc/14/45/99/323144599.db2.gz VLNWMJXXRDZCJP-QWHCGFSZSA-N 2 0 240.391 1.781 10 0 BDAERP C[C@H]([NH2+]CCc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000577267874 365909120 /nfs/dbraw/zinc/90/91/20/365909120.db2.gz PDKAGVVSBVSGFF-QWHCGFSZSA-N 2 0 233.359 1.602 10 0 BDAERP C[C@H]1C[C@H](CN2CC[NH2+]C[C@H]2C)[NH2+][C@@H](C)C1 ZINC000669381761 537995385 /nfs/dbraw/zinc/99/53/85/537995385.db2.gz UJYWZNMSAPNRBO-YVECIDJPSA-N 2 0 225.380 1.057 10 0 BDAERP CC[NH+]1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244642 537997975 /nfs/dbraw/zinc/99/79/75/537997975.db2.gz KZKQGGYLLIKNNG-UHFFFAOYSA-N 2 0 242.363 1.389 10 0 BDAERP CCSC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000596653603 348607071 /nfs/dbraw/zinc/60/70/71/348607071.db2.gz WGAFDCLSLGPWEG-QWRGUYRKSA-N 2 0 228.405 1.860 10 0 BDAERP C[N@H+](CC1([NH3+])CCCC1)[C@@H]1CCSC1 ZINC000037479616 348617689 /nfs/dbraw/zinc/61/76/89/348617689.db2.gz DLLCTIYKCYSFBZ-SNVBAGLBSA-N 2 0 214.378 1.695 10 0 BDAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1nccn1C ZINC000070008247 490194032 /nfs/dbraw/zinc/19/40/32/490194032.db2.gz TUYDACBJPIHZJQ-WHXUTIOJSA-N 2 0 222.336 1.341 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)C1C[NH2+]C1 ZINC000422717116 192440865 /nfs/dbraw/zinc/44/08/65/192440865.db2.gz OGIVESAQWRURFA-WCQYABFASA-N 2 0 227.396 1.160 10 0 BDAERP CC[C@@](C)([NH3+])CN1CCS[C@@H](C)C1 ZINC000220971169 350192235 /nfs/dbraw/zinc/19/22/35/350192235.db2.gz GMTCZSWVXWGTEP-VHSXEESVSA-N 2 0 202.367 1.551 10 0 BDAERP C[C@@H]1C[C@@]2(C[NH+]=C(N)O2)C[N@@H+]1Cc1ccccc1 ZINC000306826924 351136728 /nfs/dbraw/zinc/13/67/28/351136728.db2.gz AQSJBVPWSGXQTA-BXUZGUMPSA-N 2 0 245.326 1.365 10 0 BDAERP CC1(C)CCCN1C1(C[NH3+])CSC1 ZINC000306936886 351361040 /nfs/dbraw/zinc/36/10/40/351361040.db2.gz KCNDDLQEACWETQ-UHFFFAOYSA-N 2 0 200.351 1.305 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+]C[C@H]2C)CCS1 ZINC000307030639 351431872 /nfs/dbraw/zinc/43/18/72/351431872.db2.gz DNLWGMRFGHDXHV-MXWKQRLJSA-N 2 0 214.378 1.422 10 0 BDAERP C[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)CS1 ZINC000307233310 351699837 /nfs/dbraw/zinc/69/98/37/351699837.db2.gz CMQUMJYZNZVGPF-WPRPVWTQSA-N 2 0 200.351 1.222 10 0 BDAERP CS[C@@H]1CC[N@H+](C[C@@H]2C=C[C@H]([NH3+])C2)C1 ZINC000307254135 351789616 /nfs/dbraw/zinc/78/96/16/351789616.db2.gz WYTSJXAOXYVPJW-OUAUKWLOSA-N 2 0 212.362 1.327 10 0 BDAERP C[C@@H]1CS[C@@]2(CC[N@H+](C)C[C@H]2C)[NH2+]1 ZINC000307249785 351755463 /nfs/dbraw/zinc/75/54/63/351755463.db2.gz OWWGSVCZEPSJHL-OPRDCNLKSA-N 2 0 200.351 1.379 10 0 BDAERP [NH3+][C@H]1CC12CCC([N@@H+]1CCC[C@@H](CO)C1)CC2 ZINC000725270446 538101889 /nfs/dbraw/zinc/10/18/89/538101889.db2.gz NAFFQNMCSRCWNF-ZIHBUVQPSA-N 2 0 238.375 1.351 10 0 BDAERP CS[C@H]1CCC[N@@H+](C2CC([NH3+])C2)C1 ZINC000307352146 352258562 /nfs/dbraw/zinc/25/85/62/352258562.db2.gz BSEJFKSVHPVXFL-RTBKNWGFSA-N 2 0 200.351 1.304 10 0 BDAERP CCCCC[NH+]1CCC(O)(C[NH2+]C)CC1 ZINC000071519147 168695163 /nfs/dbraw/zinc/69/51/63/168695163.db2.gz DHZBKIZKALZWGS-UHFFFAOYSA-N 2 0 214.353 1.223 10 0 BDAERP CC1(C)C[N@H+](CC2(C[NH3+])CC2)CCS1 ZINC000133358384 353413387 /nfs/dbraw/zinc/41/33/87/353413387.db2.gz DVKWLYBYGQJBGG-UHFFFAOYSA-N 2 0 214.378 1.553 10 0 BDAERP NC(=[NH2+])NC(=[NH2+])SCc1ccccc1 ZINC000014966630 181190067 /nfs/dbraw/zinc/19/00/67/181190067.db2.gz AGFAHUNVBVPOFM-UHFFFAOYSA-N 2 0 208.290 1.338 10 0 BDAERP NC(=[NH2+])c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049333021 181195084 /nfs/dbraw/zinc/19/50/84/181195084.db2.gz WPXPIOQWIVMGDF-UHFFFAOYSA-N 2 0 247.342 1.835 10 0 BDAERP [NH2+]=C1c2ccccc2CN1[C@H]1C[NH+]2CCC1CC2 ZINC000020078821 181207635 /nfs/dbraw/zinc/20/76/35/181207635.db2.gz XPLBROORWQXOFF-AWEZNQCLSA-N 2 0 241.338 1.922 10 0 BDAERP [NH3+]CC1(C[NH2+]Cc2ccccc2)CCC1 ZINC000168528897 355879140 /nfs/dbraw/zinc/87/91/40/355879140.db2.gz XPYIRBJXWYWQAJ-UHFFFAOYSA-N 2 0 204.317 1.905 10 0 BDAERP C[NH+](C)[C@H]1CCCN(CC23CCC(CC2)[NH2+]3)C1 ZINC000675056668 538478725 /nfs/dbraw/zinc/47/87/25/538478725.db2.gz UYTLHQVLXCDRIZ-MOKVOYLWSA-N 2 0 237.391 1.297 10 0 BDAERP CCC[N@H+](C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080510 538519609 /nfs/dbraw/zinc/51/96/09/538519609.db2.gz SGOZIZRFZGRWIC-GHMZBOCLSA-N 2 0 212.337 1.225 10 0 BDAERP CO[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000389735335 357022084 /nfs/dbraw/zinc/02/20/84/357022084.db2.gz UGGZIKUHPCUSPK-WRWGMCAJSA-N 2 0 214.353 1.327 10 0 BDAERP Cc1[nH+]ccc(N[C@H]2C[NH2+]CC[C@H]2C)c1Cl ZINC000389750798 357025165 /nfs/dbraw/zinc/02/51/65/357025165.db2.gz KSSXOADMJVUXOD-KCJUWKMLSA-N 2 0 239.750 1.875 10 0 BDAERP [NH3+]Cc1csc(-c2cccc(C[NH3+])c2)n1 ZINC000685948257 538890491 /nfs/dbraw/zinc/89/04/91/538890491.db2.gz DOPRTWXPMZSGLM-UHFFFAOYSA-N 2 0 219.313 1.728 10 0 BDAERP C[C@@H]1CCC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950935 538894612 /nfs/dbraw/zinc/89/46/12/538894612.db2.gz IPOPEUXOCIBEIZ-NDBYEHHHSA-N 2 0 210.365 1.962 10 0 BDAERP [NH3+]CCCCCC[NH+]1CCC2(CC1)OCCO2 ZINC000385385113 357757289 /nfs/dbraw/zinc/75/72/89/357757289.db2.gz PVEUFUWPPNLHRJ-UHFFFAOYSA-N 2 0 242.363 1.344 10 0 BDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C)o1 ZINC000234802059 357830775 /nfs/dbraw/zinc/83/07/75/357830775.db2.gz JGINEWINQCGPLN-RYUDHWBXSA-N 2 0 240.347 1.993 10 0 BDAERP C[C@H](CC[NH+](C)C)N[C@@H]1CCC[NH2+]CC1 ZINC000168739286 134247610 /nfs/dbraw/zinc/24/76/10/134247610.db2.gz DLIRHVAOVDOZKZ-VXGBXAGGSA-N 3 0 213.369 1.058 10 0 BDAERP [NH3+]C1CC[NH+]([C@H]2CCCC[C@@H]2F)CC1 ZINC000584636442 358321073 /nfs/dbraw/zinc/32/10/73/358321073.db2.gz HKYCSSLAOJZWDS-QWRGUYRKSA-N 2 0 200.301 1.690 10 0 BDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000226238754 358336159 /nfs/dbraw/zinc/33/61/59/358336159.db2.gz CTTVTHSRUCHPLM-ZIAGYGMSSA-N 2 0 240.391 1.611 10 0 BDAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCS[C@@H]2C)C1 ZINC000300352036 358970997 /nfs/dbraw/zinc/97/09/97/358970997.db2.gz GXTRRXANZGVJFB-ZDCRXTMVSA-N 2 0 214.378 1.550 10 0 BDAERP CNC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000306395373 359760648 /nfs/dbraw/zinc/76/06/48/359760648.db2.gz JKGJRRSDMLPART-YPMHNXCESA-N 2 0 246.358 1.393 10 0 BDAERP CC(C)[N@H+](C)CCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578638178 366615469 /nfs/dbraw/zinc/61/54/69/366615469.db2.gz BGWVIAVLQRROBT-KGLIPLIRSA-N 3 0 241.423 1.694 10 0 BDAERP [NH3+][C@H]1CC[C@@H](CC[NH+]2CCSCC2)C1 ZINC000306433509 359940371 /nfs/dbraw/zinc/94/03/71/359940371.db2.gz XASPMUQOSXNVNZ-QWRGUYRKSA-N 2 0 214.378 1.553 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(Br)cc1F ZINC000306620656 361210652 /nfs/dbraw/zinc/21/06/52/361210652.db2.gz VBTASTMWYZDTOS-VIFPVBQESA-N 2 0 247.111 1.937 10 0 BDAERP [NH3+]C1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000629549606 361441522 /nfs/dbraw/zinc/44/15/22/361441522.db2.gz SOHUCWQWUJYFEO-TUUUFIMRSA-N 2 0 224.348 1.413 10 0 BDAERP [NH3+]C1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000042825221 181341067 /nfs/dbraw/zinc/34/10/67/181341067.db2.gz OPGXXFUDPOSKIH-WXRRBKDZSA-N 2 0 226.364 1.663 10 0 BDAERP [NH3+]C1CCC([NH2+]CC(=O)c2ccccn2)CC1 ZINC000095077203 181341109 /nfs/dbraw/zinc/34/11/09/181341109.db2.gz JPMHHLKOXLFJQE-UHFFFAOYSA-N 2 0 233.315 1.124 10 0 BDAERP [NH3+]C1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC000091019266 181344568 /nfs/dbraw/zinc/34/45/68/181344568.db2.gz KYTBLDICQZXSPO-UHFFFAOYSA-N 2 0 230.315 1.486 10 0 BDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCC1 ZINC000049333957 181344593 /nfs/dbraw/zinc/34/45/93/181344593.db2.gz FGRYLUWYFBTGTN-AGUYFDCRSA-N 2 0 237.391 1.426 10 0 BDAERP CO[C@@H]1CN(CCCCCF)[C@@](C)(C[NH3+])C1 ZINC000630368214 364084432 /nfs/dbraw/zinc/08/44/32/364084432.db2.gz QZBYSDCTECCHKT-NWDGAFQWSA-N 2 0 232.343 1.564 10 0 BDAERP C[C@H](C[NH+](C)C)NC1=[NH+]C[C@@H](C)CS1 ZINC000130677932 364023934 /nfs/dbraw/zinc/02/39/34/364023934.db2.gz NQZZWCXAQMYTNE-RKDXNWHRSA-N 2 0 215.366 1.265 10 0 BDAERP [NH3+]CC1(C[NH+]2CCCCCC2)CCOCC1 ZINC000052180831 181358838 /nfs/dbraw/zinc/35/88/38/181358838.db2.gz RGGWYBXKXCMPDZ-UHFFFAOYSA-N 2 0 226.364 1.618 10 0 BDAERP [NH3+]CC1([N@@H+]2CCCOCC2)CCCCCC1 ZINC000061916642 181359934 /nfs/dbraw/zinc/35/99/34/181359934.db2.gz RENLVPBFPUTLKF-UHFFFAOYSA-N 2 0 226.364 1.760 10 0 BDAERP Cc1c[nH+]ccc1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000630533375 364225704 /nfs/dbraw/zinc/22/57/04/364225704.db2.gz OYCOMQQQFWNDPR-WDEREUQCSA-N 2 0 205.305 1.364 10 0 BDAERP C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000573830810 364926453 /nfs/dbraw/zinc/92/64/53/364926453.db2.gz CIBMVDYSMZREAX-DCAQKATOSA-N 2 0 202.317 1.712 10 0 BDAERP CC[C@@H]1C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C[C@H](CC)O1 ZINC000675054323 541434058 /nfs/dbraw/zinc/43/40/58/541434058.db2.gz RYHWXEQAKKPQEB-ROTMJFINSA-N 2 0 226.364 1.613 10 0 BDAERP [NH3+]CCN1CCC[N@H+](CC2CCCC2)CC1 ZINC000042374981 181391684 /nfs/dbraw/zinc/39/16/84/181391684.db2.gz VSZNLZSIEYANEM-UHFFFAOYSA-N 2 0 225.380 1.143 10 0 BDAERP CO[C@H](C)[C@H](C)[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000252943372 368168358 /nfs/dbraw/zinc/16/83/58/368168358.db2.gz KMGBGAOPMDHDBA-YTWAJWBKSA-N 2 0 200.326 1.079 10 0 BDAERP Cc1cc(N2CCC(CC[NH3+])CC2)cc[nH+]1 ZINC000114585198 368944775 /nfs/dbraw/zinc/94/47/75/368944775.db2.gz CJQZUFDWKRINTF-UHFFFAOYSA-N 2 0 219.332 1.955 10 0 BDAERP C[C@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836569 369077790 /nfs/dbraw/zinc/07/77/90/369077790.db2.gz BRDXYKONKARCCD-ZFWWWQNUSA-N 2 0 248.370 1.730 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccncc2)C[C@@H]1C[NH3+] ZINC000631838710 369122132 /nfs/dbraw/zinc/12/21/32/369122132.db2.gz TXUDBDPKQUAAEV-PWSUYJOCSA-N 2 0 205.305 1.108 10 0 BDAERP CC(C)CCOCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841834 369358667 /nfs/dbraw/zinc/35/86/67/369358667.db2.gz QPKXXJWCSCLMEJ-STQMWFEESA-N 2 0 228.380 1.576 10 0 BDAERP [NH3+]C[C@H]1CCCC[N@@H+](C2CSC2)C1 ZINC000215781574 371629082 /nfs/dbraw/zinc/62/90/82/371629082.db2.gz YLGDKIBAJCRUIE-SECBINFHSA-N 2 0 200.351 1.163 10 0 BDAERP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000216495743 371759679 /nfs/dbraw/zinc/75/96/79/371759679.db2.gz FIYXWAYSURVQEF-VHSXEESVSA-N 2 0 200.351 1.163 10 0 BDAERP C[C@H]1SCC[N@H+](C2CC([NH3+])C2)[C@H]1C ZINC000132791234 371923629 /nfs/dbraw/zinc/92/36/29/371923629.db2.gz SEDJDUKQKPQYHK-AFWXGSBKSA-N 2 0 200.351 1.302 10 0 BDAERP CC[C@@H](C(N)=[NH2+])N1CCSC(C)(C)C1 ZINC000133322370 372022651 /nfs/dbraw/zinc/02/26/51/372022651.db2.gz HBKGHVNJMKYDIG-QMMMGPOBSA-N 2 0 215.366 1.528 10 0 BDAERP C([C@@H]1CSCCS1)N1CCC[NH2+]CC1 ZINC000229652277 372177674 /nfs/dbraw/zinc/17/76/74/372177674.db2.gz SSZKAYMTGOLEAW-SNVBAGLBSA-N 2 0 232.418 1.130 10 0 BDAERP Cc1cncc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631837124 372627873 /nfs/dbraw/zinc/62/78/73/372627873.db2.gz NCBNXNJQVQHGSW-AAEUAGOBSA-N 2 0 219.332 1.417 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000631840463 372636880 /nfs/dbraw/zinc/63/68/80/372636880.db2.gz SPYQNDBJQUSXSG-MNOVXSKESA-N 2 0 205.305 1.108 10 0 BDAERP CC(C)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862984 372665059 /nfs/dbraw/zinc/66/50/59/372665059.db2.gz VWLFPDQRYUKKSQ-NSHDSACASA-N 2 0 214.353 1.077 10 0 BDAERP OC[C@@H](C1CCCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117374 183103564 /nfs/dbraw/zinc/10/35/64/183103564.db2.gz MERPQIGQKRGEKK-ZDUSSCGKSA-N 2 0 226.364 1.223 10 0 BDAERP CCCN(C)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037098085 169066181 /nfs/dbraw/zinc/06/61/81/169066181.db2.gz FOUGCSJVEDSUKC-FUNVUKJBSA-N 2 0 225.380 1.282 10 0 BDAERP CCC[N@H+]([C@H](C)CC(=O)OC)C1CC[NH2+]CC1 ZINC000037539199 169092135 /nfs/dbraw/zinc/09/21/35/169092135.db2.gz GZTSQXJHIFGEQU-LLVKDONJSA-N 2 0 242.363 1.402 10 0 BDAERP CCC[N@H+](CCC(=O)N(C)CCC[NH3+])C1CC1 ZINC000037096768 169138678 /nfs/dbraw/zinc/13/86/78/169138678.db2.gz MQWHVXXCONEBRY-UHFFFAOYSA-N 2 0 241.379 1.058 10 0 BDAERP CCC[NH+](CCC)CC1(C[NH3+])CCOCC1 ZINC000052180913 169147514 /nfs/dbraw/zinc/14/75/14/169147514.db2.gz NWRFSWNZLOJTHA-UHFFFAOYSA-N 2 0 228.380 1.864 10 0 BDAERP CCCN(CC[NH+](C)C)Cc1ccc(C[NH3+])o1 ZINC000052544186 169158642 /nfs/dbraw/zinc/15/86/42/169158642.db2.gz MDLXYUDIMUXQBV-UHFFFAOYSA-N 2 0 239.363 1.512 10 0 BDAERP CCCN(CC[NH2+][C@H](C)C(C)C)CC[NH+](C)C ZINC000053436101 169160264 /nfs/dbraw/zinc/16/02/64/169160264.db2.gz JUVFNJLEJAFLPT-CQSZACIVSA-N 2 0 243.439 1.894 10 0 BDAERP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071314988 169181952 /nfs/dbraw/zinc/18/19/52/169181952.db2.gz ZQWHQGUVLKDTEG-ZIAGYGMSSA-N 2 0 237.391 1.297 10 0 BDAERP CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073654028 169208045 /nfs/dbraw/zinc/20/80/45/169208045.db2.gz MPZDMQJLKSABTF-OLZOCXBDSA-N 2 0 225.380 1.012 10 0 BDAERP c1cc(C[NH2+]CC2CC[NH2+]CC2)cs1 ZINC000040720693 183350066 /nfs/dbraw/zinc/35/00/66/183350066.db2.gz SGWVFDRYTCMVJO-UHFFFAOYSA-N 2 0 210.346 1.837 10 0 BDAERP CCC[NH2+]CC[C@@H](C)N1CC[NH+](CCC)CC1 ZINC000052422111 169260752 /nfs/dbraw/zinc/26/07/52/169260752.db2.gz QTRVYGXDHHNYGT-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]C[C@@H](C)OCC[NH+](CC)CC ZINC000052671607 169261378 /nfs/dbraw/zinc/26/13/78/169261378.db2.gz ZGNDDJJZOKQHFE-GFCCVEGCSA-N 2 0 216.369 1.733 10 0 BDAERP CCC[NH2+]C[C@@H](C)N(CC[NH+](C)C)CC(C)C ZINC000052503263 169261382 /nfs/dbraw/zinc/26/13/82/169261382.db2.gz PQFMVIYSQZGKLQ-CQSZACIVSA-N 2 0 243.439 1.894 10 0 BDAERP CCC[NH2+]C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515196 169263113 /nfs/dbraw/zinc/26/31/13/169263113.db2.gz ZWYNBUOWDACDIH-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+][C@@H](C)CCN(C)CC[NH+]1CCCC1 ZINC000063051864 169274698 /nfs/dbraw/zinc/27/46/98/169274698.db2.gz WAYCSTHWOWKAPR-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+][C@@H]1CCN(CCC[NH+](C)C)C[C@@H]1C ZINC000049710813 169282076 /nfs/dbraw/zinc/28/20/76/169282076.db2.gz GZOVRLNKKPRKDQ-UONOGXRCSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](CC)CCO ZINC000053858510 169282361 /nfs/dbraw/zinc/28/23/61/169282361.db2.gz ZBQPPKUBDOXSCS-ZIAGYGMSSA-N 2 0 242.407 1.859 10 0 BDAERP CCC[C@@H](C[NH3+])N1CC[NH+](C[C@H](C)CC)CC1 ZINC000104068089 169383591 /nfs/dbraw/zinc/38/35/91/169383591.db2.gz GFYBOTDSUXQTSP-KGLIPLIRSA-N 2 0 241.423 1.778 10 0 BDAERP CCC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188736340 169390103 /nfs/dbraw/zinc/39/01/03/169390103.db2.gz KXLULBSGRILKJE-CYBMUJFWSA-N 2 0 247.342 1.033 10 0 BDAERP [NH3+][C@H]1CCCC[C@@H]1C[NH+]1CCSCC1 ZINC000060743756 383840053 /nfs/dbraw/zinc/84/00/53/383840053.db2.gz XAWAUWTUQHTTTN-MNOVXSKESA-N 2 0 214.378 1.553 10 0 BDAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000068590919 384002186 /nfs/dbraw/zinc/00/21/86/384002186.db2.gz CZRLDAXSBGABDL-UONOGXRCSA-N 2 0 218.344 1.946 10 0 BDAERP CN1CCSC[C@@H]1c1nc(C[NH3+])cs1 ZINC000234331058 384057985 /nfs/dbraw/zinc/05/79/85/384057985.db2.gz KFDASGBIXJNDNA-MRVPVSSYSA-N 2 0 229.374 1.322 10 0 BDAERP C[C@H]1C[C@H](NC2=[NH+]CCS2)CC[N@@H+]1C ZINC000158710781 384129325 /nfs/dbraw/zinc/12/93/25/384129325.db2.gz LMCODEDACMHMAB-DTWKUNHWSA-N 2 0 213.350 1.162 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCC[NH3+] ZINC000092630135 384229425 /nfs/dbraw/zinc/22/94/25/384229425.db2.gz OQIVCHDLRAQTRU-GFCCVEGCSA-N 2 0 241.379 1.058 10 0 BDAERP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400419761 384262161 /nfs/dbraw/zinc/26/21/61/384262161.db2.gz WOOKRZCMNBKLTJ-FPMFFAJLSA-N 2 0 230.355 1.914 10 0 BDAERP Cn1ccc(C[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000275433729 384374930 /nfs/dbraw/zinc/37/49/30/384374930.db2.gz FKPGRDAADWWQMC-LBPRGKRZSA-N 2 0 244.342 1.574 10 0 BDAERP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000335659922 384461611 /nfs/dbraw/zinc/46/16/11/384461611.db2.gz AMCQFBGLYBUWBG-VIFPVBQESA-N 2 0 218.291 1.763 10 0 BDAERP NC[C@@]1([NH+]2CCCC2)CCCSC1 ZINC000061589828 384519879 /nfs/dbraw/zinc/51/98/79/384519879.db2.gz ZQECYILXRYFKCO-JTQLQIEISA-N 2 0 200.351 1.307 10 0 BDAERP CCC[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)OC ZINC000356317496 384626441 /nfs/dbraw/zinc/62/64/41/384626441.db2.gz DXENGOWTEQOAIK-NWDGAFQWSA-N 2 0 214.353 1.533 10 0 BDAERP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000647551805 384753995 /nfs/dbraw/zinc/75/39/95/384753995.db2.gz NFUJICSCQDGWMR-XQQFMLRXSA-N 2 0 224.348 1.097 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000259254802 384879959 /nfs/dbraw/zinc/87/99/59/384879959.db2.gz IINWXLCHOQHERU-VIFPVBQESA-N 2 0 202.660 1.828 10 0 BDAERP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398335027 384917993 /nfs/dbraw/zinc/91/79/93/384917993.db2.gz CMSPYLSILLZWSP-NSHDSACASA-N 2 0 222.307 1.833 10 0 BDAERP CC(C)[C@](C)(C[NH3+])[N@@H+]1CCCOCC1 ZINC000061916507 385004026 /nfs/dbraw/zinc/00/40/26/385004026.db2.gz UCRKOCHMPSENAX-NSHDSACASA-N 2 0 200.326 1.082 10 0 BDAERP [NH3+]C[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000044528082 385310387 /nfs/dbraw/zinc/31/03/87/385310387.db2.gz AUSQBAHHDALNEV-JTQLQIEISA-N 2 0 214.378 1.553 10 0 BDAERP c1[nH+]c([C@H]2CCC[NH2+]C2)n2ccccc12 ZINC000020263368 385296914 /nfs/dbraw/zinc/29/69/14/385296914.db2.gz FRDIELZLKCZKLV-JTQLQIEISA-N 2 0 201.273 1.801 10 0 BDAERP C([C@H]1CCC[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000169726661 385418345 /nfs/dbraw/zinc/41/83/45/385418345.db2.gz DXBDJDMVMPNVIN-DGCLKSJQSA-N 2 0 208.349 1.718 10 0 BDAERP CCN1CC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000414539786 385706217 /nfs/dbraw/zinc/70/62/17/385706217.db2.gz FAVBIVIDOHZLCN-ZDUSSCGKSA-N 2 0 244.342 1.747 10 0 BDAERP Cc1cnn(CC[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000336647144 386645362 /nfs/dbraw/zinc/64/53/62/386645362.db2.gz FHNLGLKSNNXWIC-GFCCVEGCSA-N 2 0 224.352 1.299 10 0 BDAERP Cc1cc([C@@H]([NH3+])CCCC[NH3+])ccc1O ZINC000575438099 387112883 /nfs/dbraw/zinc/11/28/83/387112883.db2.gz FYZXOMSWOJWWKC-NSHDSACASA-N 2 0 208.305 1.829 10 0 BDAERP COc1ccc([C@H]([NH3+])CCCC[NH3+])cc1O ZINC000575438767 387119709 /nfs/dbraw/zinc/11/97/09/387119709.db2.gz IUHHTYVORSNGLM-SNVBAGLBSA-N 2 0 224.304 1.530 10 0 BDAERP COc1cc([C@H]([NH3+])CCC[NH3+])ccc1C ZINC000575438975 387121445 /nfs/dbraw/zinc/12/14/45/387121445.db2.gz HMHATCWYOVSYBP-LLVKDONJSA-N 2 0 208.305 1.742 10 0 BDAERP COc1cccc([C@@H]([NH3+])CCC[NH3+])c1F ZINC000575439170 387121613 /nfs/dbraw/zinc/12/16/13/387121613.db2.gz QDYMTIRMVQQEKJ-VIFPVBQESA-N 2 0 212.268 1.573 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1cccc2c1OCO2 ZINC000575440377 387133790 /nfs/dbraw/zinc/13/37/90/387133790.db2.gz RDQOWFIQTNGPMT-VIFPVBQESA-N 2 0 208.261 1.154 10 0 BDAERP COc1cccc([C@@H]([NH3+])CCCC[NH3+])c1 ZINC000575440427 387133823 /nfs/dbraw/zinc/13/38/23/387133823.db2.gz UTINOSWIWZEUCI-LBPRGKRZSA-N 2 0 208.305 1.824 10 0 BDAERP C[NH2+][C@H]1CO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575508170 387369826 /nfs/dbraw/zinc/36/98/26/387369826.db2.gz OOMUTXJGFMZXGF-HUUCEWRRSA-N 2 0 246.354 1.639 10 0 BDAERP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000396923426 387515135 /nfs/dbraw/zinc/51/51/35/387515135.db2.gz POKPFQBOBZAMTQ-SFYZADRCSA-N 2 0 210.243 1.526 10 0 BDAERP CC[NH+](CC)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000119656237 387556083 /nfs/dbraw/zinc/55/60/83/387556083.db2.gz VGHWQMZJUYDPCV-KBPBESRZSA-N 2 0 239.407 1.497 10 0 BDAERP C[C@H](NCC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643456762 387692292 /nfs/dbraw/zinc/69/22/92/387692292.db2.gz WWRGXHUBBQVPMT-STQMWFEESA-N 2 0 225.380 1.060 10 0 BDAERP C[C@@H](NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643456759 387692376 /nfs/dbraw/zinc/69/23/76/387692376.db2.gz WWRGXHUBBQVPMT-CHWSQXEVSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000422796055 387697037 /nfs/dbraw/zinc/69/70/37/387697037.db2.gz XLMVFAUOMCRWNY-DOMZBBRYSA-N 2 0 247.386 1.487 10 0 BDAERP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000422830296 387724512 /nfs/dbraw/zinc/72/45/12/387724512.db2.gz CKPPNIUNXSKTIJ-FQUUOJAGSA-N 2 0 239.407 1.447 10 0 BDAERP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CCC[NH2+]CC1 ZINC000129111409 387764711 /nfs/dbraw/zinc/76/47/11/387764711.db2.gz PMHVNMUJBZTBTL-KBPBESRZSA-N 2 0 241.423 1.694 10 0 BDAERP [NH3+][C@H]1CCC[C@@H](C[NH+]2CCSCC2)C1 ZINC000070503083 387840444 /nfs/dbraw/zinc/84/04/44/387840444.db2.gz WWLWTMVMCKIWHH-MNOVXSKESA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]([NH2+]CC1(CO)CCC1)[C@H]1CCC[NH2+]C1 ZINC000643480619 387936181 /nfs/dbraw/zinc/93/61/81/387936181.db2.gz IBQXRAVOAAXYBA-NEPJUHHUSA-N 2 0 226.364 1.127 10 0 BDAERP c1ccc(OCCCN[C@@H]2CC[NH2+]C2)cc1 ZINC000086729761 388108259 /nfs/dbraw/zinc/10/82/59/388108259.db2.gz JMDQFFRZLLJJRU-GFCCVEGCSA-N 2 0 220.316 1.407 10 0 BDAERP C[C@@H]([NH2+]Cc1cccc(CO)c1)[C@H]1CCC[NH2+]C1 ZINC000520564989 256674423 /nfs/dbraw/zinc/67/44/23/256674423.db2.gz XGJMBCHRASTUCS-DOMZBBRYSA-N 2 0 248.370 1.657 10 0 BDAERP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000307513251 388424644 /nfs/dbraw/zinc/42/46/44/388424644.db2.gz YSOWIHGUSLBKBL-OUAUKWLOSA-N 2 0 214.378 1.470 10 0 BDAERP C[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631842926 388610761 /nfs/dbraw/zinc/61/07/61/388610761.db2.gz HMBYCCJLCRYWGS-OLZOCXBDSA-N 2 0 234.343 1.592 10 0 BDAERP Cc1ncccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000530217228 388630466 /nfs/dbraw/zinc/63/04/66/388630466.db2.gz AHDBMHQOEYSORO-YPMHNXCESA-N 2 0 219.332 1.478 10 0 BDAERP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000530225577 388635937 /nfs/dbraw/zinc/63/59/37/388635937.db2.gz OMRICHGTYBYXQR-QUGYJXMDSA-N 2 0 240.391 1.776 10 0 BDAERP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000564714128 388886253 /nfs/dbraw/zinc/88/62/53/388886253.db2.gz VRPTVORUFPEGSU-KBPBESRZSA-N 2 0 247.386 1.910 10 0 BDAERP C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564824415 388890446 /nfs/dbraw/zinc/89/04/46/388890446.db2.gz NAGPEIMCRHBBGC-UONOGXRCSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564826521 388891629 /nfs/dbraw/zinc/89/16/29/388891629.db2.gz RVFPVBRUODNSJV-CHWSQXEVSA-N 2 0 240.391 1.517 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566090799 388984733 /nfs/dbraw/zinc/98/47/33/388984733.db2.gz OWDXABWRDAZORL-YNEHKIRRSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+][C@@H]1COCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000566088987 388986147 /nfs/dbraw/zinc/98/61/47/388986147.db2.gz XZEAJAATBPJTHD-QJPTWQEYSA-N 2 0 226.364 1.389 10 0 BDAERP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400535361 533454605 /nfs/dbraw/zinc/45/46/05/533454605.db2.gz SZASJZLADMKWLG-PWSUYJOCSA-N 2 0 222.307 1.913 10 0 BDAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400736784 533401029 /nfs/dbraw/zinc/40/10/29/533401029.db2.gz KCQIJEWOSPBMOP-OLZOCXBDSA-N 2 0 234.343 1.653 10 0 BDAERP C[C@@H]([NH2+]Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400573348 533463539 /nfs/dbraw/zinc/46/35/39/533463539.db2.gz OINGIQONDQFYAW-NXEZZACHSA-N 2 0 210.346 1.836 10 0 BDAERP CSC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400432175 533511366 /nfs/dbraw/zinc/51/13/66/533511366.db2.gz CCUYECKPFQLKSM-VHSXEESVSA-N 2 0 214.378 1.470 10 0 BDAERP COc1cccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400808264 533517066 /nfs/dbraw/zinc/51/70/66/533517066.db2.gz XEPBZJFCGCUFSH-DGCLKSJQSA-N 2 0 234.343 1.783 10 0 BDAERP CC[C@H](C)C[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000050425209 132358908 /nfs/dbraw/zinc/35/89/08/132358908.db2.gz VFGINMNZGIYJII-LBPRGKRZSA-N 2 0 248.374 1.832 10 0 BDAERP C[C@H]1CC[C@H](C[NH3+])CN1c1cc[nH+]cc1 ZINC000053704329 132363091 /nfs/dbraw/zinc/36/30/91/132363091.db2.gz FIMGAULHRMOBKA-WDEREUQCSA-N 2 0 205.305 1.645 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc[nH+]cc1 ZINC000053704331 132363236 /nfs/dbraw/zinc/36/32/36/132363236.db2.gz FIMGAULHRMOBKA-MNOVXSKESA-N 2 0 205.305 1.645 10 0 BDAERP C[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000221432301 134324253 /nfs/dbraw/zinc/32/42/53/134324253.db2.gz WHTVQZKFMLVFOV-STQMWFEESA-N 2 0 226.364 1.175 10 0 BDAERP CCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226858815 134370279 /nfs/dbraw/zinc/37/02/79/134370279.db2.gz GLCFWIMRYMAVHS-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@H]1CC[N@H+](CCC[NH+]2CCCC2)[C@H]1CO ZINC000248989070 135029516 /nfs/dbraw/zinc/02/95/16/135029516.db2.gz WVOCMTSQHRZRCL-STQMWFEESA-N 2 0 226.364 1.175 10 0 BDAERP Cc1c[nH+]ccc1N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567333 135209689 /nfs/dbraw/zinc/20/96/89/135209689.db2.gz DWLJWXNMLBZDKZ-GFCCVEGCSA-N 2 0 219.332 1.954 10 0 BDAERP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261592148 135232835 /nfs/dbraw/zinc/23/28/35/135232835.db2.gz YIVXVUDJKKKXEM-CYBMUJFWSA-N 2 0 249.358 1.655 10 0 BDAERP COCC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261968487 135267181 /nfs/dbraw/zinc/26/71/81/135267181.db2.gz QCMSBHVYWQTVSQ-LLVKDONJSA-N 2 0 228.380 1.718 10 0 BDAERP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263251023 135342644 /nfs/dbraw/zinc/34/26/44/135342644.db2.gz PXMLRUYCYAEAMG-WXHSDQCUSA-N 2 0 226.364 1.125 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]([NH3+])CC(C)C ZINC000092633648 135579898 /nfs/dbraw/zinc/57/98/98/135579898.db2.gz NIIXHJVSBHQCOF-ZIAGYGMSSA-N 2 0 241.423 1.776 10 0 BDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000389649814 398117614 /nfs/dbraw/zinc/11/76/14/398117614.db2.gz VIEWKZBLKMUBCT-GRYCIOLGSA-N 2 0 214.353 1.397 10 0 BDAERP CC(C)C[NH2+]CC[C@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC000104137338 167004950 /nfs/dbraw/zinc/00/49/50/167004950.db2.gz SDOQRCJYQMPGAU-UONOGXRCSA-N 2 0 241.423 1.647 10 0 BDAERP CC(C)C[NH2+]CCOCC[NH+]1CCCCC1 ZINC000052670745 167005155 /nfs/dbraw/zinc/00/51/55/167005155.db2.gz KFIRVRFUGGNEFF-UHFFFAOYSA-N 2 0 228.380 1.735 10 0 BDAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2NCCC[NH3+] ZINC000044374745 167031019 /nfs/dbraw/zinc/03/10/19/167031019.db2.gz NEPSBVIBLXMDKK-PBWFPOADSA-N 2 0 239.407 1.434 10 0 BDAERP CN(C)[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000104176042 410926230 /nfs/dbraw/zinc/92/62/30/410926230.db2.gz ODATVBVTOOOZEO-AWEZNQCLSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH+](CC)Cc1ccc(C[NH2+]CCO)o1 ZINC000045205589 169790954 /nfs/dbraw/zinc/79/09/54/169790954.db2.gz XYFGJOUELROPNL-UHFFFAOYSA-N 2 0 226.320 1.203 10 0 BDAERP Cn1cc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cn1 ZINC000310394188 411235259 /nfs/dbraw/zinc/23/52/59/411235259.db2.gz JHUQBBLCNJXBEL-AAEUAGOBSA-N 2 0 234.347 1.167 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@H]21 ZINC000656699945 411324640 /nfs/dbraw/zinc/32/46/40/411324640.db2.gz OGDVKZHMCRATDR-AGIUHOORSA-N 2 0 226.364 1.172 10 0 BDAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCC[NH+](C)C)CC1 ZINC000037210222 169958233 /nfs/dbraw/zinc/95/82/33/169958233.db2.gz ZZVSGWWMAHZTEL-CYBMUJFWSA-N 3 0 241.423 1.648 10 0 BDAERP Cc1ncc(C[NH2+][C@H]2CCC[C@@H](O)C2)n1C ZINC000657326621 411466282 /nfs/dbraw/zinc/46/62/82/411466282.db2.gz QSHTYJJVYTUNRM-CMPLNLGQSA-N 2 0 223.320 1.122 10 0 BDAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+][C@@H](C)CC2)C1 ZINC000049662195 170015130 /nfs/dbraw/zinc/01/51/30/170015130.db2.gz RTHBCGGDEOJVPL-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000328277855 170022084 /nfs/dbraw/zinc/02/20/84/170022084.db2.gz RDAVQLVGTWHWMT-AGIUHOORSA-N 2 0 225.380 1.153 10 0 BDAERP CC[N@@H+]1CCc2nc(C[C@H](C)[NH3+])sc2C1 ZINC000054160996 170025187 /nfs/dbraw/zinc/02/51/87/170025187.db2.gz WCFWYBGBXFAEEI-QMMMGPOBSA-N 2 0 225.361 1.411 10 0 BDAERP CC[NH2+]C(C)(C)CN1CC[NH+](CC(C)C)CC1 ZINC000061299991 170107367 /nfs/dbraw/zinc/10/73/67/170107367.db2.gz NYBDNDOFXDOZDB-UHFFFAOYSA-N 2 0 241.423 1.648 10 0 BDAERP CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000037690851 170109691 /nfs/dbraw/zinc/10/96/91/170109691.db2.gz IPGBNSUOTQQVBZ-OLZOCXBDSA-N 2 0 226.364 1.364 10 0 BDAERP CC[NH2+]C1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000040715851 170110031 /nfs/dbraw/zinc/11/00/31/170110031.db2.gz ILZKWBHEFLEALA-ZDUSSCGKSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+]CCC[NH2+][C@H]1C=C[C@@H]([NH3+])CCC1 ZINC000053150873 170113045 /nfs/dbraw/zinc/11/30/45/170113045.db2.gz INPYDNOQRCNLPS-NWDGAFQWSA-N 3 0 211.353 1.012 10 0 BDAERP CC[NH2+]CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062031696 170113346 /nfs/dbraw/zinc/11/33/46/170113346.db2.gz GCIQNEDQTOQFPQ-UHFFFAOYSA-N 2 0 239.407 1.404 10 0 BDAERP CC[NH2+]Cc1ccc(C[NH+]2CCCC2)o1 ZINC000045205591 170126434 /nfs/dbraw/zinc/12/64/34/170126434.db2.gz HYKHSZVPORXTFV-UHFFFAOYSA-N 2 0 208.305 1.985 10 0 BDAERP CC[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000032024431 170128086 /nfs/dbraw/zinc/12/80/86/170128086.db2.gz FGVFDRSQJJXWPO-UHFFFAOYSA-N 2 0 222.332 1.737 10 0 BDAERP CC[NH2+][C@@H](C)CN(CC[NH+](C)C)CC(C)C ZINC000044472598 170139181 /nfs/dbraw/zinc/13/91/81/170139181.db2.gz YZSPSVVFGYKSLZ-ZDUSSCGKSA-N 2 0 229.412 1.504 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCSCC1 ZINC000053864305 170150608 /nfs/dbraw/zinc/15/06/08/170150608.db2.gz YHPYJYNUFYBXNO-VXGBXAGGSA-N 2 0 228.405 1.813 10 0 BDAERP CC[NH2+][C@@H]1CCN([C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000049568547 170152701 /nfs/dbraw/zinc/15/27/01/170152701.db2.gz VCJUQOMPZKDQLP-MGPQQGTHSA-N 2 0 237.391 1.297 10 0 BDAERP CC[NH2+][C@H]1CCC[C@H]1CN1CC[NH+](C)CC1 ZINC000053861536 170166730 /nfs/dbraw/zinc/16/67/30/170166730.db2.gz GFDHAQFTSVIIHI-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+][C@H]1CCC[C@@H]1CN1CCC[N@H+](C)CC1 ZINC000053863878 170167072 /nfs/dbraw/zinc/16/70/72/170167072.db2.gz LZTIQRWRVUESEI-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP CCOCCC[N@@H+]1CC[NH2+]CC[C@H]1C ZINC000071508080 170373971 /nfs/dbraw/zinc/37/39/71/170373971.db2.gz MQDIJLYWBLEBQJ-LLVKDONJSA-N 2 0 200.326 1.097 10 0 BDAERP CCOCC[N@H+](C)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000050088737 170391868 /nfs/dbraw/zinc/39/18/68/170391868.db2.gz SFYNLARFTKBALT-QWHCGFSZSA-N 2 0 228.380 1.862 10 0 BDAERP CC[C@@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)C ZINC000336681750 170895623 /nfs/dbraw/zinc/89/56/23/170895623.db2.gz DARVLRSGWONNOR-GFCCVEGCSA-N 2 0 230.396 1.979 10 0 BDAERP CC[C@@H]1CO[C@@H](C)CN1C(C)(C)C[NH3+] ZINC000042450410 171108264 /nfs/dbraw/zinc/10/82/64/171108264.db2.gz FRDOSWMIMKVVCK-VHSXEESVSA-N 2 0 200.326 1.223 10 0 BDAERP CC[C@H](C)[N@H+](CCOC)Cc1ccc(C[NH3+])o1 ZINC000052547302 171315255 /nfs/dbraw/zinc/31/52/55/171315255.db2.gz GNBAYXICEPEGSJ-NSHDSACASA-N 2 0 240.347 1.985 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000019688679 171319389 /nfs/dbraw/zinc/31/93/89/171319389.db2.gz BNBQQLYRCARHBX-LBPRGKRZSA-N 2 0 225.380 1.155 10 0 BDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680108 171371541 /nfs/dbraw/zinc/37/15/41/171371541.db2.gz FYDBLLLSVHWVDL-SDDRHHMPSA-N 2 0 243.395 1.206 10 0 BDAERP CC[C@H](C)[C@H](C[NH3+])N(C)C1CC[NH+](CC)CC1 ZINC000042615584 171392091 /nfs/dbraw/zinc/39/20/91/171392091.db2.gz AOGMBRYACZLKNP-JSGCOSHPSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](CC)CC ZINC000237042265 171396019 /nfs/dbraw/zinc/39/60/19/171396019.db2.gz JZFSRKSQRGXIGF-SRVKXCTJSA-N 2 0 243.395 1.206 10 0 BDAERP CC(C)(F)CC[NH2+]C1CCC([NH3+])CC1 ZINC000665261793 412204674 /nfs/dbraw/zinc/20/46/74/412204674.db2.gz LRHCZQALWULRPL-UHFFFAOYSA-N 2 0 202.317 1.984 10 0 BDAERP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623407 412245858 /nfs/dbraw/zinc/24/58/58/412245858.db2.gz XRVDLKJHCYOAEI-QWRGUYRKSA-N 2 0 241.379 1.103 10 0 BDAERP CC[C@@H]1C[NH2+][C@@H](CC)CN1CC[NH+](CC)CC ZINC000083369856 171657503 /nfs/dbraw/zinc/65/75/03/171657503.db2.gz XCQLGPAKRJINDQ-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CCc1nccn1Cc1nccn1CC ZINC000104302685 172026816 /nfs/dbraw/zinc/02/68/16/172026816.db2.gz ZGGTYYQSHRTASI-UHFFFAOYSA-N 2 0 204.277 1.710 10 0 BDAERP CCn1cc[nH+]c1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050614402 172227136 /nfs/dbraw/zinc/22/71/36/172227136.db2.gz HBXREEAZAVCBRI-MNOVXSKESA-N 2 0 222.336 1.703 10 0 BDAERP C[NH+](C)C1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000036192426 172406654 /nfs/dbraw/zinc/40/66/54/172406654.db2.gz JDJUBMUOVYQYGW-LBPRGKRZSA-N 2 0 225.380 1.155 10 0 BDAERP C[NH+](C)C1CCN([C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000041051617 172407092 /nfs/dbraw/zinc/40/70/92/172407092.db2.gz LLQBMHWKGUWKIU-LBPRGKRZSA-N 2 0 227.396 1.386 10 0 BDAERP C[NH+]1CCC(Oc2ncccc2C[NH3+])CC1 ZINC000041018528 173000107 /nfs/dbraw/zinc/00/01/07/173000107.db2.gz RPTXXAHBQDXYSV-UHFFFAOYSA-N 2 0 221.304 1.013 10 0 BDAERP C[N@@H+]1CCC[C@@](C[NH3+])(c2cccs2)C1 ZINC000077304287 173036450 /nfs/dbraw/zinc/03/64/50/173036450.db2.gz SDKKOHVJZKPYEW-NSHDSACASA-N 2 0 210.346 1.670 10 0 BDAERP C[NH+]1CCN(C[C@H]([NH3+])c2cccc(F)c2)CC1 ZINC000019270016 173084798 /nfs/dbraw/zinc/08/47/98/173084798.db2.gz PDWWYOGIXUIPLE-ZDUSSCGKSA-N 2 0 237.322 1.073 10 0 BDAERP C[NH+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000019936465 173091988 /nfs/dbraw/zinc/09/19/88/173091988.db2.gz VNBJZMAYOIGXKA-AWEZNQCLSA-N 2 0 233.359 1.324 10 0 BDAERP C[N@@H+]1CC[C@@](C[NH3+])(Nc2ccccc2)C1 ZINC000082643357 173136838 /nfs/dbraw/zinc/13/68/38/173136838.db2.gz XLBBVWPHPLGKOU-LBPRGKRZSA-N 2 0 205.305 1.132 10 0 BDAERP C[N@@H+]1CC[C@@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000061990772 173136977 /nfs/dbraw/zinc/13/69/77/173136977.db2.gz PZKBHHSFSBOXNP-AWEZNQCLSA-N 2 0 231.343 1.035 10 0 BDAERP CN(Cc1ccsc1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990247 173162179 /nfs/dbraw/zinc/16/21/79/173162179.db2.gz IJIIJJLXXSDULZ-GFCCVEGCSA-N 2 0 239.388 1.213 10 0 BDAERP C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2OC)CC1 ZINC000050374061 173324296 /nfs/dbraw/zinc/32/42/96/173324296.db2.gz SDTYWGBEXWNHCD-NWDGAFQWSA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]CCC[C@@H](C)[N@H+](CCCOC)CCOC ZINC000052543275 173349804 /nfs/dbraw/zinc/34/98/04/173349804.db2.gz OQMMIHYHWLWTDY-CYBMUJFWSA-N 2 0 246.395 1.359 10 0 BDAERP C[NH2+]CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083349124 173350115 /nfs/dbraw/zinc/35/01/15/173350115.db2.gz STMUEYKKNSRZLW-UHFFFAOYSA-N 2 0 217.316 1.867 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382029 173372078 /nfs/dbraw/zinc/37/20/78/173372078.db2.gz WULNUVZJAQTXLN-QWHCGFSZSA-N 2 0 226.364 1.629 10 0 BDAERP C[NH2+]C[C@H]1CCCCN1CCC[NH+]1CCCC1 ZINC000042407965 173377875 /nfs/dbraw/zinc/37/78/75/173377875.db2.gz ZKVOIMIRTDVSLF-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377126 173382966 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BDAERP [NH3+]C[C@@H]1CCCN1C[C@@H]1CCC2(CCCC2)O1 ZINC000229332081 491119402 /nfs/dbraw/zinc/11/94/02/491119402.db2.gz XKPFXWRWEXMJQE-STQMWFEESA-N 2 0 238.375 1.901 10 0 BDAERP C[C@H](NCC1([NH+](C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000400515197 533834156 /nfs/dbraw/zinc/83/41/56/533834156.db2.gz KJGSXJWNPURUCF-RYUDHWBXSA-N 2 0 225.380 1.058 10 0 BDAERP C[C@H]([NH2+]CCOC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400355983 533860574 /nfs/dbraw/zinc/86/05/74/533860574.db2.gz OMUABONOHQRPLK-STQMWFEESA-N 2 0 240.391 1.923 10 0 BDAERP C[C@H]([NH2+]CCc1ccco1)[C@@H]1CC[NH2+]C1 ZINC000400702049 533874487 /nfs/dbraw/zinc/87/44/87/533874487.db2.gz KFOCMDOFALTUPW-WDEREUQCSA-N 2 0 208.305 1.410 10 0 BDAERP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000400518581 533989105 /nfs/dbraw/zinc/98/91/05/533989105.db2.gz NSQILCKCWNLCNX-FQUUOJAGSA-N 2 0 237.391 1.201 10 0 BDAERP COc1ccccc1CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400486754 534047322 /nfs/dbraw/zinc/04/73/22/534047322.db2.gz 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208.349 1.620 10 0 BDAERP COC1CC(C[N@H+](C)CCCCCC[NH3+])C1 ZINC000705890302 712139113 /nfs/dbraw/zinc/13/91/13/712139113.db2.gz WVHGGKOWOLWNKL-UHFFFAOYSA-N 2 0 228.380 1.862 10 0 BDAERP COCC1CC([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000713930047 712473639 /nfs/dbraw/zinc/47/36/39/712473639.db2.gz ZDEBDNPSONXBKF-MVKMKZAISA-N 2 0 226.364 1.519 10 0 BDAERP COCC1CC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000713982978 712476019 /nfs/dbraw/zinc/47/60/19/712476019.db2.gz MBGNFDJIXSARGE-QCXCNERSSA-N 2 0 226.364 1.389 10 0 BDAERP Cc1cc(NC[C@H]2C[NH2+]CCC2(F)F)cc[nH+]1 ZINC000717015818 712604609 /nfs/dbraw/zinc/60/46/09/712604609.db2.gz BVFQOXIECGPWFB-SNVBAGLBSA-N 2 0 241.285 1.469 10 0 BDAERP C1=CO[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000380028104 712683057 /nfs/dbraw/zinc/68/30/57/712683057.db2.gz WRIOGXZMHXXOTF-VXGBXAGGSA-N 2 0 210.321 1.411 10 0 BDAERP CC(=O)[C@H]1CCC[N@H+](CCn2ccnc2C)C1 ZINC000111689859 712688358 /nfs/dbraw/zinc/68/83/58/712688358.db2.gz FDFGDSRMBIYDDI-ZDUSSCGKSA-N 2 0 235.331 1.493 10 0 BDAERP C[C@H](CNC1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000038041590 712801392 /nfs/dbraw/zinc/80/13/92/712801392.db2.gz PLIUAZBPTGSJDA-GFCCVEGCSA-N 2 0 225.380 1.202 10 0 BDAERP C[C@]1(CN2CC[N@@H+]3CCC[C@H]3C2)CCC[NH2+]C1 ZINC000250811790 712834666 /nfs/dbraw/zinc/83/46/66/712834666.db2.gz UVJJYZYMMWUAPY-KBPBESRZSA-N 2 0 237.391 1.156 10 0 BDAERP CN1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000685953519 538898071 /nfs/dbraw/zinc/89/80/71/538898071.db2.gz ICUFRPAERQQQGZ-JTQLQIEISA-N 2 0 225.380 1.329 10 0 BDAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCOCC2 ZINC000685953928 538898997 /nfs/dbraw/zinc/89/89/97/538898997.db2.gz JPMRAJZMKVSZMO-NEPJUHHUSA-N 2 0 212.337 1.367 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCOCC2 ZINC000685955285 538900929 /nfs/dbraw/zinc/90/09/29/538900929.db2.gz XHRPUWRPVSOMIY-NEPJUHHUSA-N 2 0 212.337 1.369 10 0 BDAERP [NH3+]CCN1CC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616611954 349475055 /nfs/dbraw/zinc/47/50/55/349475055.db2.gz 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/nfs/dbraw/zinc/81/15/26/342811526.db2.gz OEJDXNQEZKBCPI-UHFFFAOYSA-N 2 0 235.335 1.144 10 0 BDAERP C[N@H+](C1CCC1)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000143674678 361930201 /nfs/dbraw/zinc/93/02/01/361930201.db2.gz HATBHBIKZPYZQK-NWDGAFQWSA-N 2 0 240.347 1.094 10 0 BDAERP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000390511498 539022628 /nfs/dbraw/zinc/02/26/28/539022628.db2.gz ZRGZWEWTCXAPLN-UTUOFQBUSA-N 2 0 219.332 1.976 10 0 BDAERP C[C@@H]([NH3+])[C@@H](C)C[N@@H+]1CCOC(C)(C)C1 ZINC000165022494 342869497 /nfs/dbraw/zinc/86/94/97/342869497.db2.gz RKEBDHCDYVMUDJ-VHSXEESVSA-N 2 0 200.326 1.081 10 0 BDAERP C[C@@H]([NH3+])[C@H](C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000165192448 342881680 /nfs/dbraw/zinc/88/16/80/342881680.db2.gz COJAZENALVBDCJ-GMTAPVOTSA-N 2 0 200.326 1.081 10 0 BDAERP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000580302256 346875474 /nfs/dbraw/zinc/87/54/74/346875474.db2.gz DARGYVMTVVNNSH-AAEUAGOBSA-N 2 0 249.358 1.568 10 0 BDAERP Cc1nccc(C[NH2+]CCCC[NH+](C)C)n1 ZINC000054790893 136373153 /nfs/dbraw/zinc/37/31/53/136373153.db2.gz DSCCHHLBLWYYGF-UHFFFAOYSA-N 2 0 222.336 1.216 10 0 BDAERP Cc1c[nH+]ccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000192562811 365757123 /nfs/dbraw/zinc/75/71/23/365757123.db2.gz AXZVCRNDVYNOOL-LLVKDONJSA-N 2 0 205.305 1.530 10 0 BDAERP OC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC12CCCC2 ZINC000409436215 343837887 /nfs/dbraw/zinc/83/78/87/343837887.db2.gz YSNCAZGLOVIHHP-GFCCVEGCSA-N 2 0 238.375 1.223 10 0 BDAERP CC(C)C[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409435794 343839874 /nfs/dbraw/zinc/83/98/74/343839874.db2.gz WOPXZLYJMAQCBK-JSGCOSHPSA-N 2 0 240.391 1.467 10 0 BDAERP C[C@@]1([NH3+])CN(Cc2ccccc2)CC12CC2 ZINC000113077252 344655782 /nfs/dbraw/zinc/65/57/82/344655782.db2.gz ISCHGRWESPMROQ-CYBMUJFWSA-N 2 0 216.328 2.000 10 0 BDAERP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000212357609 344734569 /nfs/dbraw/zinc/73/45/69/344734569.db2.gz GWBMUSWFUMWNQZ-UONOGXRCSA-N 2 0 234.343 1.218 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CCS[C@@H]2C)C[C@@H]1[NH3+] ZINC000235349507 344890411 /nfs/dbraw/zinc/89/04/11/344890411.db2.gz HMAZSQDLLWSMTC-DOLQZWNJSA-N 2 0 200.351 1.159 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000307214519 345240413 /nfs/dbraw/zinc/24/04/13/345240413.db2.gz RUUVAZTZMDLPIK-GUBZILKMSA-N 2 0 214.378 1.740 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000634999231 345199096 /nfs/dbraw/zinc/19/90/96/345199096.db2.gz RJQPPFQZMXHFBB-RISCZKNCSA-N 2 0 246.354 1.648 10 0 BDAERP Cc1ncsc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999577 345200097 /nfs/dbraw/zinc/20/00/97/345200097.db2.gz WNLWHCNXMNZYSB-WPRPVWTQSA-N 2 0 225.361 1.478 10 0 BDAERP [NH3+]C[C@@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000251329829 345493322 /nfs/dbraw/zinc/49/33/22/345493322.db2.gz PAIBBRIUDWCNKT-UWVGGRQHSA-N 2 0 200.351 1.163 10 0 BDAERP CNc1cc(N2CCCC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000258608335 345785416 /nfs/dbraw/zinc/78/54/16/345785416.db2.gz BULJMIFYDHWSGD-JTQLQIEISA-N 2 0 235.335 1.144 10 0 BDAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685952690 537942997 /nfs/dbraw/zinc/94/29/97/537942997.db2.gz CBPPPMBIHPJTRS-WDEREUQCSA-N 2 0 214.378 1.694 10 0 BDAERP CCC[NH+](CCC)C[C@H]1CNC[C@H](C[NH3+])C1 ZINC000669378720 537970592 /nfs/dbraw/zinc/97/05/92/537970592.db2.gz JTJZMFOBHJIMGP-QWHCGFSZSA-N 2 0 227.396 1.293 10 0 BDAERP [NH3+]Cc1cc(Cl)cc(CN2CC[NH2+]CC2)c1 ZINC000669379486 537979344 /nfs/dbraw/zinc/97/93/44/537979344.db2.gz DLBHIEJYNDENEB-UHFFFAOYSA-N 2 0 239.750 1.204 10 0 BDAERP Cc1cccc(OC[C@@H](CC[NH3+])[NH+](C)C)c1 ZINC000020401463 179171756 /nfs/dbraw/zinc/17/17/56/179171756.db2.gz QRTOMNFQMRGBKL-GFCCVEGCSA-N 2 0 222.332 1.653 10 0 BDAERP C[C@@]1(C[NH2+]Cc2ccccc2)CC[NH2+]C1 ZINC000062911452 348096108 /nfs/dbraw/zinc/09/61/08/348096108.db2.gz LHNKVFFEHQMZKU-CYBMUJFWSA-N 2 0 204.317 1.776 10 0 BDAERP C[C@H]([NH3+])CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000251641336 362894138 /nfs/dbraw/zinc/89/41/38/362894138.db2.gz JEHUFOMHUTWEDH-IVZWLZJFSA-N 2 0 202.367 1.550 10 0 BDAERP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220681 187435611 /nfs/dbraw/zinc/43/56/11/187435611.db2.gz XLXBEPJPJLMQRN-NEPJUHHUSA-N 2 0 243.395 1.062 10 0 BDAERP CC[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000133536901 191041783 /nfs/dbraw/zinc/04/17/83/191041783.db2.gz WFNIHBXUWMOHTK-QWHCGFSZSA-N 2 0 228.380 1.469 10 0 BDAERP [NH3+][C@@H]1CC[C@H]([N@@H+]2CCCSCC2)C1 ZINC000223138753 350266658 /nfs/dbraw/zinc/26/66/58/350266658.db2.gz LXKAUAPCSIRLKR-ZJUUUORDSA-N 2 0 200.351 1.305 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1C[C@H]1C=C[C@H]([NH3+])C1 ZINC000227273665 350491038 /nfs/dbraw/zinc/49/10/38/350491038.db2.gz SGEAMMWNIPTANT-VWYCJHECSA-N 2 0 212.362 1.327 10 0 BDAERP CC[C@H]1C[N@@H+](C2CSC2)CC[C@@H]1[NH3+] ZINC000306782354 351029711 /nfs/dbraw/zinc/02/97/11/351029711.db2.gz QMUVVMBNPNKJGW-WPRPVWTQSA-N 2 0 200.351 1.161 10 0 BDAERP CC(C)(C)[N@@H+]1CCOC[C@@H](CC[NH3+])C1 ZINC000616658939 351205224 /nfs/dbraw/zinc/20/52/24/351205224.db2.gz ADVOONAMDXGGFP-JTQLQIEISA-N 2 0 200.326 1.082 10 0 BDAERP [NH3+]C[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616664133 351216825 /nfs/dbraw/zinc/21/68/25/351216825.db2.gz VGJVEPYIBLDQDC-CYBMUJFWSA-N 2 0 220.316 1.094 10 0 BDAERP BrC1=CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000404396990 351421926 /nfs/dbraw/zinc/42/19/26/351421926.db2.gz CUIMXZXKAYQETE-SECBINFHSA-N 2 0 245.164 1.580 10 0 BDAERP CS[C@@H]1CCN([C@H]2CCC[NH2+]C2)C1 ZINC000307139217 351495331 /nfs/dbraw/zinc/49/53/31/351495331.db2.gz HQKIFGOPBIMRSK-VHSXEESVSA-N 2 0 200.351 1.176 10 0 BDAERP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@]([NH3+])(CO)C1 ZINC000307159220 351509636 /nfs/dbraw/zinc/50/96/36/351509636.db2.gz UEIFDFMSGWKHLX-KGLIPLIRSA-N 2 0 234.343 1.361 10 0 BDAERP C[N@H+](C1CSC1)[C@@H]1CCC[NH2+]CC1 ZINC000307092024 351473366 /nfs/dbraw/zinc/47/33/66/351473366.db2.gz RMZLTJLQJVJFPO-SECBINFHSA-N 2 0 200.351 1.176 10 0 BDAERP C[N@H+](C1CSC1)C1CCC([NH3+])CC1 ZINC000307172950 351563168 /nfs/dbraw/zinc/56/31/68/351563168.db2.gz QMNHBDIDZWFSCJ-UHFFFAOYSA-N 2 0 200.351 1.304 10 0 BDAERP CS[C@@H]1CCCN(C(C)(C)C[NH3+])C1 ZINC000307216271 351616116 /nfs/dbraw/zinc/61/61/16/351616116.db2.gz BQLQJQARHDZTSA-SECBINFHSA-N 2 0 202.367 1.551 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@H]1CC[C@@H]([NH3+])C1 ZINC000307587567 352662043 /nfs/dbraw/zinc/66/20/43/352662043.db2.gz UNPIRRPEEONHLY-VGMNWLOBSA-N 2 0 200.351 1.350 10 0 BDAERP C[C@H]1CCN(C(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000307598584 352665879 /nfs/dbraw/zinc/66/58/79/352665879.db2.gz PCIQLDDHPSCZOR-LBPRGKRZSA-N 2 0 246.358 1.476 10 0 BDAERP C[C@@H]1CSC[C@H]1[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000307514916 352631638 /nfs/dbraw/zinc/63/16/38/352631638.db2.gz OYDXYOQZDJADEK-OPRDCNLKSA-N 2 0 200.351 1.019 10 0 BDAERP C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C[NH+]1CCCC1 ZINC000310264324 353134420 /nfs/dbraw/zinc/13/44/20/353134420.db2.gz MHFTUYHTUFVSLW-CHWSQXEVSA-N 2 0 242.407 1.715 10 0 BDAERP Cc1ccccc1OC[C@H](CC[NH3+])[NH+](C)C ZINC000020401457 188108748 /nfs/dbraw/zinc/10/87/48/188108748.db2.gz LDYXUCXCUHTSDN-LBPRGKRZSA-N 2 0 222.332 1.653 10 0 BDAERP CC(C)C[C@@](C)(C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000036170741 188112139 /nfs/dbraw/zinc/11/21/39/188112139.db2.gz ZQZPZJMTVYEYND-AWEZNQCLSA-N 2 0 241.423 1.776 10 0 BDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000045134656 188124031 /nfs/dbraw/zinc/12/40/31/188124031.db2.gz KGNBCGCINNRLDM-KGLIPLIRSA-N 2 0 240.391 1.875 10 0 BDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000049220386 188124829 /nfs/dbraw/zinc/12/48/29/188124829.db2.gz NLFXWZKIWFAPLI-WDEREUQCSA-N 2 0 243.395 1.062 10 0 BDAERP C[NH+]1CCC(OCc2cc(C[NH3+])co2)CC1 ZINC000052596771 188126331 /nfs/dbraw/zinc/12/63/31/188126331.db2.gz WQDZZQKEBGVJAD-UHFFFAOYSA-N 2 0 224.304 1.349 10 0 BDAERP CC(C)(C[NH3+])N1CC[NH+](CC2CCCC2)CC1 ZINC000104162049 188150506 /nfs/dbraw/zinc/15/05/06/188150506.db2.gz FTSGHPXMPFPMOY-UHFFFAOYSA-N 2 0 239.407 1.532 10 0 BDAERP FC(F)(F)[C@H]1CC[NH2+]CC12CC[NH2+]CC2 ZINC000096261706 180890080 /nfs/dbraw/zinc/89/00/80/180890080.db2.gz FZDBLSREGZZJRL-QMMMGPOBSA-N 2 0 222.254 1.528 10 0 BDAERP C[NH2+]Cc1ccc(CN2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000110751269 188153071 /nfs/dbraw/zinc/15/30/71/188153071.db2.gz PZMROLNAYAHHTB-CYBMUJFWSA-N 2 0 247.386 1.542 10 0 BDAERP CC(C)[NH2+]CCN1CCC[C@@](C)(O)CC1 ZINC000230374602 363305313 /nfs/dbraw/zinc/30/53/13/363305313.db2.gz OXIFNQPBCJTWPT-GFCCVEGCSA-N 2 0 214.353 1.221 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000113515679 355251882 /nfs/dbraw/zinc/25/18/82/355251882.db2.gz MPBGLMVWDHINLB-LBPRGKRZSA-N 2 0 214.353 1.033 10 0 BDAERP NC(=[NH2+])CCC[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000062980679 181186374 /nfs/dbraw/zinc/18/63/74/181186374.db2.gz ZHAPZQSYTFYSIL-GFCCVEGCSA-N 2 0 238.379 1.263 10 0 BDAERP Cc1n[nH]cc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000335863823 355627444 /nfs/dbraw/zinc/62/74/44/355627444.db2.gz QRIMKRSURPGUJO-GFCCVEGCSA-N 2 0 222.336 1.292 10 0 BDAERP COCC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000675051078 538473642 /nfs/dbraw/zinc/47/36/42/538473642.db2.gz KGACHSMWHHYVLL-ZIAGYGMSSA-N 2 0 240.391 1.638 10 0 BDAERP CCC[N@H+](C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080515 538519344 /nfs/dbraw/zinc/51/93/44/538519344.db2.gz SGOZIZRFZGRWIC-WDEREUQCSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@H](C[N@@H+]1CCS[C@H](C)C1)C1C[NH2+]C1 ZINC000129828983 356980050 /nfs/dbraw/zinc/98/00/50/356980050.db2.gz LMVBMUFPZSXZRZ-NXEZZACHSA-N 2 0 214.378 1.279 10 0 BDAERP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000393831481 357302426 /nfs/dbraw/zinc/30/24/26/357302426.db2.gz KPIACKICSDNBJV-KXNHARMFSA-N 2 0 232.331 1.207 10 0 BDAERP C[NH2+]CC[C@@H](C[NH3+])c1ccc(COC)cc1 ZINC000685948882 538891669 /nfs/dbraw/zinc/89/16/69/538891669.db2.gz VIIIFQPMEYIYDQ-ZDUSSCGKSA-N 2 0 222.332 1.485 10 0 BDAERP C[NH2+]CC[C@H](C[NH3+])c1ccc(COC)cc1 ZINC000685948881 538892073 /nfs/dbraw/zinc/89/20/73/538892073.db2.gz VIIIFQPMEYIYDQ-CYBMUJFWSA-N 2 0 222.332 1.485 10 0 BDAERP CC[C@@H]1CC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950664 538893759 /nfs/dbraw/zinc/89/37/59/538893759.db2.gz DCYIYKIBEOSLNJ-XQHKEYJVSA-N 2 0 210.365 1.962 10 0 BDAERP Cc1c[nH+]cc(C)c1N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000685950503 538893935 /nfs/dbraw/zinc/89/39/35/538893935.db2.gz ALJUGRDIEFMNFR-RYUDHWBXSA-N 2 0 219.332 1.885 10 0 BDAERP Cc1c[nH+]cc(C)c1N1CC[NH2+][C@H](C)[C@@H]1C ZINC000685951396 538894646 /nfs/dbraw/zinc/89/46/46/538894646.db2.gz SEGAJXKXEZZCEB-NEPJUHHUSA-N 2 0 219.332 1.885 10 0 BDAERP CCOC[C@H]([NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000233769881 357746117 /nfs/dbraw/zinc/74/61/17/357746117.db2.gz BHAHTDLRXRIRKJ-BPCQOVAHSA-N 2 0 228.380 1.907 10 0 BDAERP COC[C@@H](CCC[NH3+])Nc1ccc(C)nc1 ZINC000234763777 357826709 /nfs/dbraw/zinc/82/67/09/357826709.db2.gz XXDZADMBMCKQDV-GFCCVEGCSA-N 2 0 223.320 1.556 10 0 BDAERP Cc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])cc[nH+]1 ZINC000232057432 491123826 /nfs/dbraw/zinc/12/38/26/491123826.db2.gz GQFGHJZWGCJINK-GWCFXTLKSA-N 2 0 219.332 1.954 10 0 BDAERP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCSC2)[C@H](C)C1 ZINC000299969721 358958157 /nfs/dbraw/zinc/95/81/57/358958157.db2.gz RNWVIHWQDWKLHH-GMTAPVOTSA-N 2 0 214.378 1.564 10 0 BDAERP C[C@@H]1[C@H]([NH3+])CC[N@H+](CCC(F)F)[C@H]1C ZINC000306219529 359338253 /nfs/dbraw/zinc/33/82/53/359338253.db2.gz MXWGVILITJHOEH-XHNCKOQMSA-N 2 0 206.280 1.699 10 0 BDAERP CC(C)[N@H+](C)C[C@@H]1COC(C)(C)[C@@H]1[NH3+] ZINC000306248674 359445754 /nfs/dbraw/zinc/44/57/54/359445754.db2.gz XQUAPWNUMWQDMK-NXEZZACHSA-N 2 0 200.326 1.079 10 0 BDAERP CC(C)[N@H+](C)CCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578638179 366615399 /nfs/dbraw/zinc/61/53/99/366615399.db2.gz BGWVIAVLQRROBT-UONOGXRCSA-N 3 0 241.423 1.694 10 0 BDAERP [NH3+][C@@H]1CC[C@H](CC[NH+]2CCSCC2)C1 ZINC000306433507 359940402 /nfs/dbraw/zinc/94/04/02/359940402.db2.gz XASPMUQOSXNVNZ-GHMZBOCLSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH+]1CCSCC1 ZINC000306437649 359947051 /nfs/dbraw/zinc/94/70/51/359947051.db2.gz MBAANRQVYRCZNL-ZJUUUORDSA-N 2 0 200.351 1.033 10 0 BDAERP COC(C)(C)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC000306450348 360020853 /nfs/dbraw/zinc/02/08/53/360020853.db2.gz ZCXPJERVLPPANN-JTQLQIEISA-N 2 0 200.326 1.225 10 0 BDAERP C[N@H+](CCCN[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000094087846 360296361 /nfs/dbraw/zinc/29/63/61/360296361.db2.gz UVYLBMCDWWZXSZ-ZDUSSCGKSA-N 2 0 239.407 1.593 10 0 BDAERP C[N@H+](CCCN[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000094087844 360296445 /nfs/dbraw/zinc/29/64/45/360296445.db2.gz UVYLBMCDWWZXSZ-CYBMUJFWSA-N 2 0 239.407 1.593 10 0 BDAERP CC(C)C[C@H]([NH3+])CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440676 360308176 /nfs/dbraw/zinc/30/81/76/360308176.db2.gz NSRZJTPUUCNZHM-UONOGXRCSA-N 2 0 239.407 1.530 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000306611959 360851999 /nfs/dbraw/zinc/85/19/99/360851999.db2.gz HNBAKRAUBSVJDN-AXFHLTTASA-N 2 0 214.378 1.612 10 0 BDAERP C[C@@H]([NH3+])CC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910039 361016790 /nfs/dbraw/zinc/01/67/90/361016790.db2.gz JEHUFOMHUTWEDH-BBBLOLIVSA-N 2 0 202.367 1.550 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000629545225 361425538 /nfs/dbraw/zinc/42/55/38/361425538.db2.gz COBQPDKEVLJWNU-GHYVTOPFSA-N 2 0 238.375 1.532 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000051692898 181342611 /nfs/dbraw/zinc/34/26/11/181342611.db2.gz WCQNDWHLJRNPKN-UDNWOFFPSA-N 2 0 200.351 1.351 10 0 BDAERP NC(=[NH2+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070663801 361708965 /nfs/dbraw/zinc/70/89/65/361708965.db2.gz IXFMLHAWUZHRLZ-LBPRGKRZSA-N 2 0 217.316 1.835 10 0 BDAERP CO[C@H]1CN(Cc2ccncc2)[C@@](C)(C[NH3+])C1 ZINC000630367285 364084589 /nfs/dbraw/zinc/08/45/89/364084589.db2.gz NNAWHQBXHHSIPR-CHWSQXEVSA-N 2 0 235.331 1.020 10 0 BDAERP CO[C@@H]1C[N@H+](CC2CC(C)(C)C2)[C@](C)(C[NH3+])C1 ZINC000630366294 364085996 /nfs/dbraw/zinc/08/59/96/364085996.db2.gz KALHALIMQXGIER-JSGCOSHPSA-N 2 0 240.391 1.861 10 0 BDAERP [NH3+]CC1([N@@H+]2CCCOCC2)CCCCC1 ZINC000061916586 181360600 /nfs/dbraw/zinc/36/06/00/181360600.db2.gz VCSYQKNMSROYIF-UHFFFAOYSA-N 2 0 212.337 1.370 10 0 BDAERP [NH3+]CC1(C[NH+]2CCSCC2)CCCCC1 ZINC000051214303 181359374 /nfs/dbraw/zinc/35/93/74/181359374.db2.gz LIMHBJWMCWHBIF-UHFFFAOYSA-N 2 0 228.405 1.944 10 0 BDAERP Cc1c[nH+]ccc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000630559287 364260033 /nfs/dbraw/zinc/26/00/33/364260033.db2.gz XIODSXXBJIQFPH-HAQNSBGRSA-N 2 0 219.332 1.741 10 0 BDAERP Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000630572239 364268166 /nfs/dbraw/zinc/26/81/66/364268166.db2.gz QFYGPQJYORMMHP-KOLCDFICSA-N 2 0 205.305 1.421 10 0 BDAERP Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)cc[nH+]1 ZINC000630533424 364226124 /nfs/dbraw/zinc/22/61/24/364226124.db2.gz PKDUCUZTMFEWGO-JOYOIKCWSA-N 2 0 205.305 1.364 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000574391320 365050678 /nfs/dbraw/zinc/05/06/78/365050678.db2.gz QERUVCLSARSOQO-XQQFMLRXSA-N 2 0 242.407 1.761 10 0 BDAERP [NH3+]CCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000013440102 181383424 /nfs/dbraw/zinc/38/34/24/181383424.db2.gz KZPFBRMLYBRLSN-UHFFFAOYSA-N 2 0 203.289 1.606 10 0 BDAERP O[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000574584724 365098426 /nfs/dbraw/zinc/09/84/26/365098426.db2.gz MAONLDRICUJKIG-ZIAGYGMSSA-N 2 0 240.391 1.756 10 0 BDAERP [NH3+]CC[C@H]1CSC[C@@H]1[NH+]1CCCC1 ZINC000082382408 181410702 /nfs/dbraw/zinc/41/07/02/181410702.db2.gz RRKKCDNNZKKNOQ-UWVGGRQHSA-N 2 0 200.351 1.163 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000581185028 367285603 /nfs/dbraw/zinc/28/56/03/367285603.db2.gz DETHAZOXOVDSLD-PEBLQZBPSA-N 2 0 240.391 1.778 10 0 BDAERP Cc1cnn(CCN[C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000386058849 367906317 /nfs/dbraw/zinc/90/63/17/367906317.db2.gz WXVXRIYGXLYPLM-STQMWFEESA-N 2 0 236.363 1.312 10 0 BDAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000566672532 326072450 /nfs/dbraw/zinc/07/24/50/326072450.db2.gz CFLVHZLTJIRMRI-GXTWGEPZSA-N 3 0 239.407 1.306 10 0 BDAERP Cc1cccc(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000086729712 368883853 /nfs/dbraw/zinc/88/38/53/368883853.db2.gz NSCHCYMIXTYCJW-UHFFFAOYSA-N 2 0 219.332 1.750 10 0 BDAERP [NH3+]C[C@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052381954 181466051 /nfs/dbraw/zinc/46/60/51/181466051.db2.gz YXNRZPPBHDMNCB-VXGBXAGGSA-N 2 0 212.337 1.369 10 0 BDAERP Cc1ncsc1CC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840333 369236745 /nfs/dbraw/zinc/23/67/45/369236745.db2.gz RMXGIDPUNDRNSU-ONGXEEELSA-N 2 0 239.388 1.521 10 0 BDAERP COC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250363735 369514159 /nfs/dbraw/zinc/51/41/59/369514159.db2.gz HYFRLDBVZDXQQU-NWDGAFQWSA-N 2 0 240.347 1.014 10 0 BDAERP C[C@@H]1CCN(Cc2ccccc2)[C@@H]1C[NH3+] ZINC000227109744 371784989 /nfs/dbraw/zinc/78/49/89/371784989.db2.gz RXLVACGMDNXSAR-DGCLKSJQSA-N 2 0 204.317 1.856 10 0 BDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCSCC2)C1 ZINC000227808745 371941438 /nfs/dbraw/zinc/94/14/38/371941438.db2.gz DSUPSUVYSWWFEF-WDEREUQCSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@H]([NH3+])C[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000218653774 372141786 /nfs/dbraw/zinc/14/17/86/372141786.db2.gz UARNUHKIDMEUHT-DCAQKATOSA-N 2 0 200.326 1.223 10 0 BDAERP CC1(C)[C@H]([NH+]2CCSCC2)C[C@@H]1[NH3+] ZINC000405293437 372149425 /nfs/dbraw/zinc/14/94/25/372149425.db2.gz ZMOVIAPEDZBYDM-DTWKUNHWSA-N 2 0 200.351 1.161 10 0 BDAERP Cc1cccnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837905 372630263 /nfs/dbraw/zinc/63/02/63/372630263.db2.gz GWVZTWXXGJBIBZ-RYUDHWBXSA-N 2 0 219.332 1.417 10 0 BDAERP C[C@@H]1C[N@H+](CCCCCF)C[C@@H]1C[NH3+] ZINC000631838483 372632432 /nfs/dbraw/zinc/63/24/32/372632432.db2.gz PFPMQWALAUBUAM-MNOVXSKESA-N 2 0 202.317 1.653 10 0 BDAERP CC(C)OCCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839087 372633194 /nfs/dbraw/zinc/63/31/94/372633194.db2.gz AAPGWXSXSNHPNN-RYUDHWBXSA-N 2 0 214.353 1.328 10 0 BDAERP COCc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838892 372634552 /nfs/dbraw/zinc/63/45/52/372634552.db2.gz WNLLCTYAIKEGJR-SWLSCSKDSA-N 2 0 248.370 1.860 10 0 BDAERP CCN(CCC[NH+]1CCCC1)CC[NH2+]C(C)C ZINC000042387227 169829803 /nfs/dbraw/zinc/82/98/03/169829803.db2.gz LMYPDAGYKIZGNN-UHFFFAOYSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH+](CCC)CCn1cc(C[NH2+]C)nn1 ZINC000052416788 169147103 /nfs/dbraw/zinc/14/71/03/169147103.db2.gz HDAKWXDTPVRIMH-UHFFFAOYSA-N 2 0 239.367 1.120 10 0 BDAERP CCCN(CCC[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000071332333 169156858 /nfs/dbraw/zinc/15/68/58/169156858.db2.gz OIPIQASSQOFOLR-AWEZNQCLSA-N 2 0 239.407 1.546 10 0 BDAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccoc1 ZINC000063047944 169158619 /nfs/dbraw/zinc/15/86/19/169158619.db2.gz HYDXXOBTDRVFBN-ZDUSSCGKSA-N 2 0 239.363 1.553 10 0 BDAERP CCC[NH+]1CCC(N(CC)[C@H]2CC[NH2+]C2)CC1 ZINC000071312134 169186243 /nfs/dbraw/zinc/18/62/43/169186243.db2.gz ZNFJIYPPRBIXHA-AWEZNQCLSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCC(N2CCC([NH3+])CC2)CC1 ZINC000020521636 169187183 /nfs/dbraw/zinc/18/71/83/169187183.db2.gz YBDGKPXUKQCHHP-UHFFFAOYSA-N 2 0 225.380 1.284 10 0 BDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cccnc2)CC1 ZINC000022169943 169202486 /nfs/dbraw/zinc/20/24/86/169202486.db2.gz JTPALBBBTYNCGW-AWEZNQCLSA-N 2 0 248.374 1.109 10 0 BDAERP CCC[NH+]1CCN(C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000053860716 169203126 /nfs/dbraw/zinc/20/31/26/169203126.db2.gz QPBZORNFHNNVKP-QWHCGFSZSA-N 2 0 225.380 1.141 10 0 BDAERP CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C[C@@H]1C ZINC000073655933 169207717 /nfs/dbraw/zinc/20/77/17/169207717.db2.gz SQJDAGSKCKFRLK-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH2+]C[C@@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074066 169261316 /nfs/dbraw/zinc/26/13/16/169261316.db2.gz KBLZTBMOBHIGDX-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104421509 169262403 /nfs/dbraw/zinc/26/24/03/169262403.db2.gz CFYLVLYKQMTYMH-MJBXVCDLSA-N 2 0 240.391 1.611 10 0 BDAERP CCCO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425460 169311625 /nfs/dbraw/zinc/31/16/25/169311625.db2.gz NMGFHZMPMSUUEQ-ZIAGYGMSSA-N 2 0 240.391 1.877 10 0 BDAERP CCCO[C@H]1CCC[N@@H+]([C@@H](CC)CC(N)=[NH2+])C1 ZINC000042422685 169313191 /nfs/dbraw/zinc/31/31/91/169313191.db2.gz YBYFMLLNBMBQML-RYUDHWBXSA-N 2 0 241.379 1.982 10 0 BDAERP CCC[NH2+][C@H]1CCCC[C@@H]1N(C)CC[NH+](C)C ZINC000104202020 169290831 /nfs/dbraw/zinc/29/08/31/169290831.db2.gz VCLFWHLYQRHFMY-KBPBESRZSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[C@@H]([NH3+])[C@@H](CC)N1CCC([NH+](C)C)CC1 ZINC000036191803 169392473 /nfs/dbraw/zinc/39/24/73/169392473.db2.gz NXPYQCUKBVRZCZ-ZIAGYGMSSA-N 2 0 241.423 1.918 10 0 BDAERP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000309134070 384079950 /nfs/dbraw/zinc/07/99/50/384079950.db2.gz RQYUVELDEMKLJB-UTLUCORTSA-N 2 0 205.305 1.513 10 0 BDAERP Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000335578758 384339524 /nfs/dbraw/zinc/33/95/24/384339524.db2.gz GQOVYBUNHSRNAO-MNOVXSKESA-N 2 0 205.305 1.351 10 0 BDAERP Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)cc[nH+]1 ZINC000335578761 384340027 /nfs/dbraw/zinc/34/00/27/384340027.db2.gz GQOVYBUNHSRNAO-WDEREUQCSA-N 2 0 205.305 1.351 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068368 384331084 /nfs/dbraw/zinc/33/10/84/384331084.db2.gz QDAHSDNKNJEDRI-WDEREUQCSA-N 2 0 207.321 1.665 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000560970658 384428719 /nfs/dbraw/zinc/42/87/19/384428719.db2.gz KNPNAOKOCIKWMU-SDDRHHMPSA-N 2 0 212.337 1.143 10 0 BDAERP CC(C)[C@H]([NH3+])c1cccn1CC[NH+](C)C ZINC000011848770 384617927 /nfs/dbraw/zinc/61/79/27/384617927.db2.gz KRAYDNSTAIAXHI-LBPRGKRZSA-N 2 0 209.337 1.706 10 0 BDAERP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000647551804 384753474 /nfs/dbraw/zinc/75/34/74/384753474.db2.gz NFUJICSCQDGWMR-UPJWGTAASA-N 2 0 224.348 1.097 10 0 BDAERP CCOc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000258991581 384957533 /nfs/dbraw/zinc/95/75/33/384957533.db2.gz VYGCIENQMBGUAR-ZDUSSCGKSA-N 2 0 234.343 1.784 10 0 BDAERP C[NH+](C)CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637431 384958130 /nfs/dbraw/zinc/95/81/30/384958130.db2.gz ROPMJCQIYIDHFB-XQQFMLRXSA-N 2 0 240.391 1.731 10 0 BDAERP Cc1c[nH+]ccc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000335583434 384937404 /nfs/dbraw/zinc/93/74/04/384937404.db2.gz YPQAPTZFDONOJG-WDEREUQCSA-N 2 0 205.305 1.494 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCSC1 ZINC000336231011 385023416 /nfs/dbraw/zinc/02/34/16/385023416.db2.gz BBTGMBFWNIBQSZ-VXGBXAGGSA-N 2 0 228.405 1.861 10 0 BDAERP C([C@@H]1CCC[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000169726662 385418169 /nfs/dbraw/zinc/41/81/69/385418169.db2.gz DXBDJDMVMPNVIN-WCQYABFASA-N 2 0 208.349 1.718 10 0 BDAERP Cc1ccc(O)c(CN(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000156017753 385428573 /nfs/dbraw/zinc/42/85/73/385428573.db2.gz SHYQWUOTDLSMSP-GFCCVEGCSA-N 2 0 249.358 1.479 10 0 BDAERP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC[NH3+])C12CCC2 ZINC000336734011 385651951 /nfs/dbraw/zinc/65/19/51/385651951.db2.gz GZPVGQBXZSLYTQ-GARJFASQSA-N 2 0 212.337 1.128 10 0 BDAERP [NH3+]CC[C@@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616598351 385872954 /nfs/dbraw/zinc/87/29/54/385872954.db2.gz PHJZWRUXIXLGDV-CQSZACIVSA-N 2 0 234.343 1.626 10 0 BDAERP Cc1cncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000310307150 386176689 /nfs/dbraw/zinc/17/66/89/386176689.db2.gz CXULSKYCEYRRKR-MELADBBJSA-N 2 0 231.343 1.559 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336666663 386293331 /nfs/dbraw/zinc/29/33/31/386293331.db2.gz LJSRWBHDGWSQKC-RYUDHWBXSA-N 2 0 228.380 1.277 10 0 BDAERP C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccncc1 ZINC000396590363 386782294 /nfs/dbraw/zinc/78/22/94/386782294.db2.gz STTRIUWPSRRYKH-GVXVVHGQSA-N 2 0 219.332 1.873 10 0 BDAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCSCC2)CC1 ZINC000575431719 387056058 /nfs/dbraw/zinc/05/60/58/387056058.db2.gz HKSYXRPOJGDIKZ-XYPYZODXSA-N 2 0 214.378 1.553 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(F)c(F)c1F ZINC000575440265 387127503 /nfs/dbraw/zinc/12/75/03/387127503.db2.gz YCYNONPIAQPBJY-MRVPVSSYSA-N 2 0 218.222 1.843 10 0 BDAERP COc1cccc([C@H]([NH3+])CCC[NH3+])c1F ZINC000575439985 387127841 /nfs/dbraw/zinc/12/78/41/387127841.db2.gz QDYMTIRMVQQEKJ-SECBINFHSA-N 2 0 212.268 1.573 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062967739 387190532 /nfs/dbraw/zinc/19/05/32/387190532.db2.gz CRUBMYJSEBVSGP-CYBMUJFWSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12C[C@H]([NH3+])CO2 ZINC000575508444 387370958 /nfs/dbraw/zinc/37/09/58/387370958.db2.gz LXOGYKJKBIUWKC-AEGPPILISA-N 2 0 246.354 1.767 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643454661 387386186 /nfs/dbraw/zinc/38/61/86/387386186.db2.gz LDXCZWQCGPSSJG-YNEHKIRRSA-N 2 0 237.391 1.201 10 0 BDAERP CC(C)OC1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000643475983 387514208 /nfs/dbraw/zinc/51/42/08/387514208.db2.gz ZRWLXQFRLBMFTP-CPCZMJQVSA-N 2 0 226.364 1.674 10 0 BDAERP CS[C@@H]1CC[C@@H]1N1CCC[C@H]([NH3+])C1 ZINC000575545850 387630431 /nfs/dbraw/zinc/63/04/31/387630431.db2.gz QXNYRCCBVLDIKI-LPEHRKFASA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1[C@H]([NH3+])CC[N@H+](C2CSC2)[C@H]1C ZINC000575565182 387720808 /nfs/dbraw/zinc/72/08/08/387720808.db2.gz GFUHQETXYAVSIY-OYNCUSHFSA-N 2 0 200.351 1.159 10 0 BDAERP CC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000083462741 388053205 /nfs/dbraw/zinc/05/32/05/388053205.db2.gz KDRYYXBBICZMMA-PSEXLTFBSA-N 2 0 226.364 1.362 10 0 BDAERP Cc1cc(NC2C[NH2+]C2)c2ccccc2[nH+]1 ZINC000085256873 388085818 /nfs/dbraw/zinc/08/58/18/388085818.db2.gz RIFQLWKMHYZWCX-UHFFFAOYSA-N 2 0 213.284 1.927 10 0 BDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CSC1(C)C ZINC000393881116 388445074 /nfs/dbraw/zinc/44/50/74/388445074.db2.gz LRGSEFCWWVLZAN-VHSXEESVSA-N 2 0 216.394 1.988 10 0 BDAERP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000335044263 388448156 /nfs/dbraw/zinc/44/81/56/388448156.db2.gz XWVIEFDYFGWSFZ-SMDDNHRTSA-N 2 0 230.355 1.741 10 0 BDAERP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(C)(C)O ZINC000394005860 388448670 /nfs/dbraw/zinc/44/86/70/388448670.db2.gz UWBCHPIDISVBAJ-GHMZBOCLSA-N 2 0 214.353 1.268 10 0 BDAERP CC(C)(C)C[C@H](CO)[NH2+]C1CC[NH2+]CC1 ZINC000393470614 388431668 /nfs/dbraw/zinc/43/16/68/388431668.db2.gz NALDWVJDQWWHRN-LLVKDONJSA-N 2 0 214.353 1.125 10 0 BDAERP CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CC1(C)C ZINC000397637300 388486348 /nfs/dbraw/zinc/48/63/48/388486348.db2.gz XKRKLGFLFMQMLR-CHWSQXEVSA-N 2 0 242.407 1.979 10 0 BDAERP CCC[C@H](C[NH2+][C@H]1CCN(CC)C1)OC ZINC000378738191 388492586 /nfs/dbraw/zinc/49/25/86/388492586.db2.gz GRURFHJIZKZHKG-NWDGAFQWSA-N 2 0 214.353 1.485 10 0 BDAERP COc1ccccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440379 388631330 /nfs/dbraw/zinc/63/13/30/388631330.db2.gz RIFCQMFVLVAXDR-NSHDSACASA-N 2 0 208.305 1.824 10 0 BDAERP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000566088886 388986705 /nfs/dbraw/zinc/98/67/05/388986705.db2.gz GRELXANPIOKREB-RHYQMDGZSA-N 2 0 228.405 1.858 10 0 BDAERP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000274402536 132202869 /nfs/dbraw/zinc/20/28/69/132202869.db2.gz YCBYBKLOUDAXIU-OLZOCXBDSA-N 2 0 249.358 1.281 10 0 BDAERP CCc1cccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1 ZINC000013740716 132309714 /nfs/dbraw/zinc/30/97/14/132309714.db2.gz MBNBZXNACITBKV-UHFFFAOYSA-N 2 0 245.330 1.435 10 0 BDAERP Nc1cc2ccccc2c(N2CC[NH2+]CC2)n1 ZINC000002511730 132314811 /nfs/dbraw/zinc/31/48/11/132314811.db2.gz YYDPDVNRCMURLV-UHFFFAOYSA-N 2 0 228.299 1.227 10 0 BDAERP C[C@H]1CC[C@@H](C[NH3+])CN1c1cc[nH+]cc1 ZINC000053704336 132363195 /nfs/dbraw/zinc/36/31/95/132363195.db2.gz FIMGAULHRMOBKA-QWRGUYRKSA-N 2 0 205.305 1.645 10 0 BDAERP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000178411541 134309974 /nfs/dbraw/zinc/30/99/74/134309974.db2.gz GCYXOIGVEQDUSM-PWSUYJOCSA-N 2 0 247.342 1.644 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CC[NH2+]C1 ZINC000252092033 135083967 /nfs/dbraw/zinc/08/39/67/135083967.db2.gz DUSAGAPADCQHOE-OLZOCXBDSA-N 2 0 225.380 1.202 10 0 BDAERP CCSCC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527747 135151758 /nfs/dbraw/zinc/15/17/58/135151758.db2.gz GRYRXQDLPHDYPW-JTQLQIEISA-N 2 0 216.394 1.799 10 0 BDAERP C[C@H]([NH3+])CC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000261662653 135243807 /nfs/dbraw/zinc/24/38/07/135243807.db2.gz ABQFCKXANUERQK-NSHDSACASA-N 2 0 249.358 1.102 10 0 BDAERP C[C@]1(CN2CC[C@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929146 135263173 /nfs/dbraw/zinc/26/31/73/135263173.db2.gz CORDTRADEKJZMB-AAEUAGOBSA-N 2 0 225.380 1.045 10 0 BDAERP C[C@@H](CN[C@@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000086728967 135495732 /nfs/dbraw/zinc/49/57/32/135495732.db2.gz CUGJKNXGGIBUIO-QWHCGFSZSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@@H]1C[C@@H](O)C[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000401640201 533673666 /nfs/dbraw/zinc/67/36/66/533673666.db2.gz DVYVADPMXFUNEL-HZSPNIEDSA-N 2 0 240.391 1.564 10 0 BDAERP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000258926609 322879614 /nfs/dbraw/zinc/87/96/14/322879614.db2.gz OXRUYBIPTNCYJS-LLVKDONJSA-N 2 0 208.280 1.525 10 0 BDAERP CC(C)(C)[NH2+]CCOc1ccc(C[NH3+])cc1 ZINC000041241318 166632590 /nfs/dbraw/zinc/63/25/90/166632590.db2.gz CPWOTYMZZUKEIW-UHFFFAOYSA-N 2 0 222.332 1.912 10 0 BDAERP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000309044082 410854897 /nfs/dbraw/zinc/85/48/97/410854897.db2.gz NDXRXRWWLFDCAT-KIJLLGNVSA-N 2 0 210.365 1.961 10 0 BDAERP CC(C)[NH2+]CC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000104412943 167100402 /nfs/dbraw/zinc/10/04/02/167100402.db2.gz MJZSOMVNTVXZML-KBPBESRZSA-N 2 0 240.391 1.610 10 0 BDAERP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000070073323 167111772 /nfs/dbraw/zinc/11/17/72/167111772.db2.gz PPOYMVVCUXQABR-KGLIPLIRSA-N 2 0 242.407 1.979 10 0 BDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000041680265 410933477 /nfs/dbraw/zinc/93/34/77/410933477.db2.gz AGUCDMPVLSGBHT-NWDGAFQWSA-N 2 0 243.395 1.160 10 0 BDAERP CC[NH+](CC)[C@@H]1CCN(CC(C)(C)C[NH2+]C)C1 ZINC000062970279 169797158 /nfs/dbraw/zinc/79/71/58/169797158.db2.gz OOCOWWIDRPDCHS-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400995940 411168706 /nfs/dbraw/zinc/16/87/06/411168706.db2.gz KMQOLZKZHIRIAO-UMSGYPCISA-N 2 0 240.391 1.371 10 0 BDAERP C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000656193920 411199943 /nfs/dbraw/zinc/19/99/43/411199943.db2.gz YPOQGPOFESNZBN-MGPQQGTHSA-N 2 0 247.386 1.990 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310139878 411215598 /nfs/dbraw/zinc/21/55/98/411215598.db2.gz MTIPSHYEJYYLGL-JSGCOSHPSA-N 2 0 231.343 1.955 10 0 BDAERP C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310529300 411240502 /nfs/dbraw/zinc/24/05/02/411240502.db2.gz PMPMTZOGJQEVEJ-SAXRGWBVSA-N 2 0 231.343 1.812 10 0 BDAERP Cc1c[nH+]ccc1N1CC2CC1(C[NH3+])C2 ZINC000656610829 411308938 /nfs/dbraw/zinc/30/89/38/411308938.db2.gz LMJNQPRTDVZZGJ-UHFFFAOYSA-N 2 0 203.289 1.318 10 0 BDAERP CN(C)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000062965786 411334513 /nfs/dbraw/zinc/33/45/13/411334513.db2.gz GNTBONZGZOSQPQ-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP CC1CCC(CO)([NH2+]Cc2cnc[nH]2)CC1 ZINC000054765352 168156692 /nfs/dbraw/zinc/15/66/92/168156692.db2.gz VRNHMRBUUHDUOB-UHFFFAOYSA-N 2 0 223.320 1.441 10 0 BDAERP CC1CC[NH+](C[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052377058 168182351 /nfs/dbraw/zinc/18/23/51/168182351.db2.gz JZFZCSTVYVAKES-RYUDHWBXSA-N 2 0 212.337 1.225 10 0 BDAERP CC[NH+]1CCN(C(CC)(CC)C[NH3+])CC1 ZINC000019481807 169987471 /nfs/dbraw/zinc/98/74/71/169987471.db2.gz MXVPDPSTTBKKGI-UHFFFAOYSA-N 2 0 213.369 1.141 10 0 BDAERP CC[NH+]1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000020073841 169989946 /nfs/dbraw/zinc/98/99/46/169989946.db2.gz QQYNAZAYSPZWOO-HNNXBMFYSA-N 2 0 247.386 1.714 10 0 BDAERP CC[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)S2)C1 ZINC000037484500 170007321 /nfs/dbraw/zinc/00/73/21/170007321.db2.gz MPRXVAJHBOOTEV-UWVGGRQHSA-N 2 0 227.377 1.409 10 0 BDAERP CC[NH2+]C1CCN([C@@H]2CC[N@@H+]3CCC[C@H]23)CC1 ZINC000049568621 170109172 /nfs/dbraw/zinc/10/91/72/170109172.db2.gz XTXXBFZFNRDSTG-ZIAGYGMSSA-N 2 0 237.391 1.297 10 0 BDAERP CC[NH2+]CCc1csc(CC[NH+](C)C)n1 ZINC000076812156 170118519 /nfs/dbraw/zinc/11/85/19/170118519.db2.gz QXATVSTYFCASHT-UHFFFAOYSA-N 2 0 227.377 1.399 10 0 BDAERP CC[NH2+]C[C@@H](O)C[N@H+](C)C1CCC(CC)CC1 ZINC000042515655 170119211 /nfs/dbraw/zinc/11/92/11/170119211.db2.gz WILPMBIEGZTDCU-JXQTWKCFSA-N 2 0 242.407 1.857 10 0 BDAERP CC[NH2+]C[C@@H]1CC[C@H](COCCC[NH+](C)C)O1 ZINC000052672622 170121251 /nfs/dbraw/zinc/12/12/51/170121251.db2.gz GWWZWKKHJJUNLE-QWHCGFSZSA-N 2 0 244.379 1.112 10 0 BDAERP CC[NH2+]C[C@H]1CCCN1c1cc[nH+]cc1 ZINC000053696610 170122334 /nfs/dbraw/zinc/12/23/34/170122334.db2.gz MLIVSBDCGMVTEV-GFCCVEGCSA-N 2 0 205.305 1.660 10 0 BDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)CCOC)O1 ZINC000052542778 170123780 /nfs/dbraw/zinc/12/37/80/170123780.db2.gz RVTOYABDGNKDME-CHWSQXEVSA-N 2 0 244.379 1.112 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCCC[C@@H]1CO ZINC000053877169 170151092 /nfs/dbraw/zinc/15/10/92/170151092.db2.gz GZJUWNKFJJDCKU-MGPQQGTHSA-N 2 0 240.391 1.611 10 0 BDAERP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)[C@@H]2CCCO2)C[C@@H]1C ZINC000049711069 170151670 /nfs/dbraw/zinc/15/16/70/170151670.db2.gz YTOKGHMPHAFXEO-FQUUOJAGSA-N 2 0 240.391 1.874 10 0 BDAERP CC[NH2+][C@H](C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065615 170156844 /nfs/dbraw/zinc/15/68/44/170156844.db2.gz NOGSRFOEFYNALR-CHWSQXEVSA-N 2 0 227.396 1.401 10 0 BDAERP CC[NH2+][C@H](C)CCC[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053244796 170156968 /nfs/dbraw/zinc/15/69/68/170156968.db2.gz SLMJXFHENIEKKD-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+][C@H](C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000061268844 170156977 /nfs/dbraw/zinc/15/69/77/170156977.db2.gz DACFOWVNMXCYEI-LLVKDONJSA-N 2 0 243.395 1.079 10 0 BDAERP CC[NH2+][C@H](C)c1csc(CC[NH+](C)C)n1 ZINC000076810640 170160232 /nfs/dbraw/zinc/16/02/32/170160232.db2.gz AJGHMYFPUXMUKJ-SECBINFHSA-N 2 0 227.377 1.918 10 0 BDAERP CCOC1CC([NH2+][C@H]2CCN(CC)C2)C1 ZINC000328325425 170329958 /nfs/dbraw/zinc/32/99/58/170329958.db2.gz FVUSNRGHRJGXPG-UNXYVOJBSA-N 2 0 212.337 1.238 10 0 BDAERP CCOC1CC[NH+]([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000040678529 170331989 /nfs/dbraw/zinc/33/19/89/170331989.db2.gz IPIBOGPMRXLMMQ-YPMHNXCESA-N 2 0 226.364 1.615 10 0 BDAERP CCOC1CC[NH+]([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000040689241 170332137 /nfs/dbraw/zinc/33/21/37/170332137.db2.gz UKUHNCRJEZHEGZ-OLZOCXBDSA-N 2 0 226.364 1.757 10 0 BDAERP CC[C@@H]1CCN(C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000049661907 171009355 /nfs/dbraw/zinc/00/93/55/171009355.db2.gz DKQBIWOOFBQIBO-GFCCVEGCSA-N 2 0 225.380 1.155 10 0 BDAERP CC[C@@H]1CO[C@H](C)CN1C(C)(C)C[NH3+] ZINC000042450406 171111738 /nfs/dbraw/zinc/11/17/38/171111738.db2.gz FRDOSWMIMKVVCK-NXEZZACHSA-N 2 0 200.326 1.223 10 0 BDAERP CC[C@@](C)(C[NH2+]C1CC1)C[NH+]1CCC(O)CC1 ZINC000051207354 171166865 /nfs/dbraw/zinc/16/68/65/171166865.db2.gz DQBQAWLPMDHSHC-AWEZNQCLSA-N 2 0 240.391 1.611 10 0 BDAERP CC[C@H](C)[N@H+](CCOC)Cc1occc1C[NH3+] ZINC000052547306 171315742 /nfs/dbraw/zinc/31/57/42/171315742.db2.gz KDAIORVVQLPAKH-NSHDSACASA-N 2 0 240.347 1.985 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000055072376 171318421 /nfs/dbraw/zinc/31/84/21/171318421.db2.gz CGTZGGHJEXEOJY-MJBXVCDLSA-N 2 0 239.407 1.530 10 0 BDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])CC(C)C)CC1 ZINC000055064536 171319397 /nfs/dbraw/zinc/31/93/97/171319397.db2.gz NTLKXZZNMDQTTB-UONOGXRCSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C)[C@H]([NH3+])CN(C)C1CC[NH+](CC)CC1 ZINC000042689489 171396340 /nfs/dbraw/zinc/39/63/40/171396340.db2.gz VHDHBCBWGYMRKR-GXTWGEPZSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C[NH2+]C1CCC([NH3+])CC1)OC ZINC000336681717 171437756 /nfs/dbraw/zinc/43/77/56/171437756.db2.gz HKTDGHAJHQOUTK-VQXHTEKXSA-N 2 0 200.326 1.271 10 0 BDAERP C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000665267150 412204840 /nfs/dbraw/zinc/20/48/40/412204840.db2.gz QMVZDJWJQWLPEC-LPEHRKFASA-N 2 0 218.291 1.619 10 0 BDAERP CCc1nccn1Cc1cccnc1NC ZINC000052733948 172027653 /nfs/dbraw/zinc/02/76/53/172027653.db2.gz LCQWMYIHZSHGJH-UHFFFAOYSA-N 2 0 216.288 1.931 10 0 BDAERP CCn1cc[nH+]c1NC1CCC([NH3+])CC1 ZINC000051693684 172227852 /nfs/dbraw/zinc/22/78/52/172227852.db2.gz FUPICBQXUPOYCH-UHFFFAOYSA-N 2 0 208.309 1.585 10 0 BDAERP C[NH+](C)C(C)(C)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628721 172393602 /nfs/dbraw/zinc/39/36/02/172393602.db2.gz UHCKFTCPZLWQNB-YOGCLGLASA-N 2 0 225.380 1.281 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CCn1ccnc1 ZINC000049857921 173004834 /nfs/dbraw/zinc/00/48/34/173004834.db2.gz OGCBRRFJQJGUNB-CYBMUJFWSA-N 2 0 236.363 1.347 10 0 BDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[C@@H]1O ZINC000352669585 173005452 /nfs/dbraw/zinc/00/54/52/173005452.db2.gz BBJDJFMQACOZJA-MCIONIFRSA-N 2 0 240.391 1.706 10 0 BDAERP CN1CCC[C@H]([N@H+](C)Cc2cccc(C[NH3+])c2)C1 ZINC000053205826 173043926 /nfs/dbraw/zinc/04/39/26/173043926.db2.gz ZCEROLGZVMFKSK-HNNXBMFYSA-N 2 0 247.386 1.671 10 0 BDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CCCO ZINC000305660231 173049963 /nfs/dbraw/zinc/04/99/63/173049963.db2.gz XTJQPJFJUIRLEF-UONOGXRCSA-N 2 0 240.391 1.708 10 0 BDAERP C[NH+]1CCC[C@H]1CC(O)C[C@H]1CCC[N@H+]1C ZINC000013459104 173051454 /nfs/dbraw/zinc/05/14/54/173051454.db2.gz UOJNOOLFFFFKNA-FUNVUKJBSA-N 2 0 226.364 1.316 10 0 in-vitro BDAERP C[N@@H+]1CCN(C2(C[NH3+])CCCCC2)CC1(C)C ZINC000104144178 173075809 /nfs/dbraw/zinc/07/58/09/173075809.db2.gz WHDROHNNKIKRLR-UHFFFAOYSA-N 2 0 239.407 1.674 10 0 BDAERP CN1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952272 173079525 /nfs/dbraw/zinc/07/95/25/173079525.db2.gz ZTQOLNRMVFYCCG-CYBMUJFWSA-N 2 0 225.380 1.156 10 0 BDAERP C[NH+]1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000020071637 173082675 /nfs/dbraw/zinc/08/26/75/173082675.db2.gz NANWYNNVYUABLP-AWEZNQCLSA-N 2 0 233.359 1.324 10 0 BDAERP CN1CC[NH+](C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053861668 173084836 /nfs/dbraw/zinc/08/48/36/173084836.db2.gz ULIGJCBISDVBBF-OLZOCXBDSA-N 2 0 225.380 1.141 10 0 BDAERP C[NH2+]C(C)(C)CN(C)[C@H]1CCC[N@H+](C)C1 ZINC000061319843 173319801 /nfs/dbraw/zinc/31/98/01/173319801.db2.gz QEXKKAXWMQZEOV-NSHDSACASA-N 2 0 213.369 1.010 10 0 BDAERP C[NH2+]CC1(C[NH+]2CCCC2)CCOCC1 ZINC000052180656 173337493 /nfs/dbraw/zinc/33/74/93/173337493.db2.gz PSXOVUVGPWRIFX-UHFFFAOYSA-N 2 0 212.337 1.098 10 0 BDAERP C[NH2+]CC1(C[N@H+](C)C2CCOCC2)CCCC1 ZINC000051218263 173338008 /nfs/dbraw/zinc/33/80/08/173338008.db2.gz JAJMVOQAAIXCFL-UHFFFAOYSA-N 2 0 240.391 1.877 10 0 BDAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000040601115 173368036 /nfs/dbraw/zinc/36/80/36/173368036.db2.gz GDALKSOWTBQEFA-RYUDHWBXSA-N 2 0 212.337 1.097 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011892008 173371078 /nfs/dbraw/zinc/37/10/78/173371078.db2.gz DHXOXOLPUZFYBY-AWEZNQCLSA-N 2 0 248.370 1.779 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCCSCC2)CCOC1 ZINC000051284263 173373568 /nfs/dbraw/zinc/37/35/68/173373568.db2.gz CUQNGLUIZUOBNJ-GFCCVEGCSA-N 2 0 244.404 1.051 10 0 BDAERP C[NH2+]C[C@]1(C[N@H+](C)CC(C)(C)C)CCCOC1 ZINC000104307437 173383746 /nfs/dbraw/zinc/38/37/46/173383746.db2.gz ZFEIPIZVYMPLPC-AWEZNQCLSA-N 2 0 242.407 1.981 10 0 BDAERP C[NH2+]Cc1cccnc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191644 173391314 /nfs/dbraw/zinc/39/13/14/173391314.db2.gz JTTFARBZRWIFTD-GFCCVEGCSA-N 2 0 248.374 1.189 10 0 BDAERP COC1CC[NH+]([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037265721 174030137 /nfs/dbraw/zinc/03/01/37/174030137.db2.gz XFJGOIUKVFXBLQ-CMPLNLGQSA-N 2 0 212.337 1.225 10 0 BDAERP COCCC[N@H+](CCCCC(N)=[NH2+])CCOC ZINC000042422667 174222866 /nfs/dbraw/zinc/22/28/66/174222866.db2.gz KWHMUSZFRCUFMH-UHFFFAOYSA-N 2 0 245.367 1.078 10 0 BDAERP COCCC[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000033606758 174245848 /nfs/dbraw/zinc/24/58/48/174245848.db2.gz VDGDCVKCGHKYJP-UHFFFAOYSA-N 2 0 228.380 1.922 10 0 BDAERP COCC[N@H+](C1CC1)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000042517606 174284872 /nfs/dbraw/zinc/28/48/72/174284872.db2.gz WYMOZTQVCJPNFN-YRGRVCCFSA-N 2 0 240.391 1.861 10 0 BDAERP CO[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051694407 174874341 /nfs/dbraw/zinc/87/43/41/174874341.db2.gz NMCVDUOXBDSISP-TYUFSLCMSA-N 2 0 226.364 1.804 10 0 BDAERP COc1ccc2c(c1)[nH+]c(N)n2CCC[NH+](C)C ZINC000013675167 175219659 /nfs/dbraw/zinc/21/96/59/175219659.db2.gz ZFZMQWBKDVLKBB-UHFFFAOYSA-N 2 0 248.330 1.579 10 0 BDAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)(C)O ZINC000564823375 322931415 /nfs/dbraw/zinc/93/14/15/322931415.db2.gz OWFHKBLJBACOTL-SRVKXCTJSA-N 2 0 228.380 1.514 10 0 BDAERP C[C@@H]([NH3+])Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000006852879 175807434 /nfs/dbraw/zinc/80/74/34/175807434.db2.gz TXUYXKOMYKUHAX-GFCCVEGCSA-N 2 0 236.359 1.907 10 0 BDAERP C[C@@H]([NH3+])[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052061049 175808752 /nfs/dbraw/zinc/80/87/52/175808752.db2.gz SRJHYVUOZKCSFV-VXGBXAGGSA-N 2 0 225.380 1.282 10 0 BDAERP C[C@@H]([C@H]1CCCO1)[NH+]1CCC[NH2+]CCC1 ZINC000049666239 176012468 /nfs/dbraw/zinc/01/24/68/176012468.db2.gz XAWZSKQWJDPAIN-NWDGAFQWSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCOC1 ZINC000019913142 176070894 /nfs/dbraw/zinc/07/08/94/176070894.db2.gz UUUYAXISSLOIIL-KGLIPLIRSA-N 2 0 240.391 1.877 10 0 BDAERP C[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCCOCC2)C1 ZINC000061916616 176151117 /nfs/dbraw/zinc/15/11/17/176151117.db2.gz FGWJJXRXLQCEHY-OLZOCXBDSA-N 2 0 226.364 1.616 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2cccnc2C[NH3+])C1 ZINC000061656659 176175173 /nfs/dbraw/zinc/17/51/73/176175173.db2.gz ICHCKKXXNMIKRD-SNVBAGLBSA-N 2 0 205.305 1.382 10 0 BDAERP C[C@@H]1C[N@H+](CCc2ccncc2)CC[C@@H]1[NH3+] ZINC000049712953 176294248 /nfs/dbraw/zinc/29/42/48/176294248.db2.gz BQPLIKLYVZESOT-YPMHNXCESA-N 2 0 219.332 1.293 10 0 BDAERP C[C@@H]1C[NH+]=C(NCC2CC[NH+](C)CC2)S1 ZINC000044526493 176324204 /nfs/dbraw/zinc/32/42/04/176324204.db2.gz AVJQUHJBUBKZAG-SECBINFHSA-N 2 0 227.377 1.409 10 0 BDAERP C[C@@H]1C[NH2+]CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000044510702 176324862 /nfs/dbraw/zinc/32/48/62/176324862.db2.gz JGHTZZBLORDYRR-OLZOCXBDSA-N 2 0 226.364 1.487 10 0 BDAERP C[C@@H]1COCC[N@@H+]1CC1CCC([NH3+])CC1 ZINC000037482473 176336653 /nfs/dbraw/zinc/33/66/53/176336653.db2.gz PJYNRQKZXFRVQY-VOMCLLRMSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@H]1CCCC[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052378888 177077148 /nfs/dbraw/zinc/07/71/48/177077148.db2.gz GJTRXHJEWFIWNN-VIFPVBQESA-N 2 0 209.293 1.508 10 0 BDAERP C[C@H]1CCCN(C2(C[NH3+])CC[NH+](C)CC2)C1 ZINC000019432844 177096861 /nfs/dbraw/zinc/09/68/61/177096861.db2.gz WGDUDZSNTQBJPO-LBPRGKRZSA-N 2 0 225.380 1.141 10 0 BDAERP C[C@H]1CC[N@H+](C[C@@H]2CCOC2)CCC[NH2+]1 ZINC000061148136 177162303 /nfs/dbraw/zinc/16/23/03/177162303.db2.gz HIPDKSQRJLGBOO-RYUDHWBXSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000216508291 177238733 /nfs/dbraw/zinc/23/87/33/177238733.db2.gz MQDUWQXQEPACQP-XUXIUFHCSA-N 2 0 240.391 1.731 10 0 BDAERP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000061934638 177254469 /nfs/dbraw/zinc/25/44/69/177254469.db2.gz JQBZDBYQVDDUSV-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]1C[N@H+](Cc2occc2C[NH3+])CCCO1 ZINC000061935396 177272402 /nfs/dbraw/zinc/27/24/02/177272402.db2.gz MQJITZGXLVWXRF-JTQLQIEISA-N 2 0 224.304 1.349 10 0 BDAERP C[C@H]1COCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000251605521 177292848 /nfs/dbraw/zinc/29/28/48/177292848.db2.gz DGLNBRMGYRDOSQ-NWDGAFQWSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@@H](C[NH+]1CCCCC1)NC1=[NH+][C@@H](C)CS1 ZINC000049502357 177302640 /nfs/dbraw/zinc/30/26/40/177302640.db2.gz ZNOLHQBULNBZNM-QWRGUYRKSA-N 2 0 241.404 1.942 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400348314 226341457 /nfs/dbraw/zinc/34/14/57/226341457.db2.gz LIBAFTHPGLYOIN-QJPTWQEYSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+]CCOCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400502997 226345142 /nfs/dbraw/zinc/34/51/42/226345142.db2.gz CNXVKXIBUXKDRO-ZFWWWQNUSA-N 2 0 248.370 1.791 10 0 BDAERP C[N@H+](C[C@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666771 487714841 /nfs/dbraw/zinc/71/48/41/487714841.db2.gz QRZPYRYCLKTNFE-CHWSQXEVSA-N 2 0 226.364 1.629 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000250641368 487737439 /nfs/dbraw/zinc/73/74/39/487737439.db2.gz HKYDZCQMQKBYBU-RHYQMDGZSA-N 2 0 212.337 1.149 10 0 BDAERP OCC[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000300215278 487772079 /nfs/dbraw/zinc/77/20/79/487772079.db2.gz VYXXIGQJYFKZDW-STQMWFEESA-N 2 0 226.364 1.080 10 0 BDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H]1CC[NH2+]C1 ZINC000251603658 487775387 /nfs/dbraw/zinc/77/53/87/487775387.db2.gz DEMDAZZJOXXXPM-MCIONIFRSA-N 2 0 237.391 1.155 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000560970650 322993986 /nfs/dbraw/zinc/99/39/86/322993986.db2.gz KNPNAOKOCIKWMU-QJPTWQEYSA-N 2 0 212.337 1.143 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000248577706 323025651 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C[C@@H]([NH2+][C@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000566555624 326063429 /nfs/dbraw/zinc/06/34/29/326063429.db2.gz BZCMYRVYNPCPMF-ZWNOBZJWSA-N 2 0 226.364 1.125 10 0 BDAERP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccn1 ZINC000567102569 326116015 /nfs/dbraw/zinc/11/60/15/326116015.db2.gz RFFHNXFWGJGGSD-GXTWGEPZSA-N 2 0 233.359 1.868 10 0 BDAERP C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCC[NH2+]CC2)O1 ZINC000226449315 488086083 /nfs/dbraw/zinc/08/60/83/488086083.db2.gz HOHHSTDJVKTSCG-UPJWGTAASA-N 2 0 226.364 1.628 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127996420 490567720 /nfs/dbraw/zinc/56/77/20/490567720.db2.gz XSNCLKOMIIAARE-MCIONIFRSA-N 2 0 238.375 1.772 10 0 BDAERP CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)C[NH+](C)C ZINC000136294783 491112176 /nfs/dbraw/zinc/11/21/76/491112176.db2.gz WGYWARMHKPFPHW-NSHDSACASA-N 2 0 243.395 1.064 10 0 BDAERP C[C@H]1CC[C@@]2(CCCN2CC[NH+](C)C)C[NH2+]1 ZINC000757127996 582503023 /nfs/dbraw/zinc/50/30/23/582503023.db2.gz IMWLYRMQYQRHDL-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP COCC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757133746 582509970 /nfs/dbraw/zinc/50/99/70/582509970.db2.gz UBXGLMPGVVJKSP-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP CC[C@]1(C)CCO[C@@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757146315 582529613 /nfs/dbraw/zinc/52/96/13/582529613.db2.gz KOOCTDPSEOUFND-CHWSQXEVSA-N 2 0 226.364 1.977 10 0 BDAERP C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400575620 533834634 /nfs/dbraw/zinc/83/46/34/533834634.db2.gz OUOBHBPGVQBXOK-NWDGAFQWSA-N 2 0 226.364 1.269 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000400552082 533888058 /nfs/dbraw/zinc/88/80/58/533888058.db2.gz YAPDZRHORVIBKC-YUTCNCBUSA-N 2 0 246.354 1.578 10 0 BDAERP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400513960 533920549 /nfs/dbraw/zinc/92/05/49/533920549.db2.gz MLVQHJISWBPQNB-CMPLNLGQSA-N 2 0 222.307 1.913 10 0 BDAERP CCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C[C@H]1C ZINC000252474380 520597076 /nfs/dbraw/zinc/59/70/76/520597076.db2.gz CGWBZSHGQZUAJT-KGLIPLIRSA-N 2 0 239.407 1.545 10 0 BDAERP CCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C[C@H]1C ZINC000252474381 520597095 /nfs/dbraw/zinc/59/70/95/520597095.db2.gz CGWBZSHGQZUAJT-ZIAGYGMSSA-N 2 0 239.407 1.545 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000306708201 527820966 /nfs/dbraw/zinc/82/09/66/527820966.db2.gz SNDIWFIHFNNRCZ-UTLUCORTSA-N 2 0 214.378 1.597 10 0 BDAERP CC(C)SCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400586220 528321012 /nfs/dbraw/zinc/32/10/12/528321012.db2.gz SASLDCHZOGCYTQ-WDEREUQCSA-N 2 0 216.394 1.716 10 0 BDAERP CC(C)SCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400586213 528321052 /nfs/dbraw/zinc/32/10/52/528321052.db2.gz SASLDCHZOGCYTQ-MNOVXSKESA-N 2 0 216.394 1.716 10 0 BDAERP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400427491 528484763 /nfs/dbraw/zinc/48/47/63/528484763.db2.gz ZCENNFSACSIILK-SRVKXCTJSA-N 2 0 214.353 1.125 10 0 BDAERP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400427494 528485148 /nfs/dbraw/zinc/48/51/48/528485148.db2.gz ZCENNFSACSIILK-TUAOUCFPSA-N 2 0 214.353 1.125 10 0 BDAERP CC[N@H+](CCN[C@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400501629 528518092 /nfs/dbraw/zinc/51/80/92/528518092.db2.gz GWMPPTWFWQULMT-VXGBXAGGSA-N 2 0 225.380 1.058 10 0 BDAERP CCCCOCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400744807 528586853 /nfs/dbraw/zinc/58/68/53/528586853.db2.gz UHBXUOCTKPMRER-STQMWFEESA-N 2 0 228.380 1.781 10 0 BDAERP CC(C)[N@H+](C)CCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400425274 528819119 /nfs/dbraw/zinc/81/91/19/528819119.db2.gz YITXVUWVORYLEW-STQMWFEESA-N 2 0 227.396 1.304 10 0 BDAERP CCC(O)(CC)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400336798 528975073 /nfs/dbraw/zinc/97/50/73/528975073.db2.gz DNUXVMHXSBENIX-QWRGUYRKSA-N 2 0 214.353 1.125 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CCO)C1 ZINC000252742237 536357846 /nfs/dbraw/zinc/35/78/46/536357846.db2.gz JQRICNAUWKGZMH-KGLIPLIRSA-N 2 0 240.391 1.565 10 0 BDAERP C[C@@H]1C[NH2+]C[C@]2(CCCN2CC[NH+](C)C)C1 ZINC000757125182 582500249 /nfs/dbraw/zinc/50/02/49/582500249.db2.gz DDGRKOOKGLUBIR-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1[NH2+]CCC[C@]12CCCN2CC[NH+](C)C ZINC000757134174 582510726 /nfs/dbraw/zinc/51/07/26/582510726.db2.gz WLUJOXCGSLKXBQ-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP C1[NH2+]CC12CC[NH2+]C1(CCCCCCC1)O2 ZINC000757141958 582522345 /nfs/dbraw/zinc/52/23/45/582522345.db2.gz ATDBYBLHVOLUBV-UHFFFAOYSA-N 2 0 224.348 1.779 10 0 BDAERP C[C@@H]1CC(C)(C)OC2(CC[NH+](C)CC2)[NH2+]1 ZINC000757142811 582522811 /nfs/dbraw/zinc/52/28/11/582522811.db2.gz DKUILACXWNCQKS-SNVBAGLBSA-N 2 0 212.337 1.585 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757148541 582533207 /nfs/dbraw/zinc/53/32/07/582533207.db2.gz VFWSDKLJQMRKHV-CQSZACIVSA-N 2 0 238.375 1.979 10 0 BDAERP CCC[C@H]1CCOC2(CC[NH+](CC)CC2)[NH2+]1 ZINC000757149897 582534332 /nfs/dbraw/zinc/53/43/32/582534332.db2.gz WVSXAUPIZBTKFX-LBPRGKRZSA-N 2 0 226.364 1.977 10 0 BDAERP C[C@H]1O[C@]2(CCC[N@H+](C)CC2)[NH2+]CC1(C)C ZINC000757150365 582534808 /nfs/dbraw/zinc/53/48/08/582534808.db2.gz QTIOVCLAZWQVNF-YPMHNXCESA-N 2 0 226.364 1.833 10 0 BDAERP C[C@@H]1CC(C)(C)O[C@@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757153711 582538417 /nfs/dbraw/zinc/53/84/17/582538417.db2.gz WYTARFGGWJKATD-DGCLKSJQSA-N 2 0 226.364 1.975 10 0 BDAERP [NH3+][C@H]1CC[NH2+]C[C@@H]1c1cccc2cc[nH]c21 ZINC000757209000 582559859 /nfs/dbraw/zinc/55/98/59/582559859.db2.gz CZGFNQGGFRBQCS-NEPJUHHUSA-N 2 0 215.300 1.572 10 0 BDAERP CC(C)C[NH+]1CCN([C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396623663 583086810 /nfs/dbraw/zinc/08/68/10/583086810.db2.gz DECHGTWSZKLZLO-KBPBESRZSA-N 2 0 239.407 1.401 10 0 BDAERP COCCC[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757130860 586426516 /nfs/dbraw/zinc/42/65/16/586426516.db2.gz OKFGBVQXBQCOFL-CHWSQXEVSA-N 2 0 226.364 1.487 10 0 BDAERP C[C@H]1CC[NH2+]C[C@H]1c1cccc(C[NH3+])c1 ZINC000757208423 586437941 /nfs/dbraw/zinc/43/79/41/586437941.db2.gz CRCADLQBAZIOLP-GXFFZTMASA-N 2 0 204.317 1.858 10 0 BDAERP [NH3+]Cc1ccc([C@@H]2C[C@H](C[NH3+])CC[NH2+]2)cc1 ZINC000757211961 586439101 /nfs/dbraw/zinc/43/91/01/586439101.db2.gz JLEBVDYVYOFFIA-YPMHNXCESA-N 3 0 219.332 1.145 10 0 BDAERP CC(=O)c1ccc([C@@H]2C[C@H](C[NH3+])CC[NH2+]2)cc1 ZINC000757213434 586439883 /nfs/dbraw/zinc/43/98/83/586439883.db2.gz KEJBMRJCTQLXQF-RISCZKNCSA-N 2 0 232.327 1.889 10 0 BDAERP CC(=O)c1ccc([C@@H]2C[NH2+]CC[C@@H]2[NH3+])cc1 ZINC000757213427 586439920 /nfs/dbraw/zinc/43/99/20/586439920.db2.gz KEIGGQGJKMKQHU-STQMWFEESA-N 2 0 218.300 1.293 10 0 BDAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2ccc(C[NH3+])cc2)N1 ZINC000757214542 586440239 /nfs/dbraw/zinc/44/02/39/586440239.db2.gz MPKYWJCYNHTCOS-WQAKAFBOSA-N 3 0 219.332 1.286 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccc(N)c2)[NH2+]1 ZINC000757220112 586442383 /nfs/dbraw/zinc/44/23/83/586442383.db2.gz ZYHQSEAMNPEFBZ-IRUJWGPZSA-N 2 0 219.332 1.657 10 0 BDAERP Cc1ccc(N)cc1[C@H]1C[C@H](C[NH3+])CC[NH2+]1 ZINC000757229994 586443258 /nfs/dbraw/zinc/44/32/58/586443258.db2.gz FOWFQVYDLAWVCW-ZWNOBZJWSA-N 2 0 219.332 1.577 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1[NH2+][C@@H](C)CC[C@H]1C[NH3+] ZINC000757238524 586444271 /nfs/dbraw/zinc/44/42/71/586444271.db2.gz SNBNPHHBLVWCQI-COPLHBTASA-N 2 0 233.359 1.965 10 0 BDAERP [NH3+]CCCCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086933027 631473164 /nfs/dbraw/zinc/47/31/64/631473164.db2.gz SWSDTDKUQYLDSX-CYBMUJFWSA-N 2 0 225.380 1.286 10 0 BDAERP C[C@H]1CN(CCC[NH2+]C2CC2)C[C@H]1[NH+](C)C ZINC000251571634 635704896 /nfs/dbraw/zinc/70/48/96/635704896.db2.gz CALAYVPDTUXDON-WCQYABFASA-N 2 0 225.380 1.010 10 0 BDAERP C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@H]1[NH+](C)C ZINC000251571623 635705082 /nfs/dbraw/zinc/70/50/82/635705082.db2.gz CALAYVPDTUXDON-DGCLKSJQSA-N 2 0 225.380 1.010 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@@H](C)C1 ZINC000220977315 636069880 /nfs/dbraw/zinc/06/98/80/636069880.db2.gz BMQVMNCGQFTILI-VWYCJHECSA-N 2 0 214.378 1.279 10 0 BDAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328556490 633777359 /nfs/dbraw/zinc/77/73/59/633777359.db2.gz AKOLXLMXVNFCFN-VWBGDHHKSA-N 2 0 220.360 1.761 10 0 BDAERP CC(C)OC[C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000227734777 640846597 /nfs/dbraw/zinc/84/65/97/640846597.db2.gz COQROLKSQMNNLO-CHWSQXEVSA-N 2 0 246.395 1.078 10 0 BDAERP CN(C)[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000071137243 643100442 /nfs/dbraw/zinc/10/04/42/643100442.db2.gz SEMFHCWKZXFWLJ-GFCCVEGCSA-N 2 0 213.369 1.141 10 0 BDAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000251539997 644809342 /nfs/dbraw/zinc/80/93/42/644809342.db2.gz YEZDWDXWFKPXBS-NWDGAFQWSA-N 2 0 212.337 1.226 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@@H]21 ZINC000252854413 644918276 /nfs/dbraw/zinc/91/82/76/644918276.db2.gz JSCQWLZBEPHUGC-FVCCEPFGSA-N 2 0 224.348 1.225 10 0 BDAERP C[C@@H]1C[N@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000708861256 712201280 /nfs/dbraw/zinc/20/12/80/712201280.db2.gz GKFJXWDIRRPLME-NEPJUHHUSA-N 2 0 214.353 1.066 10 0 BDAERP [NH3+][C@@H]1CCCCCN(C[C@@H]2CCCO2)C1 ZINC000708993493 712205333 /nfs/dbraw/zinc/20/53/33/712205333.db2.gz QLNNWDZLLODWRH-NEPJUHHUSA-N 2 0 212.337 1.369 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000717375793 712652638 /nfs/dbraw/zinc/65/26/38/712652638.db2.gz MROHOXVWEMETAB-XQQFMLRXSA-N 2 0 240.391 1.779 10 0 BDAERP Cc1cnc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000724034382 710736846 /nfs/dbraw/zinc/73/68/46/710736846.db2.gz PCIHITCHMNOIKN-OLZOCXBDSA-N 2 0 233.359 1.915 10 0 BDAERP Cc1cc(C)nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000723877186 711541922 /nfs/dbraw/zinc/54/19/22/711541922.db2.gz RMDOICGWCPNBNO-NWANDNLSSA-N 2 0 245.370 1.868 10 0 BDAERP COC[C@@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000721966224 711695310 /nfs/dbraw/zinc/69/53/10/711695310.db2.gz TVEGCTRRNHMGDE-KGLIPLIRSA-N 2 0 242.407 1.979 10 0 BDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000708341875 712189025 /nfs/dbraw/zinc/18/90/25/712189025.db2.gz WQFCQIBGJGPOQZ-WUHRBBMRSA-N 2 0 238.375 1.471 10 0 BDAERP C[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1C[NH3+] ZINC000708862639 712201222 /nfs/dbraw/zinc/20/12/22/712201222.db2.gz PNXQNHKANZFPMT-MNOVXSKESA-N 2 0 224.373 1.817 10 0 BDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CSC1(C)C)[NH2+]2 ZINC000709344546 712220164 /nfs/dbraw/zinc/22/01/64/712220164.db2.gz JSQDOAPTQVFSOY-ROHXPCBUSA-N 2 0 240.416 1.999 10 0 BDAERP Cc1[nH+]ccc(NC[C@H]2C[C@@H]([NH3+])C2)c1Cl ZINC000715122483 712510833 /nfs/dbraw/zinc/51/08/33/712510833.db2.gz LLGJRWOMYFCFDS-DTORHVGOSA-N 2 0 225.723 1.615 10 0 BDAERP Cc1[nH+]ccc(NC[C@H]2C[C@H]([NH3+])C2)c1Cl ZINC000715131945 712513808 /nfs/dbraw/zinc/51/38/08/712513808.db2.gz LLGJRWOMYFCFDS-KYZUINATSA-N 2 0 225.723 1.615 10 0 BDAERP CCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029510 712800180 /nfs/dbraw/zinc/80/01/80/712800180.db2.gz LWUDOHZSLRQLON-NEPJUHHUSA-N 2 0 241.379 1.104 10 0 BDAERP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720606305 712857819 /nfs/dbraw/zinc/85/78/19/712857819.db2.gz MZWQFLQKQJIRDJ-RNCFNFMXSA-N 2 0 234.347 1.120 10 0 BDAERP C[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2cccc(F)c2)C1 ZINC000036352050 343978995 /nfs/dbraw/zinc/97/89/95/343978995.db2.gz NTVLHMJXZIPRNF-YPMHNXCESA-N 2 0 222.307 1.647 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCSCC2 ZINC000606282893 538929772 /nfs/dbraw/zinc/92/97/72/538929772.db2.gz FPBIGKVTAPOQBA-JTQLQIEISA-N 2 0 214.378 1.695 10 0 BDAERP C[C@@H]1CCSCC[N@@H+]1CC1C[NH2+]C1 ZINC000306643035 361775966 /nfs/dbraw/zinc/77/59/66/361775966.db2.gz VOPHJHJPYFBIOO-SECBINFHSA-N 2 0 200.351 1.033 10 0 BDAERP Cc1cc2nc(C[NH3+])n(CC[NH+](C)C)c2cc1C ZINC000019750978 178301988 /nfs/dbraw/zinc/30/19/88/178301988.db2.gz KIMNBZWZZRHMLF-UHFFFAOYSA-N 2 0 246.358 1.673 10 0 BDAERP Cc1ccc(CC[NH2+]C2CC[NH2+]CC2)o1 ZINC000259178376 349560784 /nfs/dbraw/zinc/56/07/84/349560784.db2.gz WBVFBYWBBHGQTR-UHFFFAOYSA-N 2 0 208.305 1.472 10 0 BDAERP C[C@@H]1CSC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000306648416 361837997 /nfs/dbraw/zinc/83/79/97/361837997.db2.gz CILIKFHOUMSLJD-RGOKHQFPSA-N 2 0 200.351 1.159 10 0 BDAERP C[C@H]1C[NH+]=C(NCC(C)(C)[NH+](C)C)S1 ZINC000043412005 343066345 /nfs/dbraw/zinc/06/63/45/343066345.db2.gz QVAOSKFCESIBPE-QMMMGPOBSA-N 2 0 215.366 1.408 10 0 BDAERP C[C@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000575564122 343079724 /nfs/dbraw/zinc/07/97/24/343079724.db2.gz AESYNSJGQAAOOB-ZIAGYGMSSA-N 2 0 216.328 1.728 10 0 BDAERP CC[C@H](C)[N@H+](C)CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393083 529690635 /nfs/dbraw/zinc/69/06/35/529690635.db2.gz NTKNEXPYMQGAAT-YNEHKIRRSA-N 2 0 227.396 1.304 10 0 BDAERP C[NH+]1CCC(Nc2cc(N)cc[nH+]2)CC1 ZINC000043568882 343173595 /nfs/dbraw/zinc/17/35/95/343173595.db2.gz OVBNYNCHQZBDFS-UHFFFAOYSA-N 2 0 206.293 1.170 10 0 BDAERP C[C@H]([NH3+])[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000034936165 343280964 /nfs/dbraw/zinc/28/09/64/343280964.db2.gz OAIJBTNKFXKXQR-GXTWGEPZSA-N 2 0 233.359 1.322 10 0 BDAERP CCCN1CC[C@@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712083519 537783435 /nfs/dbraw/zinc/78/34/35/537783435.db2.gz DIQWCIRBAUITKB-CYBMUJFWSA-N 3 0 237.391 1.426 10 0 BDAERP CCN1CC[C@@H]([NH3+])C12CC[NH+](CC(C)C)CC2 ZINC000712090541 537783500 /nfs/dbraw/zinc/78/35/00/537783500.db2.gz YAOPQMTVRYFEMF-CYBMUJFWSA-N 3 0 239.407 1.530 10 0 BDAERP CCCNc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000134127437 343788323 /nfs/dbraw/zinc/78/83/23/343788323.db2.gz JUMWDKJCJSJZBK-UHFFFAOYSA-N 2 0 235.335 1.017 10 0 BDAERP [NH3+]CCC[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000409425879 343820980 /nfs/dbraw/zinc/82/09/80/343820980.db2.gz HEPQZUKENCYTJC-GFCCVEGCSA-N 2 0 212.337 1.370 10 0 BDAERP COC[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1C(F)(F)F ZINC000409430497 343808821 /nfs/dbraw/zinc/80/88/21/343808821.db2.gz IQOIQRRSWLARJP-IUCAKERBSA-N 2 0 240.269 1.092 10 0 BDAERP CCOC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1C ZINC000409435585 343834225 /nfs/dbraw/zinc/83/42/25/343834225.db2.gz VLVWIBMQTBAGLV-RYUDHWBXSA-N 2 0 226.364 1.343 10 0 BDAERP OC[C@@]12C[N@@H+](C3CC[NH2+]CC3)C[C@H]1CCCC2 ZINC000409435594 343834500 /nfs/dbraw/zinc/83/45/00/343834500.db2.gz VOUUQZXGPPCBRE-TZMCWYRMSA-N 2 0 238.375 1.223 10 0 BDAERP COC[C@@]12CCC[C@H]1C[N@@H+](C1CC[NH2+]CC1)C2 ZINC000409435036 343835630 /nfs/dbraw/zinc/83/56/30/343835630.db2.gz SBWLFHSGMLGBCY-JSGCOSHPSA-N 2 0 238.375 1.487 10 0 BDAERP COC[C@]12CCC[C@@H]1C[N@@H+](C1CC[NH2+]CC1)C2 ZINC000409435038 343835780 /nfs/dbraw/zinc/83/57/80/343835780.db2.gz SBWLFHSGMLGBCY-TZMCWYRMSA-N 2 0 238.375 1.487 10 0 BDAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1cnccn1 ZINC000257352653 344105678 /nfs/dbraw/zinc/10/56/78/344105678.db2.gz MMEXWKAMBZHGLP-GMTAPVOTSA-N 2 0 220.320 1.397 10 0 BDAERP C[C@H]([NH3+])CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000226682451 344122299 /nfs/dbraw/zinc/12/22/99/344122299.db2.gz JEHUFOMHUTWEDH-GUBZILKMSA-N 2 0 202.367 1.550 10 0 BDAERP C[C@@H]1C[N@@H+](C2CCSCC2)C[C@@H]1[NH3+] ZINC000235333498 344887317 /nfs/dbraw/zinc/88/73/17/344887317.db2.gz LQBKOHAIGIWYFC-SCZZXKLOSA-N 2 0 200.351 1.161 10 0 BDAERP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000248124986 345047763 /nfs/dbraw/zinc/04/77/63/345047763.db2.gz OHDTZRJUOWDDLP-HUUCEWRRSA-N 2 0 248.370 1.431 10 0 BDAERP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000570953499 323082810 /nfs/dbraw/zinc/08/28/10/323082810.db2.gz GIUWDHJQPQNUQB-RWMBFGLXSA-N 2 0 228.380 1.635 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000248152329 345059575 /nfs/dbraw/zinc/05/95/75/345059575.db2.gz XXYORQBLIVDNEL-UONOGXRCSA-N 2 0 234.343 1.089 10 0 BDAERP CC(C)(C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377591 537964712 /nfs/dbraw/zinc/96/47/12/537964712.db2.gz UMDIVSQNDQYLHS-OAHLLOKOSA-N 2 0 248.370 1.608 10 0 BDAERP C[C@H](C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377558 537965067 /nfs/dbraw/zinc/96/50/67/537965067.db2.gz TUWYQMGBNOMHNA-TZMCWYRMSA-N 2 0 234.343 1.218 10 0 BDAERP Cc1cccc(C)c1OC[C@@H](CC[NH3+])[NH+](C)C ZINC000020401567 179047800 /nfs/dbraw/zinc/04/78/00/179047800.db2.gz BGCJSUBRXSWDQD-CYBMUJFWSA-N 2 0 236.359 1.961 10 0 BDAERP FC1([C@H]2CCCCC[NH2+]2)CC[NH2+]CC1 ZINC000158107188 346391189 /nfs/dbraw/zinc/39/11/89/346391189.db2.gz OGVRDCWGRGJRGG-SNVBAGLBSA-N 2 0 200.301 1.610 10 0 BDAERP C(CN[C@@H]1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000128893991 187395586 /nfs/dbraw/zinc/39/55/86/187395586.db2.gz YBEBQQJOLHPZSP-CQSZACIVSA-N 2 0 239.407 1.594 10 0 BDAERP CC(C)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669383008 538006589 /nfs/dbraw/zinc/00/65/89/538006589.db2.gz QXASCBWDLAHMMH-NEPJUHHUSA-N 2 0 212.337 1.095 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335161417 179705260 /nfs/dbraw/zinc/70/52/60/179705260.db2.gz FHDRVANPBZSQHV-DGCLKSJQSA-N 2 0 219.332 1.811 10 0 BDAERP C[N@@H+]1CCC[C@H]1c1cncc(CCC[NH3+])c1 ZINC000199024835 349070222 /nfs/dbraw/zinc/07/02/22/349070222.db2.gz XXOVWVKHRYRBHY-ZDUSSCGKSA-N 2 0 219.332 1.740 10 0 BDAERP [NH3+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C1CC1 ZINC000225935706 349330309 /nfs/dbraw/zinc/33/03/09/349330309.db2.gz YMTFUHMWLZUZGC-ZIAGYGMSSA-N 2 0 216.328 1.856 10 0 BDAERP [NH3+][C@H](CCc1ccccc1)C1CC[NH2+]CC1 ZINC000149555566 538092657 /nfs/dbraw/zinc/09/26/57/538092657.db2.gz UXQNTCXQPHEZRP-CQSZACIVSA-N 2 0 218.344 1.946 10 0 BDAERP CC1(C)SC[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000306712617 350873888 /nfs/dbraw/zinc/87/38/88/350873888.db2.gz ZMEDRHXXNQQGQD-SECBINFHSA-N 2 0 200.351 1.304 10 0 BDAERP CC1(C)CN(CCC(F)F)CCC[NH2+]1 ZINC000306723393 350892139 /nfs/dbraw/zinc/89/21/39/350892139.db2.gz HBKOOKTYPRIYBO-UHFFFAOYSA-N 2 0 206.280 1.716 10 0 BDAERP C[C@@H]1C[C@H](NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000306830933 351145582 /nfs/dbraw/zinc/14/55/82/351145582.db2.gz LXXPHOVTEDRCFA-DGCLKSJQSA-N 2 0 246.358 1.523 10 0 BDAERP C[C@H]1C[C@]2(C[NH+]=C(N)O2)C[N@@H+]1Cc1ccccc1 ZINC000306826925 351136958 /nfs/dbraw/zinc/13/69/58/351136958.db2.gz AQSJBVPWSGXQTA-FZMZJTMJSA-N 2 0 245.326 1.365 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC000306979114 351397510 /nfs/dbraw/zinc/39/75/10/351397510.db2.gz ORMROXDLRJQRDM-PSUDNILRSA-N 2 0 200.713 1.408 10 0 BDAERP [NH3+]C[C@H]1CC[C@H]1N1CCC=C(Cl)C1 ZINC000404387594 351416689 /nfs/dbraw/zinc/41/66/89/351416689.db2.gz GJYYOFOKNGWNDZ-PSASIEDQSA-N 2 0 200.713 1.552 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)CS1 ZINC000307233306 351698992 /nfs/dbraw/zinc/69/89/92/351698992.db2.gz CMQUMJYZNZVGPF-SCZZXKLOSA-N 2 0 200.351 1.222 10 0 BDAERP Cc1cc[nH+]c(NCCC[NH2+]C(C)C)c1 ZINC000577728280 366045475 /nfs/dbraw/zinc/04/54/75/366045475.db2.gz YLYMSZRBTFUNCX-UHFFFAOYSA-N 2 0 207.321 1.612 10 0 BDAERP C[C@@H]1[C@H]([NH3+])CCN1CC1CC(F)(F)C1 ZINC000307254573 351789594 /nfs/dbraw/zinc/78/95/94/351789594.db2.gz XZXDHQDSMGBNAX-VXNVDRBHSA-N 2 0 204.264 1.453 10 0 BDAERP CS[C@@H]1CCN([C@H]2CCCC[NH2+]C2)C1 ZINC000307254989 351790505 /nfs/dbraw/zinc/79/05/05/351790505.db2.gz YZBJLLJZRPNTRA-WDEREUQCSA-N 2 0 214.378 1.566 10 0 BDAERP CC[NH2+][C@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000638071001 351943565 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ZINC000675078861 538515950 /nfs/dbraw/zinc/51/59/50/538515950.db2.gz AJHMDMGYRQQVBY-WDEREUQCSA-N 2 0 212.337 1.128 10 0 BDAERP [NH3+][C@@H]1C=C(c2cc(F)ccc2Cl)CNC1 ZINC000675078541 538516715 /nfs/dbraw/zinc/51/67/15/538516715.db2.gz QLHDARZSLIMSPK-SECBINFHSA-N 2 0 226.682 1.793 10 0 BDAERP CC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675078869 538517383 /nfs/dbraw/zinc/51/73/83/538517383.db2.gz AMFCQJMHQLNKPP-HBNTYKKESA-N 2 0 212.337 1.271 10 0 BDAERP CCC[N@H+](CC)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675079358 538518202 /nfs/dbraw/zinc/51/82/02/538518202.db2.gz FJWSNJGNGZACDP-VXGBXAGGSA-N 2 0 226.364 1.615 10 0 BDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000085014964 538536255 /nfs/dbraw/zinc/53/62/55/538536255.db2.gz WHZFMJJDJUCKBZ-QWHCGFSZSA-N 2 0 204.317 1.904 10 0 BDAERP C[C@@H]([NH2+]CCc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000582480705 357316963 /nfs/dbraw/zinc/31/69/63/357316963.db2.gz QRGBEMHHAOBOSG-TZMCWYRMSA-N 2 0 233.359 1.602 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000231323814 357612357 /nfs/dbraw/zinc/61/23/57/357612357.db2.gz IPBXABXIZGPSES-QWHCGFSZSA-N 2 0 236.363 1.264 10 0 BDAERP CO[C@@H]1CCC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951389 538894547 /nfs/dbraw/zinc/89/45/47/538894547.db2.gz RUUZHICKVWVEAJ-XQHKEYJVSA-N 2 0 226.364 1.341 10 0 BDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(C)o1 ZINC000234740525 357834731 /nfs/dbraw/zinc/83/47/31/357834731.db2.gz JGINEWINQCGPLN-NWDGAFQWSA-N 2 0 240.347 1.993 10 0 BDAERP [NH3+][C@@H]1C=C[C@@H](CN2CCC(F)(F)C2)C1 ZINC000306241463 359421263 /nfs/dbraw/zinc/42/12/63/359421263.db2.gz RGXTZNIZALDUNX-RKDXNWHRSA-N 2 0 202.248 1.231 10 0 BDAERP C[C@@H]1[C@@H](NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000306440769 360005557 /nfs/dbraw/zinc/00/55/57/360005557.db2.gz KUIUBFJHGZESNY-PWSUYJOCSA-N 2 0 232.331 1.132 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@@H]([NH3+])C1 ZINC000306496149 360223165 /nfs/dbraw/zinc/22/31/65/360223165.db2.gz XDNVKGCJSCKKQQ-JXUBOQSCSA-N 2 0 200.351 1.350 10 0 BDAERP CC1(C)C[N@@H+]([C@@H]2CCSC2)CCC[NH2+]1 ZINC000231421879 360335890 /nfs/dbraw/zinc/33/58/90/360335890.db2.gz PGGIIWDTEDIGEP-SNVBAGLBSA-N 2 0 214.378 1.566 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1CCSC[C@H]1C ZINC000306532669 360392377 /nfs/dbraw/zinc/39/23/77/360392377.db2.gz BZMUPNAIEDWXFZ-MXWKQRLJSA-N 2 0 214.378 1.422 10 0 BDAERP CC1(C)CS[C@@](C)([C@H]2CCC[NH2+]2)N1 ZINC000306573339 360463016 /nfs/dbraw/zinc/46/30/16/360463016.db2.gz HLBQQDCZNJRHRJ-SCZZXKLOSA-N 2 0 200.351 1.570 10 0 BDAERP CC1(C)CS[C@](C)([C@H]2CCC[NH2+]2)N1 ZINC000306573338 360463258 /nfs/dbraw/zinc/46/32/58/360463258.db2.gz HLBQQDCZNJRHRJ-PSASIEDQSA-N 2 0 200.351 1.570 10 0 BDAERP C[C@@H]1CC[N@H+](CCC2C[NH2+]C2)CCS1 ZINC000306600666 360527710 /nfs/dbraw/zinc/52/77/10/360527710.db2.gz UBAVOXWMBPUBCL-SNVBAGLBSA-N 2 0 214.378 1.423 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000306620655 361210885 /nfs/dbraw/zinc/21/08/85/361210885.db2.gz VBTASTMWYZDTOS-SECBINFHSA-N 2 0 247.111 1.937 10 0 BDAERP [NH3+]C1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000622043526 370674477 /nfs/dbraw/zinc/67/44/77/370674477.db2.gz CTGHXQQMWKHFLJ-XNWIYYODSA-N 2 0 218.291 1.891 10 0 BDAERP [NH3+]C1(C[N@@H+]2CCCSCC2)CCCC1 ZINC000042444964 181330727 /nfs/dbraw/zinc/33/07/27/181330727.db2.gz ZADPRLVPBITJIM-UHFFFAOYSA-N 2 0 214.378 1.697 10 0 BDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379735538 361374814 /nfs/dbraw/zinc/37/48/14/361374814.db2.gz JAVFMMGVTICWII-VXGBXAGGSA-N 2 0 210.321 1.050 10 0 BDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000629554499 361442917 /nfs/dbraw/zinc/44/29/17/361442917.db2.gz JXSCNSVDUKJACO-ZDEQEGDKSA-N 2 0 226.364 1.389 10 0 BDAERP [NH3+]C1CC[NH+](C2CCC3(CC2)OCCO3)CC1 ZINC000020521503 181343207 /nfs/dbraw/zinc/34/32/07/181343207.db2.gz FOQKTMFVBFDFGM-UHFFFAOYSA-N 2 0 240.347 1.095 10 0 BDAERP CCCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630354782 364077620 /nfs/dbraw/zinc/07/76/20/364077620.db2.gz AYCMXHCWESRCDL-QWRGUYRKSA-N 2 0 200.326 1.225 10 0 BDAERP CO[C@@H]1CN(CCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630359723 364078868 /nfs/dbraw/zinc/07/88/68/364078868.db2.gz HCMXUQLGJBSXJY-GJZGRUSLSA-N 2 0 248.370 1.667 10 0 BDAERP CO[C@@H]1C[N@H+](CC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630365888 364082985 /nfs/dbraw/zinc/08/29/85/364082985.db2.gz WQTXSQJQBQMOJH-RYUDHWBXSA-N 2 0 212.337 1.225 10 0 BDAERP CCC(CC)C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630369130 364086537 /nfs/dbraw/zinc/08/65/37/364086537.db2.gz VJNYUKXOETZUMO-QWHCGFSZSA-N 2 0 228.380 1.861 10 0 BDAERP CC[NH2+]CC[C@@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000725269869 541339135 /nfs/dbraw/zinc/33/91/35/541339135.db2.gz ABIDBBFMEYKHCB-SECBINFHSA-N 2 0 246.276 1.973 10 0 BDAERP C[NH2+]CCOCCNc1cc[nH+]c2ccccc12 ZINC000630530627 364219129 /nfs/dbraw/zinc/21/91/29/364219129.db2.gz MXWFOTXIRWAHMK-UHFFFAOYSA-N 2 0 245.326 1.305 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000049816162 181358823 /nfs/dbraw/zinc/35/88/23/181358823.db2.gz CNDLNEKEDWKMJG-UHFFFAOYSA-N 2 0 216.328 1.784 10 0 BDAERP [NH3+]CC1(N2CCSCC2)CCSCC1 ZINC000042334976 181360876 /nfs/dbraw/zinc/36/08/76/181360876.db2.gz JKZCGZVHOHTPIC-UHFFFAOYSA-N 2 0 232.418 1.260 10 0 BDAERP Cc1cc(N2CCCCC[C@@H]([NH3+])C2)ncn1 ZINC000630551139 364245346 /nfs/dbraw/zinc/24/53/46/364245346.db2.gz ZYUXXRTUXKOYCF-LLVKDONJSA-N 2 0 220.320 1.493 10 0 BDAERP Cc1cc[nH+]c(NCCOCCC[NH3+])c1 ZINC000630533270 364224613 /nfs/dbraw/zinc/22/46/13/364224613.db2.gz AMZBIVHYYQCHHL-UHFFFAOYSA-N 2 0 209.293 1.167 10 0 BDAERP [NH3+]CCCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000037715268 181377105 /nfs/dbraw/zinc/37/71/05/181377105.db2.gz UOBBGOWVCVCCRH-UHFFFAOYSA-N 2 0 222.288 1.244 10 0 BDAERP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000380758789 367299465 /nfs/dbraw/zinc/29/94/65/367299465.db2.gz VRFWMHBJEQRHDB-STQMWFEESA-N 2 0 227.396 1.447 10 0 BDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000383914915 367658447 /nfs/dbraw/zinc/65/84/47/367658447.db2.gz GDUYLLXNSBWQBX-DGCLKSJQSA-N 2 0 220.316 1.609 10 0 BDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000383914918 367658745 /nfs/dbraw/zinc/65/87/45/367658745.db2.gz GDUYLLXNSBWQBX-YPMHNXCESA-N 2 0 220.316 1.609 10 0 BDAERP OC[C@H]([NH2+]C1CC[NH2+]CC1)C1CCCCC1 ZINC000386201358 367929126 /nfs/dbraw/zinc/92/91/26/367929126.db2.gz FRYSNIKDYIMECN-ZDUSSCGKSA-N 2 0 226.364 1.269 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386017501 367898625 /nfs/dbraw/zinc/89/86/25/367898625.db2.gz NXMMKXIXEMSACB-MELADBBJSA-N 2 0 239.407 1.591 10 0 BDAERP CCC[N@H+](CC)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581937823 367964490 /nfs/dbraw/zinc/96/44/90/367964490.db2.gz UWYWTUDBHYAZPF-ZIAGYGMSSA-N 2 0 241.423 1.696 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]2C[NH3+])CCS1 ZINC000252982956 368177992 /nfs/dbraw/zinc/17/79/92/368177992.db2.gz YPJSJJBXXBTJEN-KXUCPTDWSA-N 2 0 200.351 1.161 10 0 BDAERP OCCN1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000108057255 369373009 /nfs/dbraw/zinc/37/30/09/369373009.db2.gz BPQBFYJPBDGSLS-AWEZNQCLSA-N 2 0 234.343 1.233 10 0 BDAERP [NH3+]Cc1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000022154352 181484525 /nfs/dbraw/zinc/48/45/25/181484525.db2.gz IBCMWVMGDVQBKZ-UHFFFAOYSA-N 2 0 233.315 1.180 10 0 BDAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccn1 ZINC000621775229 370523106 /nfs/dbraw/zinc/52/31/06/370523106.db2.gz IZJQEYCUWBYNPA-MELADBBJSA-N 2 0 231.343 1.559 10 0 BDAERP [NH3+][C@@H]1CC[C@@H](C[N@@H+]2CCCSCC2)C1 ZINC000227808739 371941193 /nfs/dbraw/zinc/94/11/93/371941193.db2.gz DSUPSUVYSWWFEF-GHMZBOCLSA-N 2 0 214.378 1.553 10 0 BDAERP CC1(C)C[N@H+](CC2C[NH2+]C2)CCS1 ZINC000133353989 372029446 /nfs/dbraw/zinc/02/94/46/372029446.db2.gz DCMQLVBASJMSSH-UHFFFAOYSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(N)=[NH2+] ZINC000306876903 372074349 /nfs/dbraw/zinc/07/43/49/372074349.db2.gz CBMGVEHJPYJJIR-DGCLKSJQSA-N 2 0 246.358 1.380 10 0 BDAERP CC[NH+](CC)CCNC[C@H]1CCC[N@@H+]1C ZINC000229305115 372139557 /nfs/dbraw/zinc/13/95/57/372139557.db2.gz QCRDWPTZXGYFRD-GFCCVEGCSA-N 2 0 213.369 1.012 10 0 BDAERP C[C@H]1[NH+]=C(NCC[NH+](C)C)SC[C@H]1C ZINC000229744034 372189690 /nfs/dbraw/zinc/18/96/90/372189690.db2.gz UTGKACGJXAGKST-RKDXNWHRSA-N 2 0 215.366 1.265 10 0 BDAERP Cc1nccn1CCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837792 372629683 /nfs/dbraw/zinc/62/96/83/372629683.db2.gz FMFIYEACABBTIO-WCQYABFASA-N 2 0 236.363 1.108 10 0 BDAERP C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000631838633 372634342 /nfs/dbraw/zinc/63/43/42/372634342.db2.gz RXFUTSRGOYQZLY-GRYCIOLGSA-N 2 0 212.337 1.082 10 0 BDAERP Cc1cccc(OCC[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843188 372640780 /nfs/dbraw/zinc/64/07/80/372640780.db2.gz KDNSMHMLXCPQRW-KGLIPLIRSA-N 2 0 248.370 1.900 10 0 BDAERP Cc1cccc(OCC[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843187 372640918 /nfs/dbraw/zinc/64/09/18/372640918.db2.gz KDNSMHMLXCPQRW-KBPBESRZSA-N 2 0 248.370 1.900 10 0 BDAERP CCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862541 169075639 /nfs/dbraw/zinc/07/56/39/169075639.db2.gz OIVCNTZAIVQPRN-GFCCVEGCSA-N 2 0 228.380 1.421 10 0 BDAERP CCC[N@H+](C[C@H](C)C(=O)OC)C1CC[NH2+]CC1 ZINC000037539197 169172422 /nfs/dbraw/zinc/17/24/22/169172422.db2.gz IULQVOBKDVZANM-NSHDSACASA-N 2 0 242.363 1.260 10 0 BDAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])C1CCCC1 ZINC000050272412 169157444 /nfs/dbraw/zinc/15/74/44/169157444.db2.gz RNRBMYYZFUUCAB-AWEZNQCLSA-N 2 0 241.423 1.778 10 0 BDAERP CCC[NH+]1CCC(NC2=[NH+][C@@H](C)CS2)CC1 ZINC000049559148 169187901 /nfs/dbraw/zinc/18/79/01/169187901.db2.gz DAISJRQGGOHKCL-JTQLQIEISA-N 2 0 241.404 1.942 10 0 BDAERP CCC[NH+]1CCN([C@@](C)(C[NH3+])CC(C)C)CC1 ZINC000019504875 169203411 /nfs/dbraw/zinc/20/34/11/169203411.db2.gz FMQQMUCZHPMJSA-CQSZACIVSA-N 2 0 241.423 1.778 10 0 BDAERP CCC[N@@H+]1CCc2nc(CCC[NH3+])sc2C1 ZINC000054139556 169209185 /nfs/dbraw/zinc/20/91/85/169209185.db2.gz FZLOBQUWPVGRMN-UHFFFAOYSA-N 2 0 239.388 1.803 10 0 BDAERP CCC[NH2+]C[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000052372397 169261064 /nfs/dbraw/zinc/26/10/64/169261064.db2.gz BFTHFCMINSEGAK-CYBMUJFWSA-N 2 0 239.407 1.402 10 0 BDAERP CCC[NH2+]C[C@@H](C)N(C)CC1CC[NH+](C)CC1 ZINC000063123985 169261711 /nfs/dbraw/zinc/26/17/11/169261711.db2.gz CHDJLZWHRSTBTA-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000052371260 169262835 /nfs/dbraw/zinc/26/28/35/169262835.db2.gz FPKQPVGTYNDVIE-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000049565121 183394717 /nfs/dbraw/zinc/39/47/17/183394717.db2.gz YZVIQXRIFAVLBG-LSDHHAIUSA-N 2 0 245.370 1.841 10 0 BDAERP CCC[NH2+][C@@H](C)CN1CC[NH+](C2CC2)CC1 ZINC000044472325 169274352 /nfs/dbraw/zinc/27/43/52/169274352.db2.gz HOEVRYRCNNEVID-LBPRGKRZSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCCOCC1 ZINC000061934633 169281788 /nfs/dbraw/zinc/28/17/88/169281788.db2.gz XZLMBVVIEXCTFJ-ZIAGYGMSSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[NH2+][C@H]1CCN(CCC[NH+](C)C)C[C@@H]1C ZINC000049710815 169292008 /nfs/dbraw/zinc/29/20/08/169292008.db2.gz GZOVRLNKKPRKDQ-KBPBESRZSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[C@@H](C)[N@H+](C)CCC(=O)N(C)CCC[NH3+] ZINC000036790066 169364005 /nfs/dbraw/zinc/36/40/05/169364005.db2.gz OHGFNVIIXAOAJJ-GFCCVEGCSA-N 2 0 243.395 1.304 10 0 BDAERP CCC[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OC ZINC000356317494 169385461 /nfs/dbraw/zinc/38/54/61/169385461.db2.gz DXENGOWTEQOAIK-NEPJUHHUSA-N 2 0 214.353 1.533 10 0 BDAERP CC(C)N(C)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000309274526 383831707 /nfs/dbraw/zinc/83/17/07/383831707.db2.gz SMUMPNXKIDJHST-HIFPTAJRSA-N 2 0 227.396 1.575 10 0 BDAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cnccn1 ZINC000070025754 384073755 /nfs/dbraw/zinc/07/37/55/384073755.db2.gz MMEXWKAMBZHGLP-KPPDAEKUSA-N 2 0 220.320 1.397 10 0 BDAERP CC(C)(CCCO)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000227914311 134399512 /nfs/dbraw/zinc/39/95/12/134399512.db2.gz KRZYGTOZESMYBV-LBPRGKRZSA-N 2 0 228.380 1.517 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400419765 384262416 /nfs/dbraw/zinc/26/24/16/384262416.db2.gz WOOKRZCMNBKLTJ-YUTCNCBUSA-N 2 0 230.355 1.914 10 0 BDAERP C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000095075865 384350777 /nfs/dbraw/zinc/35/07/77/384350777.db2.gz AFILRTQJTZQUQW-KGLIPLIRSA-N 2 0 234.343 1.089 10 0 BDAERP NC[C@]1([NH+]2CCCC2)CCCSC1 ZINC000061589829 384519374 /nfs/dbraw/zinc/51/93/74/384519374.db2.gz ZQECYILXRYFKCO-SNVBAGLBSA-N 2 0 200.351 1.307 10 0 BDAERP Cc1cc(NCCC[NH2+]C(C)C)cc[nH+]1 ZINC000561263813 384605048 /nfs/dbraw/zinc/60/50/48/384605048.db2.gz KQZPLPOBPKEGOV-UHFFFAOYSA-N 2 0 207.321 1.612 10 0 BDAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)[NH3+])s1 ZINC000308502936 384770208 /nfs/dbraw/zinc/77/02/08/384770208.db2.gz HMBYXKMYLQLJBO-SSDOTTSWSA-N 2 0 213.350 1.587 10 0 BDAERP CCOc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000258648389 384934610 /nfs/dbraw/zinc/93/46/10/384934610.db2.gz AJXVZJVQDJXSOZ-NSHDSACASA-N 2 0 222.332 1.912 10 0 BDAERP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000307243034 385247609 /nfs/dbraw/zinc/24/76/09/385247609.db2.gz JBNYOYGGGFPKPS-UONOGXRCSA-N 2 0 234.343 1.482 10 0 BDAERP CC[NH+](CC)CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000157933219 385310109 /nfs/dbraw/zinc/31/01/09/385310109.db2.gz KLERMYBJLCRHGQ-CQSZACIVSA-N 2 0 239.407 1.498 10 0 BDAERP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CCSC2)C1 ZINC000258093477 385537683 /nfs/dbraw/zinc/53/76/83/385537683.db2.gz KJGDTWZLCFUXGF-ZJUUUORDSA-N 2 0 200.351 1.033 10 0 BDAERP C1CC[C@H](N2CCCSCC2)C[NH2+]C1 ZINC000054135513 385628680 /nfs/dbraw/zinc/62/86/80/385628680.db2.gz KITHDMLUDSSHGJ-NSHDSACASA-N 2 0 214.378 1.567 10 0 BDAERP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC[NH3+])C12CCC2 ZINC000336734014 385652508 /nfs/dbraw/zinc/65/25/08/385652508.db2.gz GZPVGQBXZSLYTQ-OUAUKWLOSA-N 2 0 212.337 1.128 10 0 BDAERP C[C@H]([NH3+])c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000058019918 385653732 /nfs/dbraw/zinc/65/37/32/385653732.db2.gz KHZKQZBHJZWHPJ-LBPRGKRZSA-N 2 0 233.359 1.454 10 0 BDAERP Cc1cncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000310307148 386176305 /nfs/dbraw/zinc/17/63/05/386176305.db2.gz CXULSKYCEYRRKR-BFHYXJOUSA-N 2 0 231.343 1.559 10 0 BDAERP C[C@H]1COC[C@H](C)[NH+]1CCCC1CC[NH2+]CC1 ZINC000647886637 386299318 /nfs/dbraw/zinc/29/93/18/386299318.db2.gz DMHIIUHMMRLCOF-STQMWFEESA-N 2 0 240.391 1.875 10 0 BDAERP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCC[C@@H]3O)C2)C1 ZINC000310464749 386407186 /nfs/dbraw/zinc/40/71/86/386407186.db2.gz ZAIUNIFATQGSIC-RDBSUJKOSA-N 2 0 238.375 1.318 10 0 BDAERP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398378595 386818959 /nfs/dbraw/zinc/81/89/59/386818959.db2.gz SMISXXCNJJACCT-LLVKDONJSA-N 2 0 222.307 1.833 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000308397033 386928273 /nfs/dbraw/zinc/92/82/73/386928273.db2.gz RBNMBEXQTHNVTM-IFWUJCSASA-N 2 0 238.375 1.804 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000575440079 387127714 /nfs/dbraw/zinc/12/77/14/387127714.db2.gz TWNSLRKTHDMBGQ-SECBINFHSA-N 2 0 214.696 1.784 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000575440164 387127933 /nfs/dbraw/zinc/12/79/33/387127933.db2.gz LVLMWSKVXBOLQN-VIFPVBQESA-N 2 0 218.222 1.843 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1cccc2c1OCCO2 ZINC000575438381 387128758 /nfs/dbraw/zinc/12/87/58/387128758.db2.gz JSEVSRYWLYPVJG-JTQLQIEISA-N 2 0 222.288 1.197 10 0 BDAERP COc1cc(O)ccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440440 387135529 /nfs/dbraw/zinc/13/55/29/387135529.db2.gz VJLIRINJUWIPBZ-NSHDSACASA-N 2 0 224.304 1.530 10 0 BDAERP C[C@@H]1C[N@H+](CC2CSC2)CCC[NH2+]1 ZINC000575491077 387276574 /nfs/dbraw/zinc/27/65/74/387276574.db2.gz ZGULSJSPTVNGAP-SECBINFHSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCSC2)CC[NH2+]1 ZINC000575513198 387384321 /nfs/dbraw/zinc/38/43/21/387384321.db2.gz BNEMMMBJEIODLS-BBBLOLIVSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)CS1 ZINC000575535231 387574873 /nfs/dbraw/zinc/57/48/73/387574873.db2.gz RUKYQHDISYENCR-QGVKSAJWSA-N 2 0 200.351 1.350 10 0 BDAERP CS[C@H]1CC[C@@H]1[NH+]1CCC([NH3+])CC1 ZINC000575567211 387736005 /nfs/dbraw/zinc/73/60/05/387736005.db2.gz YRYHOBLVIAWDAM-UWVGGRQHSA-N 2 0 200.351 1.304 10 0 BDAERP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151335830 387822947 /nfs/dbraw/zinc/82/29/47/387822947.db2.gz WRJXXCWFZBAVHW-ZIAGYGMSSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000422966979 387815705 /nfs/dbraw/zinc/81/57/05/387815705.db2.gz AZNCUKGAOTWENV-IYXRBSQSSA-N 3 0 239.407 1.578 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423102676 387889621 /nfs/dbraw/zinc/88/96/21/387889621.db2.gz OLKBTHXLBLRUHC-ZUWCUPBKSA-N 2 0 240.391 1.920 10 0 BDAERP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400509567 387986234 /nfs/dbraw/zinc/98/62/34/387986234.db2.gz FEDFAYALLYYSIK-KGYLQXTDSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400324013 388115922 /nfs/dbraw/zinc/11/59/22/388115922.db2.gz BYSYJVHZTCDUGD-DRZSPHRISA-N 2 0 226.364 1.125 10 0 BDAERP [NH3+]C1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000575519089 388355801 /nfs/dbraw/zinc/35/58/01/388355801.db2.gz ZVBSIZKSABESJT-KYHHOPLUSA-N 2 0 200.351 1.351 10 0 BDAERP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CC1(C)C ZINC000397637302 388485761 /nfs/dbraw/zinc/48/57/61/388485761.db2.gz XKRKLGFLFMQMLR-OLZOCXBDSA-N 2 0 242.407 1.979 10 0 BDAERP CO[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C(C)C ZINC000362976664 388562707 /nfs/dbraw/zinc/56/27/07/388562707.db2.gz LERHOPVIAWVKNY-VXGBXAGGSA-N 2 0 214.353 1.389 10 0 BDAERP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH2+]CC1)OC ZINC000362977659 388563308 /nfs/dbraw/zinc/56/33/08/388563308.db2.gz SPSPJJPENRXGLV-ZYHUDNBSSA-N 2 0 214.353 1.389 10 0 BDAERP COc1ccc([C@@H]([NH3+])CCC[NH3+])c(C)c1 ZINC000575438167 388622311 /nfs/dbraw/zinc/62/23/11/388622311.db2.gz GSOKTNPKBBDXJR-LBPRGKRZSA-N 2 0 208.305 1.742 10 0 BDAERP [NH3+][C@@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000575465919 388837347 /nfs/dbraw/zinc/83/73/47/388837347.db2.gz HKEARYDKAMHDSV-AWEZNQCLSA-N 2 0 246.354 1.769 10 0 BDAERP CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089198 388986699 /nfs/dbraw/zinc/98/66/99/388986699.db2.gz FGDIYWIMBITZSS-SRVKXCTJSA-N 2 0 214.353 1.125 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566090798 388987446 /nfs/dbraw/zinc/98/74/46/388987446.db2.gz OWDXABWRDAZORL-RWMBFGLXSA-N 2 0 228.380 1.371 10 0 BDAERP C[NH2+]C[C@H]1CCCCN1c1cc[nH+]cc1 ZINC000053706628 132363326 /nfs/dbraw/zinc/36/33/26/132363326.db2.gz GXBYRNWRWRDUSX-GFCCVEGCSA-N 2 0 205.305 1.660 10 0 BDAERP C[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400339914 533376579 /nfs/dbraw/zinc/37/65/79/533376579.db2.gz GNECFCXCXJXGQD-BDAKNGLRSA-N 2 0 224.270 1.917 10 0 BDAERP COCC[N@@H+]1CCN(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000274372694 132202891 /nfs/dbraw/zinc/20/28/91/132202891.db2.gz QNIUGUQMGGVPHV-CYBMUJFWSA-N 2 0 249.358 1.547 10 0 BDAERP C[C@@H](CC[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000049835979 132358476 /nfs/dbraw/zinc/35/84/76/132358476.db2.gz YLKQBALSQMJNCM-AWEZNQCLSA-N 2 0 247.386 1.794 10 0 BDAERP CCC[NH2+]Cc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000051399533 132360766 /nfs/dbraw/zinc/36/07/66/132360766.db2.gz LEHJITXXLUTMEB-UHFFFAOYSA-N 2 0 248.374 1.333 10 0 BDAERP C[NH2+]CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000069730688 132391209 /nfs/dbraw/zinc/39/12/09/132391209.db2.gz ILTZZZSSHMENHM-UHFFFAOYSA-N 2 0 219.332 1.908 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167522722 134002829 /nfs/dbraw/zinc/00/28/29/134002829.db2.gz MRARUHCXXPXOHV-KGLIPLIRSA-N 2 0 239.407 1.401 10 0 BDAERP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251254696 135067374 /nfs/dbraw/zinc/06/73/74/135067374.db2.gz VAPPPIZMCHURJU-XDQVBPFNSA-N 2 0 240.391 1.658 10 0 BDAERP C[NH2+]CCN(C)C[C@H]1CCCC(F)(F)C1 ZINC000261527287 135151191 /nfs/dbraw/zinc/15/11/91/135151191.db2.gz MBQPCOKHSSAXPS-JTQLQIEISA-N 2 0 220.307 1.963 10 0 BDAERP Cn1cc(CC[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261545175 135187048 /nfs/dbraw/zinc/18/70/48/135187048.db2.gz FTEDMVFRDKGKCZ-LBPRGKRZSA-N 2 0 236.363 1.022 10 0 BDAERP Cc1c[nH+]ccc1N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567334 135209403 /nfs/dbraw/zinc/20/94/03/135209403.db2.gz DWLJWXNMLBZDKZ-LBPRGKRZSA-N 2 0 219.332 1.954 10 0 BDAERP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261581408 135222453 /nfs/dbraw/zinc/22/24/53/135222453.db2.gz NOKDPXUKKHIHEZ-RYUDHWBXSA-N 2 0 226.364 1.472 10 0 BDAERP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261581409 135222920 /nfs/dbraw/zinc/22/29/20/135222920.db2.gz NOKDPXUKKHIHEZ-VXGBXAGGSA-N 2 0 226.364 1.472 10 0 BDAERP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263251014 135342917 /nfs/dbraw/zinc/34/29/17/135342917.db2.gz PXMLRUYCYAEAMG-KGYLQXTDSA-N 2 0 226.364 1.125 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000306873699 397932356 /nfs/dbraw/zinc/93/23/56/397932356.db2.gz YDXBQGVUPHBNJN-SECBINFHSA-N 2 0 247.111 1.937 10 0 BDAERP CC1(C[N@@H+]2CCCSCC2)C[NH2+]C1 ZINC000306917728 397951208 /nfs/dbraw/zinc/95/12/08/397951208.db2.gz YFNUZMRFACESFN-UHFFFAOYSA-N 2 0 200.351 1.035 10 0 BDAERP CC(C)C[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075816 167005458 /nfs/dbraw/zinc/00/54/58/167005458.db2.gz CFCABWGXQLMNCX-UHFFFAOYSA-N 2 0 241.423 1.506 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CC[NH+](C)CC1 ZINC000134241539 410448216 /nfs/dbraw/zinc/44/82/16/410448216.db2.gz KAAWUMHFQVLDKA-DMDPSCGWSA-N 2 0 226.364 1.484 10 0 BDAERP CC(C)(C)N1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000665236893 410726292 /nfs/dbraw/zinc/72/62/92/410726292.db2.gz WBQYVYXZFLNGLP-BPCQOVAHSA-N 2 0 239.407 1.719 10 0 BDAERP CC[NH+](CC)CCN(CCC[NH3+])C1CCCC1 ZINC000036732155 169776612 /nfs/dbraw/zinc/77/66/12/169776612.db2.gz ABXCPANTNDAOII-UHFFFAOYSA-N 2 0 241.423 1.922 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCN[C@H]1C)C1CC[NH+](C)CC1 ZINC000396444684 410882575 /nfs/dbraw/zinc/88/25/75/410882575.db2.gz CMDXBIRJHVGXHJ-SGMGOOAPSA-N 2 0 239.407 1.447 10 0 BDAERP CC(C)C[NH2+]CCCN1CCC[C@@H]1C[NH+](C)C ZINC000061654420 167002935 /nfs/dbraw/zinc/00/29/35/167002935.db2.gz GAQVEZXFSPWTBI-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)C[NH2+]C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000063054073 167006563 /nfs/dbraw/zinc/00/65/63/167006563.db2.gz FHNFRKSMSKUJMD-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)C[NH2+]C[C@H](C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062971880 167007158 /nfs/dbraw/zinc/00/71/58/167007158.db2.gz ATUFQAWMQYQKQS-KBPBESRZSA-N 2 0 241.423 1.504 10 0 BDAERP CC(C)C[NH2+]Cc1cnc(CC[NH+](C)C)s1 ZINC000082418197 167010779 /nfs/dbraw/zinc/01/07/79/167010779.db2.gz BAHPHGSEITXLDU-UHFFFAOYSA-N 2 0 241.404 1.993 10 0 BDAERP CC(C)[NH2+]CCN1CC[NH+](CC2CC2)CC1 ZINC000042317825 167105114 /nfs/dbraw/zinc/10/51/14/167105114.db2.gz UJBFGKBEZMUHFA-UHFFFAOYSA-N 2 0 225.380 1.012 10 0 BDAERP CC(C)[NH2+]CCN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000127729080 167106535 /nfs/dbraw/zinc/10/65/35/167106535.db2.gz YXBQBUFCQYTAGQ-TXEJJXNPSA-N 2 0 213.369 1.009 10 0 BDAERP CC(C)[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000053033577 167114933 /nfs/dbraw/zinc/11/49/33/167114933.db2.gz GFTUSEUPQNTIJT-KGLIPLIRSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000403468851 411349398 /nfs/dbraw/zinc/34/93/98/411349398.db2.gz OBEUKASCHVAEFI-ZOLYEBIHSA-N 2 0 208.349 1.763 10 0 BDAERP CC1CCC(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000313391759 168152822 /nfs/dbraw/zinc/15/28/22/168152822.db2.gz VJTBMKDKROGKSH-RUXDESIVSA-N 2 0 240.391 1.862 10 0 BDAERP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000336906989 170022256 /nfs/dbraw/zinc/02/22/56/170022256.db2.gz YKYGDMAGLMJXMK-IHRRRGAJSA-N 2 0 237.391 1.297 10 0 BDAERP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000328277858 170023074 /nfs/dbraw/zinc/02/30/74/170023074.db2.gz RDAVQLVGTWHWMT-UPJWGTAASA-N 2 0 225.380 1.153 10 0 BDAERP CC[NH2+]C1CCN(C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000037485132 170108618 /nfs/dbraw/zinc/10/86/18/170108618.db2.gz FVDYJASLNRAUQV-GFCCVEGCSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711757 170110968 /nfs/dbraw/zinc/11/09/68/170110968.db2.gz YOWZVNFSJQQVIW-ZDUSSCGKSA-N 2 0 240.391 1.613 10 0 BDAERP CC[NH2+]C[C@@H]1CCN(C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000053031364 170119974 /nfs/dbraw/zinc/11/99/74/170119974.db2.gz LBMDMFAZHLXNME-UONOGXRCSA-N 2 0 239.407 1.260 10 0 BDAERP CC[NH2+][C@@H](C)CN1CC[N@H+](CC)[C@H](C)C1 ZINC000082477900 170139321 /nfs/dbraw/zinc/13/93/21/170139321.db2.gz AXPHKWIYYRJFMB-NWDGAFQWSA-N 2 0 213.369 1.010 10 0 BDAERP CC[NH2+][C@@H](C)CN(C)CC[NH+]1CCCC1 ZINC000063051542 170139433 /nfs/dbraw/zinc/13/94/33/170139433.db2.gz MICHLUCZWQWWIU-LBPRGKRZSA-N 2 0 213.369 1.012 10 0 BDAERP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104420287 170140658 /nfs/dbraw/zinc/14/06/58/170140658.db2.gz UMVHJIDKZMECFY-FQUUOJAGSA-N 2 0 240.391 1.610 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@@H]1CN1CC[NH+](C)CC1 ZINC000053861530 170150635 /nfs/dbraw/zinc/15/06/35/170150635.db2.gz GFDHAQFTSVIIHI-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000049713223 170153072 /nfs/dbraw/zinc/15/30/72/170153072.db2.gz VGKKSFWLPZSHAR-MGPQQGTHSA-N 2 0 239.407 1.543 10 0 BDAERP CC[NH2+][C@H](CCN1CC[NH+](C)CC1)C(C)(C)C ZINC000054027005 170161800 /nfs/dbraw/zinc/16/18/00/170161800.db2.gz KDBNZWGPMHCHBS-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP CC[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCCO2)C[C@@H]1C ZINC000042821755 170168273 /nfs/dbraw/zinc/16/82/73/170168273.db2.gz YYEBFZQDUCFRNM-IHRRRGAJSA-N 2 0 240.391 1.875 10 0 BDAERP CCOC(=O)CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565359 170209819 /nfs/dbraw/zinc/20/98/19/170209819.db2.gz GQSQULJNPWXTOZ-VXGBXAGGSA-N 2 0 240.347 1.156 10 0 BDAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](CCO)C2CC2)C1 ZINC000042478781 171040810 /nfs/dbraw/zinc/04/08/10/171040810.db2.gz UIMYNXJQLSBDAO-MBNYWOFBSA-N 2 0 240.391 1.597 10 0 BDAERP CC[C@@H]1C[N@@H+]([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CCO1 ZINC000036769170 171095621 /nfs/dbraw/zinc/09/56/21/171095621.db2.gz CTNYOJWUMUJTHD-AAVRWANBSA-N 2 0 240.391 1.861 10 0 BDAERP CC[C@@]1(C[NH2+]C[C@@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862858 171211731 /nfs/dbraw/zinc/21/17/31/171211731.db2.gz ZVKYJBKXUHPWJS-UONOGXRCSA-N 2 0 240.391 1.925 10 0 BDAERP CC[C@H](C)[N@H+](CCOC)Cc1cc(C[NH3+])no1 ZINC000052547360 171315805 /nfs/dbraw/zinc/31/58/05/171315805.db2.gz DXKXGPGZVPZSDJ-JTQLQIEISA-N 2 0 241.335 1.380 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000055066981 171319129 /nfs/dbraw/zinc/31/91/29/171319129.db2.gz RSCXTZHOOIVXKU-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP CC[C@H](C)[C@H](C[NH2+]C1CC[NH2+]CC1)OC ZINC000362977657 171392638 /nfs/dbraw/zinc/39/26/38/171392638.db2.gz SPSPJJPENRXGLV-JQWIXIFHSA-N 2 0 214.353 1.389 10 0 BDAERP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000665235930 412176503 /nfs/dbraw/zinc/17/65/03/412176503.db2.gz CMOGXXISCYLDOZ-STQMWFEESA-N 2 0 239.407 1.591 10 0 BDAERP CC[C@H]([NH3+])[C@@H](N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000062964049 171487217 /nfs/dbraw/zinc/48/72/17/171487217.db2.gz VWVYKDBVFRPLSM-RWMBFGLXSA-N 2 0 241.423 1.774 10 0 BDAERP CC[C@H]([NH2+]C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000662493898 412193656 /nfs/dbraw/zinc/19/36/56/412193656.db2.gz SXFUDOYHYHOIQB-RYUDHWBXSA-N 2 0 243.395 1.077 10 0 BDAERP C[C@H]([NH2+]CCC(C)(C)F)[C@H]1CC[NH2+]C1 ZINC000665261643 412204204 /nfs/dbraw/zinc/20/42/04/412204204.db2.gz IQLJVCJRLGYJAF-UWVGGRQHSA-N 2 0 202.317 1.712 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000665265365 412208814 /nfs/dbraw/zinc/20/88/14/412208814.db2.gz WGMNKMFAZXKHIY-MROQNXINSA-N 2 0 226.364 1.532 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000665235063 412165452 /nfs/dbraw/zinc/16/54/52/412165452.db2.gz PBHHURWQFPDROB-DRZSPHRISA-N 2 0 226.364 1.125 10 0 BDAERP CCn1cc[nH+]c1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050614399 172227165 /nfs/dbraw/zinc/22/71/65/172227165.db2.gz HBXREEAZAVCBRI-WDEREUQCSA-N 2 0 222.336 1.703 10 0 BDAERP C[NH+](C)CCN(CCC(N)=[NH2+])c1ccccc1 ZINC000019480317 172455181 /nfs/dbraw/zinc/45/51/81/172455181.db2.gz SDAOGLZSXMDCQV-UHFFFAOYSA-N 2 0 234.347 1.381 10 0 BDAERP CN(C)c1ccc(C[C@H](C[NH3+])C[NH+](C)C)cc1 ZINC000011736662 172481887 /nfs/dbraw/zinc/48/18/87/172481887.db2.gz MQMFODWXCSDOGO-CYBMUJFWSA-N 2 0 235.375 1.432 10 0 BDAERP CN(c1ccc(CC[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000104256150 172988199 /nfs/dbraw/zinc/98/81/99/172988199.db2.gz FDQMIHPGXCWBHI-UHFFFAOYSA-N 2 0 247.386 1.718 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CNc1cc[nH+]cc1N ZINC000044563552 173009873 /nfs/dbraw/zinc/00/98/73/173009873.db2.gz CSQHWYGDTNEFGX-JTQLQIEISA-N 2 0 220.320 1.560 10 0 BDAERP CN1CCC[C@@H](NC2=[NH+]CCCS2)C1 ZINC000040715965 173021510 /nfs/dbraw/zinc/02/15/10/173021510.db2.gz BYUARESUNIWODL-SECBINFHSA-N 2 0 213.350 1.163 10 0 BDAERP C[N@@H+]1CCC[C@H](CNC2=[NH+]CCS2)C1 ZINC000044538298 173041966 /nfs/dbraw/zinc/04/19/66/173041966.db2.gz RGFFDXHXNCVYLR-SECBINFHSA-N 2 0 213.350 1.021 10 0 BDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CCCO ZINC000305660229 173050389 /nfs/dbraw/zinc/05/03/89/173050389.db2.gz XTJQPJFJUIRLEF-KBPBESRZSA-N 2 0 240.391 1.708 10 0 BDAERP C[NH+]1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000019394379 173086841 /nfs/dbraw/zinc/08/68/41/173086841.db2.gz GRILZKACBRFVCP-UHFFFAOYSA-N 2 0 237.322 1.032 10 0 BDAERP CN1CC[NH+]([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037157157 173093451 /nfs/dbraw/zinc/09/34/51/173093451.db2.gz STUWIXWQZVSGGK-QWHCGFSZSA-N 2 0 225.380 1.141 10 0 BDAERP C[N@@H+]1CC[C@@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000037485231 173114241 /nfs/dbraw/zinc/11/42/41/173114241.db2.gz DFOUJHIPOSSOSD-VIFPVBQESA-N 2 0 227.377 1.409 10 0 BDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NCC[NH+]1CCCC1)C2 ZINC000020523982 173206907 /nfs/dbraw/zinc/20/69/07/173206907.db2.gz CJDKNXCKYZWWOK-AGUYFDCRSA-N 2 0 237.391 1.297 10 0 BDAERP C[NH2+]CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000083349122 173349810 /nfs/dbraw/zinc/34/98/10/173349810.db2.gz ZJBUNOCDVRZTHV-UHFFFAOYSA-N 2 0 217.316 1.867 10 0 BDAERP C[NH2+]CC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000077306739 173358339 /nfs/dbraw/zinc/35/83/39/173358339.db2.gz LXXOVVLKHXHMBP-GFCCVEGCSA-N 2 0 214.353 1.221 10 0 BDAERP C[NH2+]C[C@@H]1CCCCN1CCC[NH+]1CCCC1 ZINC000042407963 173367241 /nfs/dbraw/zinc/36/72/41/173367241.db2.gz ZKVOIMIRTDVSLF-AWEZNQCLSA-N 2 0 239.407 1.546 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCCC[C@H]2C)CCCOC1 ZINC000104319882 173373229 /nfs/dbraw/zinc/37/32/29/173373229.db2.gz GNMNXHKOVMPVEI-ZIAGYGMSSA-N 2 0 240.391 1.877 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC000051208964 173373656 /nfs/dbraw/zinc/37/36/56/173373656.db2.gz LSXUNTDTXZYXOC-CHWSQXEVSA-N 2 0 226.364 1.487 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484369 173391438 /nfs/dbraw/zinc/39/14/38/173391438.db2.gz AUHVWIIGXFIZIF-JTQLQIEISA-N 2 0 208.305 1.841 10 0 BDAERP COC1CC[NH+](Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000052455235 174027571 /nfs/dbraw/zinc/02/75/71/174027571.db2.gz SYZHNPRPAXWGSV-UHFFFAOYSA-N 2 0 238.331 1.658 10 0 BDAERP COCC[N@H+](C)CC[C@@H]([NH3+])c1ccccc1C ZINC000054022123 174278746 /nfs/dbraw/zinc/27/87/46/174278746.db2.gz KABOXLPHQZWXJK-CQSZACIVSA-N 2 0 236.359 1.963 10 0 BDAERP COCC[NH+](CCOC)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070578523 174296098 /nfs/dbraw/zinc/29/60/98/174296098.db2.gz GSAKKBABIMWQOI-QWHCGFSZSA-N 2 0 244.379 1.099 10 0 BDAERP COCCN(c1ccnc(C[NH3+])c1)[C@H](C)C1CC1 ZINC000051397814 174301922 /nfs/dbraw/zinc/30/19/22/174301922.db2.gz KRXCKAWQESTDMR-LLVKDONJSA-N 2 0 249.358 1.792 10 0 BDAERP COCCN([C@@H](C)COC)[C@@](C)(C[NH3+])C1CC1 ZINC000042602975 174302073 /nfs/dbraw/zinc/30/20/73/174302073.db2.gz JJJVQZPCZWMEIC-AAEUAGOBSA-N 2 0 244.379 1.097 10 0 BDAERP COc1ccc(C[NH3+])c(OCC[NH+](C)C)c1 ZINC000011887350 175097069 /nfs/dbraw/zinc/09/70/69/175097069.db2.gz SANXUDJICNXKAN-UHFFFAOYSA-N 2 0 224.304 1.094 10 0 BDAERP COc1ccc(C[C@H](C[NH3+])C[NH+](C)C)cc1 ZINC000011799979 175117305 /nfs/dbraw/zinc/11/73/05/175117305.db2.gz JYBUIXJNQZBAKO-GFCCVEGCSA-N 2 0 222.332 1.374 10 0 BDAERP COc1ccc([C@@H](C[NH3+])CC[NH3+])c(OC)c1 ZINC000041244628 175178401 /nfs/dbraw/zinc/17/84/01/175178401.db2.gz XGXXBAMIKLZFRM-SECBINFHSA-N 2 0 224.304 1.095 10 0 BDAERP CSC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000564823510 322931446 /nfs/dbraw/zinc/93/14/46/322931446.db2.gz ABXQVZZDHRJJRT-WDEREUQCSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@@H]1CC[N@H+](CCc2ccco2)CCC[NH2+]1 ZINC000049667367 176169576 /nfs/dbraw/zinc/16/95/76/176169576.db2.gz WGJMSNBEEPGDBR-GFCCVEGCSA-N 2 0 222.332 1.896 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H](O)[C@H]1[NH3+] ZINC000245204376 176175193 /nfs/dbraw/zinc/17/51/93/176175193.db2.gz AKYCYJKHFYEHSO-BNOWGMLFSA-N 2 0 234.343 1.217 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccccn1 ZINC000042427382 176201904 /nfs/dbraw/zinc/20/19/04/176201904.db2.gz TYSYXCHVNLVYRH-NEPJUHHUSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[NH+](C)C1 ZINC000037646710 176280568 /nfs/dbraw/zinc/28/05/68/176280568.db2.gz GHVQRJOPFQJKEL-YIYPIFLZSA-N 2 0 239.407 1.256 10 0 BDAERP C[C@@H]1CN([C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[C@@H]1[NH3+] ZINC000049714293 176315703 /nfs/dbraw/zinc/31/57/03/176315703.db2.gz ZNHLNOKGKPEWAD-XJFOESAGSA-N 2 0 237.391 1.282 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C2CCOCC2)C1 ZINC000049666387 176328616 /nfs/dbraw/zinc/32/86/16/176328616.db2.gz ZWNYYZRTWATFJM-VXGBXAGGSA-N 2 0 226.364 1.343 10 0 BDAERP C[C@@H]1COCC[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764352 176336178 /nfs/dbraw/zinc/33/61/78/176336178.db2.gz IALDOYIAYDTJMB-NEPJUHHUSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H](CC[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000042461352 176627234 /nfs/dbraw/zinc/62/72/34/176627234.db2.gz BNVHSYWFANGMIJ-LLVKDONJSA-N 2 0 213.369 1.140 10 0 BDAERP 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C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757211849 586438775 /nfs/dbraw/zinc/43/87/75/586438775.db2.gz JAQBPGKSIXVFHZ-DDTOSNHZSA-N 2 0 232.327 1.887 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757211851 586439044 /nfs/dbraw/zinc/43/90/44/586439044.db2.gz JAQBPGKSIXVFHZ-LERXQTSPSA-N 2 0 232.327 1.887 10 0 BDAERP COC(=O)[C@@H]1CC[NH2+][C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000757210817 586439136 /nfs/dbraw/zinc/43/91/36/586439136.db2.gz HKAJSVRONFAZJX-CHWSQXEVSA-N 2 0 248.326 1.359 10 0 BDAERP [NH3+]C[C@@H]1CC[C@@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757212950 586439466 /nfs/dbraw/zinc/43/94/66/586439466.db2.gz KIOPQEFZWLHDSS-WPRPVWTQSA-N 2 0 224.329 1.560 10 0 BDAERP [NH3+]C[C@@H]1CC[C@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757212948 586439505 /nfs/dbraw/zinc/43/95/05/586439505.db2.gz KIOPQEFZWLHDSS-WCBMZHEXSA-N 2 0 224.329 1.560 10 0 BDAERP C[C@@H]1CCN[C@H](c2ccc(C[NH3+])cc2)[C@H]1[NH3+] ZINC000757213694 586439853 /nfs/dbraw/zinc/43/98/53/586439853.db2.gz 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ZINC000757218247 586441823 /nfs/dbraw/zinc/44/18/23/586441823.db2.gz UQSHEGCIWVNPGJ-WQAKAFBOSA-N 2 0 219.332 1.286 10 0 BDAERP [NH3+]Cc1cccc([C@@H]2[NH2+]CCC[C@H]2C[NH3+])c1 ZINC000757219337 586442369 /nfs/dbraw/zinc/44/23/69/586442369.db2.gz WWQPLEQMRRFRKS-STQMWFEESA-N 3 0 219.332 1.145 10 0 BDAERP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@@H](C)CC[C@H]2C[NH3+])CC[NH2+]1 ZINC000757228613 586442750 /nfs/dbraw/zinc/44/27/50/586442750.db2.gz DEZRIOFLGQIZCS-QWQWKMKNSA-N 3 0 225.380 1.090 10 0 BDAERP CC(C)(C)n1cc([C@@H]2CC[C@@H](C[NH3+])C[NH2+]2)cn1 ZINC000757236493 586443877 /nfs/dbraw/zinc/44/38/77/586443877.db2.gz OPIBWDZKVUSRQL-JQWIXIFHSA-N 2 0 236.363 1.638 10 0 BDAERP CC(C)(C)n1cc([C@H]2C[NH2+]C[C@@H](C[NH3+])C2)cn1 ZINC000757237943 586443904 /nfs/dbraw/zinc/44/39/04/586443904.db2.gz QXFNNWFWUKRONR-GHMZBOCLSA-N 2 0 236.363 1.290 10 0 BDAERP CCn1cc([C@@H]2[NH2+][C@H](C)C[C@@H](C)[C@@H]2C[NH3+])cn1 ZINC000757243231 586445351 /nfs/dbraw/zinc/44/53/51/586445351.db2.gz ZXRDWJGXIUBCJA-AAXDQBDMSA-N 2 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VBGVHMIHSGFKCB-AWEZNQCLSA-N 2 0 239.407 1.676 10 0 BDAERP [NH3+][C@H]1CCCCCN(C[C@H]2CCCO2)C1 ZINC000708996336 712205178 /nfs/dbraw/zinc/20/51/78/712205178.db2.gz QLNNWDZLLODWRH-NWDGAFQWSA-N 2 0 212.337 1.369 10 0 BDAERP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712674404 712440591 /nfs/dbraw/zinc/44/05/91/712440591.db2.gz RXLUJUQGNTUXEV-LLVKDONJSA-N 2 0 241.379 1.057 10 0 BDAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN[C@@H]2C)C[C@H](C)O1 ZINC000724303892 710737856 /nfs/dbraw/zinc/73/78/56/710737856.db2.gz OSBXQUZKIXUQLA-XVIXHAIJSA-N 2 0 240.391 1.920 10 0 BDAERP C[C@@H](CNC1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000038041589 711755306 /nfs/dbraw/zinc/75/53/06/711755306.db2.gz PLIUAZBPTGSJDA-LBPRGKRZSA-N 2 0 225.380 1.202 10 0 BDAERP C[NH2+]C1CC[NH+](CC2CC(OC)C2)CC1 ZINC000705559970 712133052 /nfs/dbraw/zinc/13/30/52/712133052.db2.gz ZTZXSHBGXAWGSB-UHFFFAOYSA-N 2 0 212.337 1.095 10 0 BDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000708341876 712188973 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CCC1([NH3+])CC[NH+]([C@@H](COC)C(C)C)CC1 ZINC000714753643 712497662 /nfs/dbraw/zinc/49/76/62/712497662.db2.gz MDKCXJXQSYWCPE-LBPRGKRZSA-N 2 0 228.380 1.861 10 0 BDAERP COC1CC(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000715015288 712504026 /nfs/dbraw/zinc/50/40/26/712504026.db2.gz IDAZITTZEBENCT-FKZOYECMSA-N 2 0 238.375 1.485 10 0 BDAERP COC1CC(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000715015292 712504034 /nfs/dbraw/zinc/50/40/34/712504034.db2.gz IDAZITTZEBENCT-HHTDUIENSA-N 2 0 238.375 1.485 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000715660461 712529813 /nfs/dbraw/zinc/52/98/13/712529813.db2.gz SOEAYLCXTXXGRI-TUAOUCFPSA-N 2 0 228.405 1.860 10 0 BDAERP CCC[N@H+](C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037469622 712642811 /nfs/dbraw/zinc/64/28/11/712642811.db2.gz KDPQPLCFQOMGRH-ZDUSSCGKSA-N 2 0 226.364 1.629 10 0 BDAERP C(COCC1CCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000313282162 398184794 /nfs/dbraw/zinc/18/47/94/398184794.db2.gz MPXLVNGHCALOPB-CQSZACIVSA-N 2 0 240.391 1.925 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000164111457 538931390 /nfs/dbraw/zinc/93/13/90/538931390.db2.gz LANGQEVFDAMGFD-WCQYABFASA-N 2 0 242.407 1.713 10 0 BDAERP Cc1ccc(C(N)=[NH2+])c(N(C)CCC[NH+](C)C)n1 ZINC000104200818 178368606 /nfs/dbraw/zinc/36/86/06/178368606.db2.gz AIJXCWIHHJXILG-UHFFFAOYSA-N 2 0 249.362 1.062 10 0 BDAERP C[NH+](C)CCc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000149941447 342794574 /nfs/dbraw/zinc/79/45/74/342794574.db2.gz LSYSQFDWMVKSRB-UHFFFAOYSA-N 2 0 247.386 1.590 10 0 BDAERP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000390505594 539022795 /nfs/dbraw/zinc/02/27/95/539022795.db2.gz WTYFIZSWNQHWMK-RWMBFGLXSA-N 2 0 228.380 1.731 10 0 BDAERP C[C@H]1CCC[C@H](C)[NH+]1C1CCN(CC[NH3+])CC1 ZINC000725273974 539027083 /nfs/dbraw/zinc/02/70/83/539027083.db2.gz ZRQBTHOPOFZPSQ-STQMWFEESA-N 2 0 239.407 1.672 10 0 BDAERP [NH3+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000212726915 539027766 /nfs/dbraw/zinc/02/77/66/539027766.db2.gz DVYMZSUMQKZFGP-JQWIXIFHSA-N 2 0 204.273 1.201 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000222589355 259328588 /nfs/dbraw/zinc/32/85/88/259328588.db2.gz OLWBVTNXHCLUPO-MJBXVCDLSA-N 2 0 239.407 1.543 10 0 BDAERP C[C@@H]([NH2+]CCc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000580312133 346893174 /nfs/dbraw/zinc/89/31/74/346893174.db2.gz PAOIPFJALVXHIZ-OCCSQVGLSA-N 2 0 233.359 1.602 10 0 BDAERP COC(C)(C)C[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000020524439 342989446 /nfs/dbraw/zinc/98/94/46/342989446.db2.gz YIUFSNNZNUBEIL-LLVKDONJSA-N 2 0 216.369 1.731 10 0 BDAERP Cc1cc(C)c(N2CC[NH2+]CC2)nc1C ZINC000118733148 343054123 /nfs/dbraw/zinc/05/41/23/343054123.db2.gz XILUTTPHZXWNLO-UHFFFAOYSA-N 2 0 205.305 1.416 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000235953549 343067427 /nfs/dbraw/zinc/06/74/27/343067427.db2.gz KKMGCJJUNXJYNX-VXGBXAGGSA-N 2 0 222.336 1.051 10 0 BDAERP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000562956986 323035116 /nfs/dbraw/zinc/03/51/16/323035116.db2.gz DQTPEZOMEBKYMZ-KGYLQXTDSA-N 2 0 226.364 1.389 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168734908 136269871 /nfs/dbraw/zinc/26/98/71/136269871.db2.gz BLOOEDQOQZDKLB-VXGBXAGGSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[Si](C)(C)C ZINC000401837786 343733953 /nfs/dbraw/zinc/73/39/53/343733953.db2.gz FSRRWKNZONWOPL-ZJUUUORDSA-N 2 0 200.402 1.675 10 0 BDAERP CC1(C)COC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000313015177 343732614 /nfs/dbraw/zinc/73/26/14/343732614.db2.gz FHUXZWYBJABPIE-MNOVXSKESA-N 2 0 212.337 1.143 10 0 BDAERP COCC1(C)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000409426297 343821838 /nfs/dbraw/zinc/82/18/38/343821838.db2.gz BXSBFBKAXRAFBA-UHFFFAOYSA-N 2 0 226.364 1.487 10 0 BDAERP COC[C@H]1C[N@H+](CCC[NH3+])CC12CCCC2 ZINC000409435482 343833785 /nfs/dbraw/zinc/83/37/85/343833785.db2.gz UYQYWTBUZIWROV-GFCCVEGCSA-N 2 0 226.364 1.474 10 0 BDAERP CCOC[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1C ZINC000409435584 343834431 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362803873 /nfs/dbraw/zinc/80/38/73/362803873.db2.gz QRZPYRYCLKTNFE-QWHCGFSZSA-N 2 0 226.364 1.629 10 0 BDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCSC1 ZINC000250436747 362805100 /nfs/dbraw/zinc/80/51/00/362805100.db2.gz SENSVPLMHMUQQO-VWYCJHECSA-N 2 0 214.378 1.551 10 0 BDAERP Cc1cccc([C@H](C[NH3+])N(C)CC[NH+](C)C)c1C ZINC000104199393 179198256 /nfs/dbraw/zinc/19/82/56/179198256.db2.gz YDMMELKECITKRD-HNNXBMFYSA-N 2 0 249.402 1.797 10 0 BDAERP C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccsc1 ZINC000250727085 362818619 /nfs/dbraw/zinc/81/86/19/362818619.db2.gz JPAAFNYKOJPTRZ-MWLCHTKSSA-N 2 0 210.346 1.960 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCSC2)C1 ZINC000250770546 362819625 /nfs/dbraw/zinc/81/96/25/362819625.db2.gz UTNWOJGRNGUCHA-UWVGGRQHSA-N 2 0 200.351 1.033 10 0 BDAERP Cc1[nH+]ccc(N(C)CCC[NH3+])c1Cl ZINC000308653422 348000361 /nfs/dbraw/zinc/00/03/61/348000361.db2.gz LWMVACWZBJLYKG-UHFFFAOYSA-N 2 0 213.712 1.828 10 0 BDAERP C[C@@H]1CC[N@@H+](C2CCSCC2)C[C@H]1[NH3+] ZINC000251768220 362909085 /nfs/dbraw/zinc/90/90/85/362909085.db2.gz UXDFSWBYLJGFOP-MWLCHTKSSA-N 2 0 214.378 1.551 10 0 BDAERP C(CN[C@H]1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000128894186 187395623 /nfs/dbraw/zinc/39/56/23/187395623.db2.gz YBEBQQJOLHPZSP-AWEZNQCLSA-N 2 0 239.407 1.594 10 0 BDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250672086 538023866 /nfs/dbraw/zinc/02/38/66/538023866.db2.gz VEOJNDLOADDGJY-RFQIPJPRSA-N 2 0 238.375 1.506 10 0 BDAERP c1ccc2c(c1)C[C@@H]2C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000250843194 538027676 /nfs/dbraw/zinc/02/76/76/538027676.db2.gz GUXLWIUWISZRMI-RDBSUJKOSA-N 2 0 228.339 1.478 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncnc2[nH]ccc21 ZINC000420189330 192172264 /nfs/dbraw/zinc/17/22/64/192172264.db2.gz DLQSMVQLVNXJLJ-GXSJLCMTSA-N 2 0 245.330 1.887 10 0 BDAERP Cc1nccc(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000054790915 180187747 /nfs/dbraw/zinc/18/77/47/180187747.db2.gz GFDIMLOEABZSHM-UHFFFAOYSA-N 2 0 220.320 1.145 10 0 BDAERP Cc1nccn1CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000049330234 180260898 /nfs/dbraw/zinc/26/08/98/180260898.db2.gz CAZZULDTTGQSOB-ZDUSSCGKSA-N 2 0 248.374 1.265 10 0 BDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088018 490668489 /nfs/dbraw/zinc/66/84/89/490668489.db2.gz YNYPXYRILCKKHW-NSHDSACASA-N 2 0 241.379 1.104 10 0 BDAERP C[C@H]([NH3+])C(C)(C)CN1CCO[C@H](C)C1 ZINC000251934556 362990327 /nfs/dbraw/zinc/99/03/27/362990327.db2.gz ZBRHWOUHXJJJLE-ZJUUUORDSA-N 2 0 200.326 1.081 10 0 BDAERP C[C@H]1C[C@@H]([N@H+](C)C2CC([NH3+])C2)CS1 ZINC000306853344 351177198 /nfs/dbraw/zinc/17/71/98/351177198.db2.gz SYVQMYCJBYLBMU-AUXWQGHOSA-N 2 0 200.351 1.302 10 0 BDAERP CC(C)[N@@H+]1CCOC[C@H](n2ccnc2)C1 ZINC000616658423 351204070 /nfs/dbraw/zinc/20/40/70/351204070.db2.gz FCIRPXHOZWRQTQ-LLVKDONJSA-N 2 0 209.293 1.165 10 0 BDAERP [NH3+]C[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616661574 351210488 /nfs/dbraw/zinc/21/04/88/351210488.db2.gz VGJVEPYIBLDQDC-ZDUSSCGKSA-N 2 0 220.316 1.094 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000306887575 351294509 /nfs/dbraw/zinc/29/45/09/351294509.db2.gz QTVMOHWAHAPHLY-VIFPVBQESA-N 2 0 202.660 1.828 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000306890962 351303431 /nfs/dbraw/zinc/30/34/31/351303431.db2.gz WDRPELBWEYYSBX-SECBINFHSA-N 2 0 247.111 1.937 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]12 ZINC000306979115 351397395 /nfs/dbraw/zinc/39/73/95/351397395.db2.gz ORMROXDLRJQRDM-UIRISSMDSA-N 2 0 200.713 1.408 10 0 BDAERP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@]([NH3+])(CO)C1 ZINC000307159222 351509499 /nfs/dbraw/zinc/50/94/99/351509499.db2.gz UEIFDFMSGWKHLX-ZIAGYGMSSA-N 2 0 234.343 1.361 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccnc(Br)c1 ZINC000307279673 351835947 /nfs/dbraw/zinc/83/59/47/351835947.db2.gz XOFRNJBFIOTMBU-SSDOTTSWSA-N 2 0 230.109 1.193 10 0 BDAERP CC[NH2+][C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000638071004 351943878 /nfs/dbraw/zinc/94/38/78/351943878.db2.gz DBWUHZDXXVOUDE-VXGBXAGGSA-N 2 0 243.395 1.077 10 0 BDAERP C[C@H]1[C@H](N2CC([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000307395351 352569708 /nfs/dbraw/zinc/56/97/08/352569708.db2.gz NOZBBXBXWBRWNJ-SWLSCSKDSA-N 2 0 245.370 1.292 10 0 BDAERP C[C@@H]1C[C@H](C)C[N@H+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273860 538104832 /nfs/dbraw/zinc/10/48/32/538104832.db2.gz NWSAWUIPWASLGS-BETUJISGSA-N 2 0 239.407 1.387 10 0 BDAERP C[C@@H]1CCC[N@@H+](C2CCN(CC[NH3+])CC2)[C@@H]1C ZINC000725273880 538105025 /nfs/dbraw/zinc/10/50/25/538105025.db2.gz PUFBTIVFNBPWMY-CHWSQXEVSA-N 2 0 239.407 1.530 10 0 BDAERP [NH3+][C@H]1CCCN(C[C@@H]2CCCSC2)C1 ZINC000307703572 353046643 /nfs/dbraw/zinc/04/66/43/353046643.db2.gz VTVFSKMXNOBQQC-QWRGUYRKSA-N 2 0 214.378 1.553 10 0 BDAERP CC(C)C[C@@](C)(C[NH3+])N1CCOC[C@H]1C ZINC000035774953 188104129 /nfs/dbraw/zinc/10/41/29/188104129.db2.gz PHMMVWUFPYPFID-NEPJUHHUSA-N 2 0 214.353 1.471 10 0 BDAERP [NH3+]Cc1ccccc1OCC[NH+]1CCCC1 ZINC000011799237 188105350 /nfs/dbraw/zinc/10/53/50/188105350.db2.gz DUAFJHZFJQKIBB-UHFFFAOYSA-N 2 0 220.316 1.620 10 0 BDAERP [NH3+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000022215898 188109379 /nfs/dbraw/zinc/10/93/79/188109379.db2.gz FACNLHQCGKYOBB-OAHLLOKOSA-N 2 0 248.370 1.882 10 0 BDAERP CC(C)[NH+]1CCN(C2(C[NH3+])CCCC2)CC1 ZINC000036170661 188112186 /nfs/dbraw/zinc/11/21/86/188112186.db2.gz GQZWUTMEQLBZBI-UHFFFAOYSA-N 2 0 225.380 1.284 10 0 BDAERP CC(C)[N@H+](C)CCCCN1CCC[NH2+]CC1 ZINC000041680492 188119418 /nfs/dbraw/zinc/11/94/18/188119418.db2.gz GPRMFNNRLJUWBL-UHFFFAOYSA-N 2 0 227.396 1.402 10 0 BDAERP C[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nc1 ZINC000071191659 188130585 /nfs/dbraw/zinc/13/05/85/188130585.db2.gz DWBSTFGXUFNURC-ZDUSSCGKSA-N 2 0 248.374 1.189 10 0 BDAERP C1C[C@H]2[C@@H](C1)[N@@H+]1CC[NH2+]C[C@H]3CCC[C@@H]2[C@@H]31 ZINC000169315491 188161444 /nfs/dbraw/zinc/16/14/44/188161444.db2.gz QBXWFBUGZQGGDY-RKQHYHRCSA-N 2 0 220.360 1.859 10 0 BDAERP C[C@H](CCCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000582175386 355578000 /nfs/dbraw/zinc/57/80/00/355578000.db2.gz CURQQHGGNRPGRM-AGIUHOORSA-N 2 0 228.380 1.373 10 0 BDAERP C[C@@H]1C[NH+](CCC2C[NH2+]C2)C[C@@H](C)S1 ZINC000129712333 355924421 /nfs/dbraw/zinc/92/44/21/355924421.db2.gz MSLINHDEHFZICR-NXEZZACHSA-N 2 0 214.378 1.422 10 0 BDAERP CC[N@H+](CC(C)C)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052449760 538470539 /nfs/dbraw/zinc/47/05/39/538470539.db2.gz QHULBJHNKRIQSH-NEPJUHHUSA-N 2 0 214.353 1.471 10 0 BDAERP OCCN1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000384369239 356626750 /nfs/dbraw/zinc/62/67/50/356626750.db2.gz HPANZYDJYKLGNX-CQSZACIVSA-N 2 0 240.391 1.756 10 0 BDAERP CC1(C)SC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423099537 192567054 /nfs/dbraw/zinc/56/70/54/192567054.db2.gz FKDGBNWPHVWNOA-KJLIAQIISA-N 2 0 226.389 1.753 10 0 BDAERP C[C@@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000582235689 356652291 /nfs/dbraw/zinc/65/22/91/356652291.db2.gz UZQZRQNLAIRHQQ-CHWSQXEVSA-N 2 0 240.391 1.781 10 0 BDAERP CC(C)[N@H+](C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080491 538519663 /nfs/dbraw/zinc/51/96/63/538519663.db2.gz RVBNTZBVYFGHSR-GHMZBOCLSA-N 2 0 212.337 1.223 10 0 BDAERP Cc1cc[nH+]c(NC[C@H]2C[NH2+]CCCO2)c1 ZINC000389873517 357058213 /nfs/dbraw/zinc/05/82/13/357058213.db2.gz CRHSVXCXDQLDIZ-LLVKDONJSA-N 2 0 221.304 1.180 10 0 BDAERP CC(C)[NH2+]Cc1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC000685949081 538891676 /nfs/dbraw/zinc/89/16/76/538891676.db2.gz KETFWBPKMLCMCE-ZDUSSCGKSA-N 2 0 204.317 1.611 10 0 BDAERP [NH3+][C@H]1C[C@@H]([NH+]2CCCCC2)C12CCOCC2 ZINC000685949315 538892536 /nfs/dbraw/zinc/89/25/36/538892536.db2.gz PBYBISMCTJFCAD-NWDGAFQWSA-N 2 0 224.348 1.369 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCC[C@H](C)C1 ZINC000685950937 538894359 /nfs/dbraw/zinc/89/43/59/538894359.db2.gz IPOPEUXOCIBEIZ-WUHRBBMRSA-N 2 0 210.365 1.962 10 0 BDAERP CCOC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C(C)C ZINC000233792494 357749451 /nfs/dbraw/zinc/74/94/51/357749451.db2.gz GPJWIWIEMHKMDJ-STQMWFEESA-N 2 0 228.380 1.779 10 0 BDAERP C(CN[C@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000168709667 134246699 /nfs/dbraw/zinc/24/66/99/134246699.db2.gz UNMJTTMUAHJRJD-ZDUSSCGKSA-N 2 0 225.380 1.204 10 0 BDAERP CC[C@@](C)(O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640015431 358068219 /nfs/dbraw/zinc/06/82/19/358068219.db2.gz IDLCWBUNLBPKMZ-CYBMUJFWSA-N 2 0 242.407 1.954 10 0 BDAERP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000584768892 358170891 /nfs/dbraw/zinc/17/08/91/358170891.db2.gz JQBZQGYSUPMWBA-XHJNMGKDSA-N 2 0 240.391 1.920 10 0 BDAERP CC[N@@H+]1CC[C@](C[NH3+])(c2ccccc2)C1 ZINC000584634016 358317643 /nfs/dbraw/zinc/31/76/43/358317643.db2.gz YEDZOISMUGLCHF-CYBMUJFWSA-N 2 0 204.317 1.609 10 0 BDAERP CCC[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)O)C1 ZINC000578316276 366500257 /nfs/dbraw/zinc/50/02/57/366500257.db2.gz UYBGBUFJYHHTGK-LLVKDONJSA-N 2 0 214.353 1.079 10 0 BDAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCS[C@H]2C)C1 ZINC000300352034 358970310 /nfs/dbraw/zinc/97/03/10/358970310.db2.gz GXTRRXANZGVJFB-MMWGEVLESA-N 2 0 214.378 1.550 10 0 BDAERP C[C@@H](NCC1([NH+](C)C)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578348081 366531212 /nfs/dbraw/zinc/53/12/12/366531212.db2.gz GSWCFEMLRNJRLZ-OLZOCXBDSA-N 2 0 239.407 1.448 10 0 BDAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000247210660 359202340 /nfs/dbraw/zinc/20/23/40/359202340.db2.gz VPXIDSCNRCACQX-SYQHCUMBSA-N 2 0 240.391 1.730 10 0 BDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCSCC1 ZINC000306213134 359306392 /nfs/dbraw/zinc/30/63/92/359306392.db2.gz WVOUINUJHBDIDN-GXSJLCMTSA-N 2 0 214.378 1.470 10 0 BDAERP C[C@H]1SCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000306489450 360179027 /nfs/dbraw/zinc/17/90/27/360179027.db2.gz LMJANJNMQRYJTC-SCZZXKLOSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H]([NH3+])C1 ZINC000306496148 360223401 /nfs/dbraw/zinc/22/34/01/360223401.db2.gz XDNVKGCJSCKKQQ-JLIMGVALSA-N 2 0 200.351 1.350 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1C1CC[NH2+]CC1 ZINC000069761006 360409134 /nfs/dbraw/zinc/40/91/34/360409134.db2.gz CGQSFQFNFIRIGT-SECBINFHSA-N 2 0 200.351 1.176 10 0 BDAERP C[C@@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CCSC[C@H]1C ZINC000306577056 360465052 /nfs/dbraw/zinc/46/50/52/360465052.db2.gz KYWWXDRXWAVKOQ-OUAUKWLOSA-N 2 0 214.378 1.422 10 0 BDAERP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000306611961 360852507 /nfs/dbraw/zinc/85/25/07/360852507.db2.gz HNBAKRAUBSVJDN-GARJFASQSA-N 2 0 214.378 1.612 10 0 BDAERP [NH3+]C1(CO)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000096895827 181332810 /nfs/dbraw/zinc/33/28/10/181332810.db2.gz RCTIFQNFVBPDRS-YIONKMFJSA-N 2 0 246.354 1.503 10 0 BDAERP C1CC1[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CO1 ZINC000629547810 361431564 /nfs/dbraw/zinc/43/15/64/361431564.db2.gz LUVDVKVEZLYUOD-UPJWGTAASA-N 2 0 224.348 1.286 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCC12CC2 ZINC000629554955 361436528 /nfs/dbraw/zinc/43/65/28/361436528.db2.gz OZWAQHOONQJZNT-NSHDSACASA-N 2 0 208.349 1.908 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000051694484 181341070 /nfs/dbraw/zinc/34/10/70/181341070.db2.gz WEVIJCNUIWRWPG-HTAVTVPLSA-N 2 0 210.321 1.539 10 0 BDAERP [NH3+]C1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC000061590654 181345295 /nfs/dbraw/zinc/34/52/95/181345295.db2.gz XVKPKNHQOIHTNJ-SNVBAGLBSA-N 2 0 200.351 1.305 10 0 BDAERP C[C@@H](C[NH+](C)C)NC1=[NH+]C[C@@H](C)S1 ZINC000130673262 364014126 /nfs/dbraw/zinc/01/41/26/364014126.db2.gz NIDARMVLJRDORW-JGVFFNPUSA-N 2 0 201.339 1.017 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@@H]1CCC[NH2+]C1 ZINC000573555636 364857704 /nfs/dbraw/zinc/85/77/04/364857704.db2.gz LVXLQCIBXUDVPO-IGQOVBAYSA-N 2 0 240.391 1.515 10 0 BDAERP C[C@@H]([NH3+])CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000573486359 364844430 /nfs/dbraw/zinc/84/44/30/364844430.db2.gz RGPKJXWQGIPJMI-LLVKDONJSA-N 2 0 249.358 1.215 10 0 BDAERP NC(=O)CC[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000036925694 181380000 /nfs/dbraw/zinc/38/00/00/181380000.db2.gz SFGHNEQHUNXQCU-UHFFFAOYSA-N 2 0 241.379 1.235 10 0 BDAERP [NH3+]CCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000019365788 181391957 /nfs/dbraw/zinc/39/19/57/181391957.db2.gz VUFGQYMLRSZNSV-UHFFFAOYSA-N 2 0 247.386 1.196 10 0 BDAERP [NH3+]CCCOC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000004110582 181384879 /nfs/dbraw/zinc/38/48/79/181384879.db2.gz IBGXCLWTIRDXIN-STQMWFEESA-N 2 0 226.364 1.616 10 0 BDAERP Cc1c(CN2CC[C@@H]([NH3+])C[C@@H]2C)cnn1C ZINC000168847084 365018482 /nfs/dbraw/zinc/01/84/82/365018482.db2.gz TXTSTPCJCKTJFC-JOYOIKCWSA-N 2 0 222.336 1.040 10 0 BDAERP Cc1cnn(CCN[C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000386058844 367906149 /nfs/dbraw/zinc/90/61/49/367906149.db2.gz WXVXRIYGXLYPLM-CHWSQXEVSA-N 2 0 236.363 1.312 10 0 BDAERP [NH3+]C[C@H](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000068591189 181445397 /nfs/dbraw/zinc/44/53/97/181445397.db2.gz GOSJQQCNDGBFAB-AWEZNQCLSA-N 2 0 218.344 1.804 10 0 BDAERP [NH3+][C@@H]1CCCC[C@H]1C[NH+]1CCSCC1 ZINC000060743754 181574327 /nfs/dbraw/zinc/57/43/27/181574327.db2.gz XAWAUWTUQHTTTN-WDEREUQCSA-N 2 0 214.378 1.553 10 0 BDAERP CC[C@@H]1CS[C@]2(C[NH2+]C[C@@H](C)C2)N1 ZINC000401709553 371800430 /nfs/dbraw/zinc/80/04/30/371800430.db2.gz UUZPWTRIOYYPHQ-IVZWLZJFSA-N 2 0 200.351 1.427 10 0 BDAERP C[C@H](C[N@@H+]1CCS[C@@H](C)[C@H]1C)C(N)=[NH2+] ZINC000132440109 371822757 /nfs/dbraw/zinc/82/27/57/371822757.db2.gz VKMLZBJAIIZLSM-HLTSFMKQSA-N 2 0 215.366 1.384 10 0 BDAERP C[C@H]1SCC[N@H+](CC2C[NH2+]C2)[C@@H]1C ZINC000132513573 371847430 /nfs/dbraw/zinc/84/74/30/371847430.db2.gz RTYGXWTZAGWPCR-RKDXNWHRSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@@H]1SCC[N@H+](C2CC([NH3+])C2)[C@H]1C ZINC000132790863 371923608 /nfs/dbraw/zinc/92/36/08/371923608.db2.gz SEDJDUKQKPQYHK-DKEVHCRPSA-N 2 0 200.351 1.302 10 0 BDAERP C[C@H](C[N@@H+]1CCSC[C@@H]1C)[C@H](C)[NH3+] ZINC000228600394 372054923 /nfs/dbraw/zinc/05/49/23/372054923.db2.gz MCGVFZNMQLJIIE-UTLUCORTSA-N 2 0 202.367 1.407 10 0 BDAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH+]1CCSCC1 ZINC000405293436 372153150 /nfs/dbraw/zinc/15/31/50/372153150.db2.gz ZMOVIAPEDZBYDM-BDAKNGLRSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1C[NH3+] ZINC000631836601 372625692 /nfs/dbraw/zinc/62/56/92/372625692.db2.gz CJXHFGCPMNXMFA-JQWIXIFHSA-N 2 0 210.365 1.949 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000631837790 372630245 /nfs/dbraw/zinc/63/02/45/372630245.db2.gz WYEZSTRLFDTPHY-MXWKQRLJSA-N 2 0 232.318 1.948 10 0 BDAERP CC[NH2+][C@@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052061291 170138755 /nfs/dbraw/zinc/13/87/55/170138755.db2.gz GUTYVVFRSMFXIU-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP OCC1([N@@H+]2CCC[NH2+]CC2)CCCCCC1 ZINC000038117225 183037261 /nfs/dbraw/zinc/03/72/61/183037261.db2.gz GTXXMHHDZIZVEE-UHFFFAOYSA-N 2 0 226.364 1.367 10 0 BDAERP CCC[NH+]1CCN(C2(C[NH3+])CCCC2)CC1 ZINC000019487402 169202514 /nfs/dbraw/zinc/20/25/14/169202514.db2.gz MSDLBCVQJJGTKF-UHFFFAOYSA-N 2 0 225.380 1.286 10 0 BDAERP CCC[NH+]1CCN([C@@H](C[NH3+])C(CC)CC)CC1 ZINC000022215889 169202519 /nfs/dbraw/zinc/20/25/19/169202519.db2.gz VDSTXAVUTBLDSA-AWEZNQCLSA-N 2 0 241.423 1.778 10 0 BDAERP CCCN1CC[NH+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578418 169203078 /nfs/dbraw/zinc/20/30/78/169203078.db2.gz TZVUIZKMZRKXEH-KGLIPLIRSA-N 2 0 239.407 1.532 10 0 BDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccccn2)CC1 ZINC000019391543 169203609 /nfs/dbraw/zinc/20/36/09/169203609.db2.gz NKNLWABXZWWXEV-CQSZACIVSA-N 2 0 248.374 1.109 10 0 BDAERP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCCOCC1 ZINC000061934635 169282010 /nfs/dbraw/zinc/28/20/10/169282010.db2.gz XZLMBVVIEXCTFJ-UONOGXRCSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000061712018 169282439 /nfs/dbraw/zinc/28/24/39/169282439.db2.gz ULFOZFICCKPZIP-HZSPNIEDSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCCOCC1 ZINC000061934636 169291830 /nfs/dbraw/zinc/29/18/30/169291830.db2.gz XZLMBVVIEXCTFJ-KBPBESRZSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000037267470 169292110 /nfs/dbraw/zinc/29/21/10/169292110.db2.gz PIBACXHJKNZUQJ-LBPRGKRZSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[C@@H](C[NH2+]C1CC[NH2+]CC1)OC ZINC000356324122 169384435 /nfs/dbraw/zinc/38/44/35/169384435.db2.gz SMKNKMSOJNOWOK-NSHDSACASA-N 2 0 200.326 1.143 10 0 BDAERP CCC[C@@H]([NH3+])[C@@H](CC)N(C)CC[NH+]1CCCC1 ZINC000063051427 169392715 /nfs/dbraw/zinc/39/27/15/169392715.db2.gz QIBJDTXTIOTWER-ZIAGYGMSSA-N 2 0 241.423 1.920 10 0 BDAERP C[NH+](C)CCC[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000035014596 383825981 /nfs/dbraw/zinc/82/59/81/383825981.db2.gz MQTWLMDOKLTUME-FRRDWIJNSA-N 2 0 208.349 1.740 10 0 BDAERP COC1(C(F)(F)F)CCN(CCC[NH3+])CC1 ZINC000409434876 383838903 /nfs/dbraw/zinc/83/89/03/383838903.db2.gz QZVACZSMLNRRCB-UHFFFAOYSA-N 2 0 240.269 1.379 10 0 BDAERP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000572593271 384175893 /nfs/dbraw/zinc/17/58/93/384175893.db2.gz ANJMYUYUYFRWCP-OLZOCXBDSA-N 2 0 240.391 1.659 10 0 BDAERP Clc1nccnc1C[NH2+]CC1CC[NH2+]CC1 ZINC000095070377 384337371 /nfs/dbraw/zinc/33/73/71/384337371.db2.gz QQDHRSVADDRTMU-UHFFFAOYSA-N 2 0 240.738 1.219 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000095074242 384350606 /nfs/dbraw/zinc/35/06/06/384350606.db2.gz OHDTZRJUOWDDLP-GJZGRUSLSA-N 2 0 248.370 1.431 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2ccc[nH]2)CC1 ZINC000100267947 384628951 /nfs/dbraw/zinc/62/89/51/384628951.db2.gz HRKRHXHZODRKNS-AOOOYVTPSA-N 2 0 221.304 1.057 10 0 BDAERP C[C@@H]([NH2+]CCOC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564824700 384682841 /nfs/dbraw/zinc/68/28/41/384682841.db2.gz PUGUPOBOHVZACN-OLZOCXBDSA-N 2 0 240.391 1.923 10 0 BDAERP [NH3+]Cc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000022154525 384738269 /nfs/dbraw/zinc/73/82/69/384738269.db2.gz XINWPYWYRAIXDT-UHFFFAOYSA-N 2 0 233.315 1.180 10 0 BDAERP Cc1ccccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000258840648 384949146 /nfs/dbraw/zinc/94/91/46/384949146.db2.gz GXLBQXACHKFJLS-LBPRGKRZSA-N 2 0 204.317 1.694 10 0 BDAERP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000044527811 385308852 /nfs/dbraw/zinc/30/88/52/385308852.db2.gz PAIBBRIUDWCNKT-VHSXEESVSA-N 2 0 200.351 1.163 10 0 BDAERP CCOC[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000409428959 385328723 /nfs/dbraw/zinc/32/87/23/385328723.db2.gz NKLIPFPYZMEGRL-GFCCVEGCSA-N 2 0 212.337 1.239 10 0 BDAERP c1cn2c(n1)CC[C@H](Nc1ccccn1)C2 ZINC000309321354 385532060 /nfs/dbraw/zinc/53/20/60/385532060.db2.gz FGNVIDYRSMJPAD-JTQLQIEISA-N 2 0 214.272 1.705 10 0 BDAERP c1cn2c(n1)CC[C@@H](Nc1ccccn1)C2 ZINC000309321357 385533011 /nfs/dbraw/zinc/53/30/11/385533011.db2.gz FGNVIDYRSMJPAD-SNVBAGLBSA-N 2 0 214.272 1.705 10 0 BDAERP CS[C@@H]1CC[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000575567210 386087145 /nfs/dbraw/zinc/08/71/45/386087145.db2.gz YRYHOBLVIAWDAM-NXEZZACHSA-N 2 0 200.351 1.304 10 0 BDAERP [NH3+]CCCC[C@H]([NH3+])c1cc(O)cc(O)c1 ZINC000575439476 387123047 /nfs/dbraw/zinc/12/30/47/387123047.db2.gz ABXOVYBQXVFRSH-NSHDSACASA-N 2 0 210.277 1.227 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1cc(F)cc(F)c1 ZINC000575440111 387127136 /nfs/dbraw/zinc/12/71/36/387127136.db2.gz IUSMCCNUACJAGC-JTQLQIEISA-N 2 0 200.232 1.704 10 0 BDAERP COc1cc(F)c([C@@H]([NH3+])CCC[NH3+])c(F)c1 ZINC000575438334 387128932 /nfs/dbraw/zinc/12/89/32/387128932.db2.gz IVRJRAHFQZIENG-JTQLQIEISA-N 2 0 230.258 1.712 10 0 BDAERP C[C@H]([NH2+]CCc1ccsc1)[C@H]1CC[NH2+]C1 ZINC000400437791 387303371 /nfs/dbraw/zinc/30/33/71/387303371.db2.gz NDZLHTQFZCBUQJ-JQWIXIFHSA-N 2 0 224.373 1.878 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CCC[NH2+]C1 ZINC000516016507 387448340 /nfs/dbraw/zinc/44/83/40/387448340.db2.gz DMGIMSWPQGQJDT-MROQNXINSA-N 2 0 226.364 1.532 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000643456026 387493689 /nfs/dbraw/zinc/49/36/89/387493689.db2.gz UXFAKPYKRWELRY-LOWDOPEQSA-N 2 0 226.364 1.268 10 0 BDAERP C[C@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCC[NH2+]C1 ZINC000643471296 387479455 /nfs/dbraw/zinc/47/94/55/387479455.db2.gz OXVCXKPISVAEKL-AHPWVWPOSA-N 2 0 240.391 1.515 10 0 BDAERP C[C@H](C[NH3+])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000575561961 387702389 /nfs/dbraw/zinc/70/23/89/387702389.db2.gz XPIPDBSWUFUVGA-BBBLOLIVSA-N 2 0 200.351 1.304 10 0 BDAERP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151335689 387822248 /nfs/dbraw/zinc/82/22/48/387822248.db2.gz WRJXXCWFZBAVHW-UONOGXRCSA-N 2 0 240.391 1.611 10 0 BDAERP c1ccc(CCCCN[C@H]2CC[NH2+]C2)cc1 ZINC000643458375 387825766 /nfs/dbraw/zinc/82/57/66/387825766.db2.gz SYBRLYNSDQDJSU-AWEZNQCLSA-N 2 0 218.344 1.961 10 0 BDAERP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000423099734 387887745 /nfs/dbraw/zinc/88/77/45/387887745.db2.gz MJUWCPNVUQCREF-CRWXNKLISA-N 2 0 240.391 1.922 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000423160809 387941533 /nfs/dbraw/zinc/94/15/33/387941533.db2.gz HXOCIVZRANQAHN-WTIISPKJSA-N 2 0 208.349 1.892 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000423162720 387943652 /nfs/dbraw/zinc/94/36/52/387943652.db2.gz LTPSLPLLMYVICH-BQUFFADESA-N 2 0 208.349 1.620 10 0 BDAERP COCc1cccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400461638 387956860 /nfs/dbraw/zinc/95/68/60/387956860.db2.gz RSEMWUWLRSKVOW-WFASDCNBSA-N 2 0 248.370 1.921 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000423215442 387996711 /nfs/dbraw/zinc/99/67/11/387996711.db2.gz NWCNTHXOSBNGDE-FXMAPVFUSA-N 2 0 208.349 1.904 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400324014 388115565 /nfs/dbraw/zinc/11/55/65/388115565.db2.gz BYSYJVHZTCDUGD-UHTWSYAYSA-N 2 0 226.364 1.125 10 0 BDAERP COCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336661363 388101902 /nfs/dbraw/zinc/10/19/02/388101902.db2.gz CBUSRTOBUSMZQS-YFKTTZPYSA-N 2 0 212.337 1.081 10 0 BDAERP [NH3+]C1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000086725610 388108213 /nfs/dbraw/zinc/10/82/13/388108213.db2.gz BTEMJEQWGILWQY-UHFFFAOYSA-N 2 0 226.364 1.663 10 0 BDAERP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400415965 388425885 /nfs/dbraw/zinc/42/58/85/388425885.db2.gz VGEKJLCALVIKNQ-UTUOFQBUSA-N 2 0 214.353 1.245 10 0 BDAERP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000397637309 388486324 /nfs/dbraw/zinc/48/63/24/388486324.db2.gz XKRKLGFLFMQMLR-STQMWFEESA-N 2 0 242.407 1.979 10 0 BDAERP CC(=O)Oc1cccc([C@H]([NH3+])CCC[NH3+])c1 ZINC000575438666 388623451 /nfs/dbraw/zinc/62/34/51/388623451.db2.gz NCFQMRXLGCDLRT-GFCCVEGCSA-N 2 0 222.288 1.351 10 0 BDAERP [NH3+][C@H]1C[C@H](C[N@@H+]2CCC=C(Br)C2)C1 ZINC000575482196 388863855 /nfs/dbraw/zinc/86/38/55/388863855.db2.gz FATUMCOIPWYBPY-CZMCAQCFSA-N 2 0 245.164 1.708 10 0 BDAERP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000564825718 388891313 /nfs/dbraw/zinc/89/13/13/388891313.db2.gz DRQSVHQVAFJMMA-AVGNSLFASA-N 2 0 242.407 1.761 10 0 BDAERP Cc1c[nH+]ccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335581979 177654925 /nfs/dbraw/zinc/65/49/25/177654925.db2.gz OUDLGNCZNCFFCX-QWRGUYRKSA-N 2 0 205.305 1.351 10 0 BDAERP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000566088884 388986586 /nfs/dbraw/zinc/98/65/86/388986586.db2.gz GRELXANPIOKREB-KKOKHZNYSA-N 2 0 228.405 1.858 10 0 BDAERP CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566089448 388986643 /nfs/dbraw/zinc/98/66/43/388986643.db2.gz WYAWUVZXKGHEOI-BFHYXJOUSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)CC[NH2+]1 ZINC000575513205 389016941 /nfs/dbraw/zinc/01/69/41/389016941.db2.gz BNEMMMBJEIODLS-UTLUCORTSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@@H]([NH2+]CCc1cccs1)[C@H]1CC[NH2+]C1 ZINC000400436801 533404949 /nfs/dbraw/zinc/40/49/49/533404949.db2.gz MWRFOCJQVYKQDS-MNOVXSKESA-N 2 0 224.373 1.878 10 0 BDAERP C[NH+](C)C1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043568975 132353764 /nfs/dbraw/zinc/35/37/64/132353764.db2.gz LSTCCBOWYFTWGY-UHFFFAOYSA-N 2 0 220.320 1.194 10 0 BDAERP C[C@H](CC(N)=[NH2+])[NH+]1CCN(c2ccccc2)CC1 ZINC000048249733 132355226 /nfs/dbraw/zinc/35/52/26/132355226.db2.gz HSHXDQRTGWEXII-GFCCVEGCSA-N 2 0 246.358 1.523 10 0 BDAERP C[C@@H](C[NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000049835978 132358427 /nfs/dbraw/zinc/35/84/27/132358427.db2.gz OIRROBOMSMRYJJ-CQSZACIVSA-N 2 0 247.386 1.794 10 0 BDAERP [NH3+]Cc1ccc(Cl)cc1N1CC[NH2+]CC1 ZINC000062787039 132388778 /nfs/dbraw/zinc/38/87/78/132388778.db2.gz BWGVUQCMONCLRJ-UHFFFAOYSA-N 2 0 225.723 1.208 10 0 BDAERP CC(C)COCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168711148 134246717 /nfs/dbraw/zinc/24/67/17/134246717.db2.gz BRTZZSBYJKWIJL-CYBMUJFWSA-N 2 0 228.380 1.781 10 0 BDAERP CC(C)(CCCO)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000227914306 134399625 /nfs/dbraw/zinc/39/96/25/134399625.db2.gz KRZYGTOZESMYBV-GFCCVEGCSA-N 2 0 228.380 1.517 10 0 BDAERP C[NH+](C)CCC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000250342825 135090932 /nfs/dbraw/zinc/09/09/32/135090932.db2.gz DLQDDIJWNPFESR-CHWSQXEVSA-N 2 0 228.380 1.421 10 0 BDAERP O[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCCC3)C[C@H]12 ZINC000252857407 135113863 /nfs/dbraw/zinc/11/38/63/135113863.db2.gz IJRSMFUJKWIHKZ-MELADBBJSA-N 2 0 238.375 1.175 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000261533893 135165684 /nfs/dbraw/zinc/16/56/84/135165684.db2.gz KXGUGNAMWNAZEA-YIZRAAEISA-N 2 0 240.269 1.017 10 0 BDAERP Cc1cnn(CC[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261555278 135195543 /nfs/dbraw/zinc/19/55/43/135195543.db2.gz PSALJNNXRTZPFT-GFCCVEGCSA-N 2 0 236.363 1.251 10 0 BDAERP CC1(C)C[N@H+](CCC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000261690482 135246016 /nfs/dbraw/zinc/24/60/16/135246016.db2.gz KSHBJUVYLVGDEF-CYBMUJFWSA-N 3 0 239.407 1.435 10 0 BDAERP CCC(CC)(CC)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263214480 135340465 /nfs/dbraw/zinc/34/04/65/135340465.db2.gz KSDZZAWZWFKCBD-VXGBXAGGSA-N 2 0 228.380 1.373 10 0 BDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]CCC1CCCCC1 ZINC000263317181 135346723 /nfs/dbraw/zinc/34/67/23/135346723.db2.gz ZQROLJWDWGROEP-OLZOCXBDSA-N 2 0 226.364 1.127 10 0 BDAERP C[N@H+](CCN[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000307243115 397991559 /nfs/dbraw/zinc/99/15/59/397991559.db2.gz SPZQVFKSTKSYNM-CQSZACIVSA-N 2 0 233.359 1.070 10 0 BDAERP CC(C)C[NH2+]CCC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000052379479 167003688 /nfs/dbraw/zinc/00/36/88/167003688.db2.gz BIXRPCQHOGSFEL-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)[NH2+]CC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000053659700 167100045 /nfs/dbraw/zinc/10/00/45/167100045.db2.gz MJGHKQIVIPAKKF-CQSZACIVSA-N 2 0 240.391 1.875 10 0 BDAERP Cc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)ccc1F ZINC000258885527 322877803 /nfs/dbraw/zinc/87/78/03/322877803.db2.gz KSRSHICWDKABNI-LBPRGKRZSA-N 2 0 222.307 1.833 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000400483187 410051722 /nfs/dbraw/zinc/05/17/22/410051722.db2.gz CQZCTMXNQUZHJO-QCNOEVLYSA-N 2 0 212.337 1.020 10 0 BDAERP CC(C)(C)[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000037770606 166609137 /nfs/dbraw/zinc/60/91/37/166609137.db2.gz KLYZADYEFHPIDO-UHFFFAOYSA-N 2 0 241.379 1.104 10 0 BDAERP C[C@H]([NH2+]CCc1ccoc1)[C@@H]1CC[NH2+]C1 ZINC000665261447 410736818 /nfs/dbraw/zinc/73/68/18/410736818.db2.gz CQFPUIIEMGCFPE-CMPLNLGQSA-N 2 0 208.305 1.410 10 0 BDAERP 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C[NH2+]CC1(C[NH+]2CCC(O)CC2)CCCC1 ZINC000051207162 173338039 /nfs/dbraw/zinc/33/80/39/173338039.db2.gz LJXMJYFOVCBASP-UHFFFAOYSA-N 2 0 226.364 1.223 10 0 BDAERP C[NH2+]CCC[C@H](C)[N@H+](CCCOC)CCOC ZINC000052543274 173350412 /nfs/dbraw/zinc/35/04/12/173350412.db2.gz OQMMIHYHWLWTDY-ZDUSSCGKSA-N 2 0 246.395 1.359 10 0 BDAERP C[NH2+]CC[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973607 173358281 /nfs/dbraw/zinc/35/82/81/173358281.db2.gz CFHAVZUCWSTNJA-KBPBESRZSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCC2)O1 ZINC000052421287 173370474 /nfs/dbraw/zinc/37/04/74/173370474.db2.gz WAGDNCGTJVKNGD-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP C[NH2+]C[C@@]1(C[NH+]2CCCCCC2)CCOC1 ZINC000051210416 173373034 /nfs/dbraw/zinc/37/30/34/173373034.db2.gz YSQJFBBQUGXSPM-CYBMUJFWSA-N 2 0 226.364 1.489 10 0 BDAERP C[NH2+]C[C@@]1(C[N@H+](C)[C@H](C)CC(C)C)CCOC1 ZINC000051258510 173373045 /nfs/dbraw/zinc/37/30/45/173373045.db2.gz VVIWTGVEEVXYGQ-ZIAGYGMSSA-N 2 0 242.407 1.979 10 0 BDAERP C[NH2+]C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000238857278 173378410 /nfs/dbraw/zinc/37/84/10/173378410.db2.gz YOCQJDXLPANCBZ-ZYHUDNBSSA-N 2 0 222.336 1.022 10 0 BDAERP C[NH2+]Cc1coc(CN2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000104131293 173393303 /nfs/dbraw/zinc/39/33/03/173393303.db2.gz ZAGCGLNKESSDHJ-NSHDSACASA-N 2 0 237.347 1.135 10 0 BDAERP C[NH2+]Cc1occc1C[N@@H+]1CCC[C@@H]1C ZINC000052375791 173399619 /nfs/dbraw/zinc/39/96/19/173399619.db2.gz IEAFWUURWFORSB-JTQLQIEISA-N 2 0 208.305 1.983 10 0 BDAERP C[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCC(O)CC1 ZINC000060720626 173431966 /nfs/dbraw/zinc/43/19/66/173431966.db2.gz QAAJGXJQNLWVPC-DGCLKSJQSA-N 2 0 226.364 1.221 10 0 BDAERP COC1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000037265707 174030476 /nfs/dbraw/zinc/03/04/76/174030476.db2.gz VDRYGTSWQQTUEM-YRGRVCCFSA-N 2 0 240.391 1.861 10 0 BDAERP COCC[N@H+](C)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000051258776 174278506 /nfs/dbraw/zinc/27/85/06/174278506.db2.gz XEDPNDOKSIZJPL-CQSZACIVSA-N 2 0 236.359 1.481 10 0 BDAERP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)C1CC1 ZINC000062911985 174297780 /nfs/dbraw/zinc/29/77/80/174297780.db2.gz HNTDKAHWEOYNMD-GXTWGEPZSA-N 2 0 240.391 1.733 10 0 BDAERP COc1ccc(C[NH+](C)C)cc1C[C@H](C)[NH3+] ZINC000044462989 175094770 /nfs/dbraw/zinc/09/47/70/175094770.db2.gz NEZRDFZJIWGYJB-JTQLQIEISA-N 2 0 222.332 1.647 10 0 BDAERP COc1ccccc1[C@@H](CC[NH3+])C[NH+](C)C ZINC000076611356 175345597 /nfs/dbraw/zinc/34/55/97/175345597.db2.gz RRUNBPGYDSADDO-NSHDSACASA-N 2 0 222.332 1.689 10 0 BDAERP C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000037910037 176109053 /nfs/dbraw/zinc/10/90/53/176109053.db2.gz SURUVCPFRIKIIZ-LLVKDONJSA-N 2 0 247.342 1.568 10 0 BDAERP C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C[NH3+] ZINC000037910047 176109149 /nfs/dbraw/zinc/10/91/49/176109149.db2.gz JPXAHZXDMKRANP-LLVKDONJSA-N 2 0 247.342 1.568 10 0 BDAERP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)C1 ZINC000052484642 176171942 /nfs/dbraw/zinc/17/19/42/176171942.db2.gz MSOHDFGMSNMVSP-BNOWGMLFSA-N 2 0 238.375 1.628 10 0 BDAERP C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000044982832 176172993 /nfs/dbraw/zinc/17/29/93/176172993.db2.gz YXCFYYJLHWPCNU-OLZOCXBDSA-N 2 0 226.364 1.487 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CC1CCOCC1 ZINC000052173158 176224558 /nfs/dbraw/zinc/22/45/58/176224558.db2.gz FOCBECLADCKFDF-DGCLKSJQSA-N 2 0 226.364 1.472 10 0 BDAERP C[C@@H]1C[N@@H+](C2CCC([NH3+])CC2)CCCO1 ZINC000061918725 176281892 /nfs/dbraw/zinc/28/18/92/176281892.db2.gz GUKOFJOCAGZOCM-VOMCLLRMSA-N 2 0 212.337 1.367 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])o2)CCCO1 ZINC000061935391 176303001 /nfs/dbraw/zinc/30/30/01/176303001.db2.gz JTCIICGNBRBQSW-SNVBAGLBSA-N 2 0 224.304 1.349 10 0 BDAERP C[C@H]([C@@H]1CCCO1)[NH+]1CCC[NH2+]CCC1 ZINC000049666237 177030989 /nfs/dbraw/zinc/03/09/89/177030989.db2.gz XAWZSKQWJDPAIN-NEPJUHHUSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217745 177085252 /nfs/dbraw/zinc/08/52/52/177085252.db2.gz HKJGBXOBIKXYGI-KBPBESRZSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@@H]1C[N@@H+](CCCCC[NH3+])C[C@H](C)O1 ZINC000049580594 177247994 /nfs/dbraw/zinc/24/79/94/177247994.db2.gz CVTPSRHBNUNVFZ-PHIMTYICSA-N 2 0 200.326 1.225 10 0 BDAERP C[C@H]1C[N@H+](CCc2ccncc2)CC[C@@H]1[NH3+] ZINC000049712954 177256470 /nfs/dbraw/zinc/25/64/70/177256470.db2.gz BQPLIKLYVZESOT-AAEUAGOBSA-N 2 0 219.332 1.293 10 0 BDAERP C[C@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](C)C2)S1 ZINC000037485234 177281432 /nfs/dbraw/zinc/28/14/32/177281432.db2.gz XHRQKRWYRLLKGD-IUCAKERBSA-N 2 0 213.350 1.019 10 0 BDAERP C[C@H]1C[NH2+]C(C)(C)CN1CCC[NH+](C)C ZINC000041227196 177281568 /nfs/dbraw/zinc/28/15/68/177281568.db2.gz MSYBIPSDSXGYQT-NSHDSACASA-N 2 0 213.369 1.010 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCc2cccnc2)C1 ZINC000049666872 177285221 /nfs/dbraw/zinc/28/52/21/177285221.db2.gz FQRSGEUEXURTQU-KBPBESRZSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@H]1COCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000050952657 177290835 /nfs/dbraw/zinc/29/08/35/177290835.db2.gz JCHWANPHKHJOPX-LBPRGKRZSA-N 2 0 226.364 1.487 10 0 BDAERP C[C@H]1CSC(NC[C@@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000044538328 177302871 /nfs/dbraw/zinc/30/28/71/177302871.db2.gz LHHKXIFFQPXGAT-UWVGGRQHSA-N 2 0 227.377 1.409 10 0 BDAERP COCc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400327143 226340762 /nfs/dbraw/zinc/34/07/62/226340762.db2.gz CPCQSWYBBHNVIY-CHWSQXEVSA-N 2 0 248.370 1.921 10 0 BDAERP C[C@@H]([NH2+]CCOCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400502994 226345340 /nfs/dbraw/zinc/34/53/40/226345340.db2.gz CNXVKXIBUXKDRO-UKRRQHHQSA-N 2 0 248.370 1.791 10 0 BDAERP Cn1cncc1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000314898612 487670289 /nfs/dbraw/zinc/67/02/89/487670289.db2.gz NCYHVXMNLDCDRG-IACUBPJLSA-N 2 0 248.374 1.022 10 0 BDAERP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000306966887 229399563 /nfs/dbraw/zinc/39/95/63/229399563.db2.gz MCRFFJDVKQIGQN-RCWTZXSCSA-N 2 0 214.378 1.326 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000250999031 487745186 /nfs/dbraw/zinc/74/51/86/487745186.db2.gz DHBJHRDCXHSDCT-FVCCEPFGSA-N 2 0 226.364 1.397 10 0 BDAERP CC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[C@H]1[NH3+] ZINC000252934054 487839230 /nfs/dbraw/zinc/83/92/30/487839230.db2.gz DKEKWDAYRNWVIK-DGCLKSJQSA-N 2 0 219.332 1.954 10 0 BDAERP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000562744793 323029842 /nfs/dbraw/zinc/02/98/42/323029842.db2.gz VZDDLNUCKDBIHK-SYQHCUMBSA-N 2 0 240.391 1.779 10 0 BDAERP CSC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570153609 323051587 /nfs/dbraw/zinc/05/15/87/323051587.db2.gz NBXBMIJNXUNIBC-HBNTYKKESA-N 2 0 216.394 1.716 10 0 BDAERP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccn1 ZINC000571550707 323148175 /nfs/dbraw/zinc/14/81/75/323148175.db2.gz RJGVZFQOXOOQKQ-AAEUAGOBSA-N 2 0 249.358 1.568 10 0 BDAERP C[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000571669537 323177254 /nfs/dbraw/zinc/17/72/54/323177254.db2.gz VUZYGIJQSVIYCB-BFHYXJOUSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000566672535 326072398 /nfs/dbraw/zinc/07/23/98/326072398.db2.gz CFLVHZLTJIRMRI-TZMCWYRMSA-N 3 0 239.407 1.306 10 0 BDAERP CCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404887366 326101606 /nfs/dbraw/zinc/10/16/06/326101606.db2.gz NHQRKYLZTBNVRT-NWDGAFQWSA-N 2 0 241.379 1.057 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)[C@H](C)O ZINC000567639405 326237030 /nfs/dbraw/zinc/23/70/30/326237030.db2.gz NDCPTJXPKQGRSZ-KXNHARMFSA-N 2 0 214.353 1.124 10 0 BDAERP CCO[C@@H]1C[N@@H+]([C@@H](C)C(C)C)C[C@H]1C[NH3+] ZINC000405320209 487480945 /nfs/dbraw/zinc/48/09/45/487480945.db2.gz YTVCFNLAIMOLGN-QJPTWQEYSA-N 2 0 214.353 1.327 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]12 ZINC000662266569 490042708 /nfs/dbraw/zinc/04/27/08/490042708.db2.gz NCDSOUXRSLDINL-YTWAJWBKSA-N 2 0 246.301 1.080 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC3CCC3)C[C@H]12 ZINC000398732789 488223614 /nfs/dbraw/zinc/22/36/14/488223614.db2.gz SXSIOKKNBZWESI-RWMBFGLXSA-N 2 0 208.349 1.846 10 0 BDAERP COCCC[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757125488 582500821 /nfs/dbraw/zinc/50/08/21/582500821.db2.gz DVLCYWIMVUZCGQ-QWHCGFSZSA-N 2 0 226.364 1.629 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757147377 582531384 /nfs/dbraw/zinc/53/13/84/582531384.db2.gz SADSCFKSXFOKPS-WDEREUQCSA-N 2 0 210.321 1.197 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757153693 582538136 /nfs/dbraw/zinc/53/81/36/582538136.db2.gz YQVJAGHCHPHGNS-STQMWFEESA-N 2 0 224.348 1.444 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](C2CCOCC2)[NH2+]1 ZINC000757209791 582559850 /nfs/dbraw/zinc/55/98/50/582559850.db2.gz GKLPKHSZCXIFDC-JULQROHOSA-N 2 0 226.364 1.374 10 0 BDAERP C[C@H](NCC[NH+]1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400390045 533856780 /nfs/dbraw/zinc/85/67/80/533856780.db2.gz ZLBPLWQDNQZXDC-KBPBESRZSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@H]1CC[NH2+]C1 ZINC000400456603 533906089 /nfs/dbraw/zinc/90/60/89/533906089.db2.gz QEALQUYKCRYCAJ-SDDRHHMPSA-N 2 0 212.337 1.143 10 0 BDAERP CCC[NH+]1CCC(N[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400350994 528204442 /nfs/dbraw/zinc/20/44/42/528204442.db2.gz MPUWWYQRONRKPP-STQMWFEESA-N 2 0 239.407 1.448 10 0 BDAERP CCCCOCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400744800 528586942 /nfs/dbraw/zinc/58/69/42/528586942.db2.gz UHBXUOCTKPMRER-OLZOCXBDSA-N 2 0 228.380 1.781 10 0 BDAERP COC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757125636 582500010 /nfs/dbraw/zinc/50/00/10/582500010.db2.gz FERQYMNDSKTXDE-AGIUHOORSA-N 2 0 226.364 1.485 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@]2(CCCN2CC[NH+](C)C)C1 ZINC000757125179 582500286 /nfs/dbraw/zinc/50/02/86/582500286.db2.gz DDGRKOOKGLUBIR-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757139726 582520394 /nfs/dbraw/zinc/52/03/94/582520394.db2.gz GYZWVRIUMCNPLV-STQMWFEESA-N 2 0 238.375 1.977 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757141730 582522628 /nfs/dbraw/zinc/52/26/28/582522628.db2.gz PTPNSSSDXYCCHS-NSHDSACASA-N 2 0 226.364 1.833 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@@H](C)C[C@H](C)O2 ZINC000757145017 582526517 /nfs/dbraw/zinc/52/65/17/582526517.db2.gz HOTMWNWISZHZAK-QWRGUYRKSA-N 2 0 212.337 1.585 10 0 BDAERP CC[C@H]1CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757147576 582531792 /nfs/dbraw/zinc/53/17/92/582531792.db2.gz SJEZKBFHDKZFNS-LBPRGKRZSA-N 2 0 224.348 1.729 10 0 BDAERP C1CC1[C@H]1CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757151611 582535535 /nfs/dbraw/zinc/53/55/35/582535535.db2.gz RDXHCWAWFTWSRE-CYBMUJFWSA-N 2 0 236.359 1.729 10 0 BDAERP CC(=O)c1cccc([C@H]2C[C@@H](C[NH3+])CC[NH2+]2)c1 ZINC000757218030 582562571 /nfs/dbraw/zinc/56/25/71/582562571.db2.gz UTRGCHDQFWOCLN-SMDDNHRTSA-N 2 0 232.327 1.889 10 0 BDAERP Cc1cn2c([nH+]1)N[C@@H]([C@@H]1CCC[NH2+]C1)CC2 ZINC000236044488 582636957 /nfs/dbraw/zinc/63/69/57/582636957.db2.gz UTABVZKAPWAVNZ-GHMZBOCLSA-N 2 0 220.320 1.375 10 0 BDAERP CC1(C)CC[NH+](C2CCN(CC[NH3+])CC2)CC1 ZINC000259330197 582823608 /nfs/dbraw/zinc/82/36/08/582823608.db2.gz RMZZJTPXZRCOLA-UHFFFAOYSA-N 2 0 239.407 1.532 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757147357 586428795 /nfs/dbraw/zinc/42/87/95/586428795.db2.gz SADSCFKSXFOKPS-QWRGUYRKSA-N 2 0 210.321 1.197 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@H]1c1ccc(C[NH3+])cc1 ZINC000757209365 586436657 /nfs/dbraw/zinc/43/66/57/586436657.db2.gz DTOFEVSJIPNLEM-ZWNOBZJWSA-N 2 0 204.317 1.858 10 0 BDAERP NC[C@H]1C[C@@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757206947 586437121 /nfs/dbraw/zinc/43/71/21/586437121.db2.gz ATGXSIVKKSHPIO-NWDGAFQWSA-N 2 0 229.327 1.962 10 0 BDAERP NC[C@H]1C[C@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757206965 586437313 /nfs/dbraw/zinc/43/73/13/586437313.db2.gz ATGXSIVKKSHPIO-VXGBXAGGSA-N 2 0 229.327 1.962 10 0 BDAERP [NH3+]Cc1cccc([C@H]2CC[C@@H](C[NH3+])C[NH2+]2)c1 ZINC000757206515 586437376 /nfs/dbraw/zinc/43/73/76/586437376.db2.gz AFJZCGZKMUKAKQ-WCQYABFASA-N 2 0 219.332 1.145 10 0 BDAERP [NH3+]C[C@H]1CCC[NH2+][C@H]1c1cccc(C=O)c1 ZINC000757210105 586438391 /nfs/dbraw/zinc/43/83/91/586438391.db2.gz DYBVBQYVOQAANK-OLZOCXBDSA-N 2 0 218.300 1.499 10 0 BDAERP [NH3+][C@@H]1CC[NH2+][C@@H](c2cccc(C=O)c2)C1 ZINC000757213387 586439559 /nfs/dbraw/zinc/43/95/59/586439559.db2.gz JVAWALPLCSDZHI-VXGBXAGGSA-N 2 0 204.273 1.251 10 0 BDAERP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cccc(C[NH3+])c2)N1 ZINC000757218246 586441676 /nfs/dbraw/zinc/44/16/76/586441676.db2.gz UQSHEGCIWVNPGJ-OASPWFOLSA-N 2 0 219.332 1.286 10 0 BDAERP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@H](C)C[C@H](C)[C@@H]2C[NH3+])CC[NH2+]1 ZINC000757234071 586443289 /nfs/dbraw/zinc/44/32/89/586443289.db2.gz KHVCEHLRTIGJCQ-XOKHJRTDSA-N 3 0 239.407 1.336 10 0 BDAERP Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000757237347 586443743 /nfs/dbraw/zinc/44/37/43/586443743.db2.gz PXMBKHZECYVMFV-GHMZBOCLSA-N 2 0 219.332 1.229 10 0 BDAERP CCn1cc([C@@H]2CC[C@@H](CC[NH3+])C[NH2+]2)cn1 ZINC000757241469 586444636 /nfs/dbraw/zinc/44/46/36/586444636.db2.gz XNGXTFYEEXAAPL-JQWIXIFHSA-N 2 0 222.336 1.293 10 0 BDAERP CCn1cc([C@@H]2[NH2+][C@H](C)C[C@H](C)[C@H]2C[NH3+])cn1 ZINC000757243253 586445391 /nfs/dbraw/zinc/44/53/91/586445391.db2.gz ZXRDWJGXIUBCJA-YGNMPJRFSA-N 2 0 236.363 1.537 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257722691 634481307 /nfs/dbraw/zinc/48/13/07/634481307.db2.gz VYBHJVZIKRYIIW-QWHCGFSZSA-N 2 0 224.348 1.241 10 0 BDAERP C[N@H+](C[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250377963 635467934 /nfs/dbraw/zinc/46/79/34/635467934.db2.gz IRFPNBAPLVTDPV-NWDGAFQWSA-N 2 0 212.337 1.239 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)c1cc[nH+]cc1CO ZINC000126535049 632123011 /nfs/dbraw/zinc/12/30/11/632123011.db2.gz DOPFUAXBDLDMQD-ZDUSSCGKSA-N 2 0 249.358 1.494 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C(C)(C)CO ZINC000052205521 632814986 /nfs/dbraw/zinc/81/49/86/632814986.db2.gz OCULTUAGFNMJRR-LLVKDONJSA-N 2 0 214.353 1.221 10 0 BDAERP CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]c(N)n2)C1 ZINC000108643901 636116626 /nfs/dbraw/zinc/11/66/26/636116626.db2.gz MWHHXDVXDOVXTI-JTQLQIEISA-N 2 0 235.335 1.263 10 0 BDAERP CC(C)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328567156 633776418 /nfs/dbraw/zinc/77/64/18/633776418.db2.gz NNMXLVFFNFDIQX-MCDVFOBDSA-N 2 0 208.349 1.617 10 0 BDAERP CCCC[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000053487614 634209426 /nfs/dbraw/zinc/20/94/26/634209426.db2.gz WNVHZAPPYPCKIU-CYBMUJFWSA-N 2 0 227.396 1.402 10 0 BDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000251654837 636762830 /nfs/dbraw/zinc/76/28/30/636762830.db2.gz GPMYQYDMYDTXTA-MCIONIFRSA-N 2 0 237.391 1.297 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@@H]21 ZINC000164370537 640472494 /nfs/dbraw/zinc/47/24/94/640472494.db2.gz JSCQWLZBEPHUGC-MROQNXINSA-N 2 0 224.348 1.225 10 0 BDAERP Cc1cc[nH+]c(NC[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000227647645 640843076 /nfs/dbraw/zinc/84/30/76/640843076.db2.gz VFSBKXLUFXOGRG-MNOVXSKESA-N 2 0 205.305 1.929 10 0 BDAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cccc(N)c2)[NH2+]1 ZINC000757210066 643370718 /nfs/dbraw/zinc/37/07/18/643370718.db2.gz DTMPPWAYWWQFMY-PJQZNRQZSA-N 2 0 233.359 1.903 10 0 BDAERP CC(=O)c1cccc([C@H]2C[C@H]([NH3+])CC[NH2+]2)c1 ZINC000757211180 643371958 /nfs/dbraw/zinc/37/19/58/643371958.db2.gz GQZVSLOYEFREGN-CHWSQXEVSA-N 2 0 218.300 1.641 10 0 BDAERP CC[N@H+](C[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000249811267 644742362 /nfs/dbraw/zinc/74/23/62/644742362.db2.gz HDJMCMXHXGGUQM-QWHCGFSZSA-N 2 0 226.364 1.629 10 0 BDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@H]3CCCC[C@H]32)C1 ZINC000250889819 644785746 /nfs/dbraw/zinc/78/57/46/644785746.db2.gz XKKIOZKOSJJZMQ-DGAVXFQQSA-N 2 0 238.375 1.757 10 0 BDAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000251680009 644816688 /nfs/dbraw/zinc/81/66/88/644816688.db2.gz VRYJPWNQEQQBLN-QJPTWQEYSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1N(C)C ZINC000251876852 644828154 /nfs/dbraw/zinc/82/81/54/644828154.db2.gz UMAAJOHJSSLERS-ZIAGYGMSSA-N 2 0 241.423 1.778 10 0 BDAERP COC[C@H](C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000721921366 711937110 /nfs/dbraw/zinc/93/71/10/711937110.db2.gz RGOWCOIMAHQSJI-AVGNSLFASA-N 2 0 228.380 1.432 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000708827629 712199951 /nfs/dbraw/zinc/19/99/51/712199951.db2.gz YEZSYQQOWMHHOP-XBFCOCLRSA-N 2 0 240.391 1.454 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1C[NH3+] ZINC000714321645 712482405 /nfs/dbraw/zinc/48/24/05/712482405.db2.gz VQDHJQSIGJEILB-FRRDWIJNSA-N 2 0 240.391 1.861 10 0 BDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000714439343 712488678 /nfs/dbraw/zinc/48/86/78/712488678.db2.gz QGGGLRQDDPSKNS-CYBMUJFWSA-N 2 0 240.391 1.862 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000714752965 712497379 /nfs/dbraw/zinc/49/73/79/712497379.db2.gz GKRXJSHOUNHGAW-IJLUTSLNSA-N 2 0 226.364 1.756 10 0 BDAERP C[N@H+](CCc1ccns1)[C@H]1CCC[NH2+]CC1 ZINC000719845091 712825686 /nfs/dbraw/zinc/82/56/86/712825686.db2.gz LRTRCVVGRPFXST-NSHDSACASA-N 2 0 239.388 1.760 10 0 BDAERP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000723990353 711551455 /nfs/dbraw/zinc/55/14/55/711551455.db2.gz ZGTKYPVGSDMWCL-RDBSUJKOSA-N 2 0 240.391 1.923 10 0 BDAERP CC[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000724009750 711555119 /nfs/dbraw/zinc/55/51/19/711555119.db2.gz NZAZDPZTOHLIHN-DGCLKSJQSA-N 2 0 226.364 1.533 10 0 BDAERP [NH3+][C@@H](CC(F)F)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000310082252 711707932 /nfs/dbraw/zinc/70/79/32/711707932.db2.gz KIJGZKYHWGIFKV-WDEREUQCSA-N 2 0 247.333 1.139 10 0 BDAERP COC[C@@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000721966226 711845487 /nfs/dbraw/zinc/84/54/87/711845487.db2.gz TVEGCTRRNHMGDE-ZIAGYGMSSA-N 2 0 242.407 1.979 10 0 BDAERP C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000709976742 712236816 /nfs/dbraw/zinc/23/68/16/712236816.db2.gz YDDZQIMKLHCLRF-AVGNSLFASA-N 2 0 208.349 1.860 10 0 BDAERP COCC1CC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000713972524 712475687 /nfs/dbraw/zinc/47/56/87/712475687.db2.gz JTDQPKLYTHARNU-MMVSWEMESA-N 2 0 224.348 1.271 10 0 BDAERP COCC1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000713978448 712476040 /nfs/dbraw/zinc/47/60/40/712476040.db2.gz PDHQFHMAMTZIKP-ANNIKCPVSA-N 2 0 238.375 1.389 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H](C)[C@@H]2CCOC2)CC1 ZINC000714754390 712497697 /nfs/dbraw/zinc/49/76/97/712497697.db2.gz TVWBYZRRGIDOJH-NWDGAFQWSA-N 2 0 226.364 1.615 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H](C)[C@@H]2CCCO2)CC1 ZINC000714754877 712497977 /nfs/dbraw/zinc/49/79/77/712497977.db2.gz YWYVVNNOTHXWLI-NEPJUHHUSA-N 2 0 226.364 1.757 10 0 BDAERP CCc1cc(N(CC[NH2+]C)C(C)C)nc(C)n1 ZINC000720791630 712865696 /nfs/dbraw/zinc/86/56/96/712865696.db2.gz PTUBTSHTHPNRMN-UHFFFAOYSA-N 2 0 236.363 1.782 10 0 BDAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955129 538900914 /nfs/dbraw/zinc/90/09/14/538900914.db2.gz UFHMYLPCBFVKRD-QNWHQSFQSA-N 2 0 226.364 1.754 10 0 BDAERP CCc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685965631 538912609 /nfs/dbraw/zinc/91/26/09/538912609.db2.gz LZRLBOCEMINQDE-QWHCGFSZSA-N 2 0 204.317 1.653 10 0 BDAERP C[NH+](C)C[C@@H](O)CC1(C[NH3+])CCCCC1 ZINC000309117785 398196530 /nfs/dbraw/zinc/19/65/30/398196530.db2.gz RSYKDEFBNLIJEM-NSHDSACASA-N 2 0 214.353 1.208 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000576458615 365601791 /nfs/dbraw/zinc/60/17/91/365601791.db2.gz SXFIXMMQSDXOHE-WUHRBBMRSA-N 2 0 226.364 1.268 10 0 BDAERP CCC(CC)N(CCOC)[C@H]1COCC[C@@H]1[NH3+] ZINC000042616097 168375502 /nfs/dbraw/zinc/37/55/02/168375502.db2.gz IGJLLRRLISCDTI-STQMWFEESA-N 2 0 244.379 1.240 10 0 BDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000335517343 398290287 /nfs/dbraw/zinc/29/02/87/398290287.db2.gz JSVMOFIFOKYWDK-CHWSQXEVSA-N 2 0 225.380 1.201 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)NCCc1occc12 ZINC000709974860 539027745 /nfs/dbraw/zinc/02/77/45/539027745.db2.gz FYTDNAMVLGKSRS-CYBMUJFWSA-N 2 0 220.316 1.736 10 0 BDAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CCCSCC1 ZINC000042444058 362000125 /nfs/dbraw/zinc/00/01/25/362000125.db2.gz MOKAAKWGMUGCLU-QMMMGPOBSA-N 2 0 201.339 1.140 10 0 BDAERP C[C@H]1[NH2+]CCC[C@@H]1C[NH+]1CCSCC1 ZINC000306669295 362032458 /nfs/dbraw/zinc/03/24/58/362032458.db2.gz GMYRMMDKVKGWTJ-GHMZBOCLSA-N 2 0 214.378 1.423 10 0 BDAERP CC[C@H](C)[N@H+](C)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393077 529689436 /nfs/dbraw/zinc/68/94/36/529689436.db2.gz NTKNEXPYMQGAAT-RWMBFGLXSA-N 2 0 227.396 1.304 10 0 BDAERP CC[C@H](C)[N@H+](C)CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400393073 529690008 /nfs/dbraw/zinc/69/00/08/529690008.db2.gz NTKNEXPYMQGAAT-AVGNSLFASA-N 2 0 227.396 1.304 10 0 BDAERP CC[NH+](CC)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000179291148 346979625 /nfs/dbraw/zinc/97/96/25/346979625.db2.gz WOQAWIICTLUYLZ-CQSZACIVSA-N 2 0 239.407 1.498 10 0 BDAERP COC[C@@]12C[N@H+](CCC[NH3+])C[C@H]1CCCC2 ZINC000409435566 343834126 /nfs/dbraw/zinc/83/41/26/343834126.db2.gz VLJFTZXUAKUAJC-CHWSQXEVSA-N 2 0 226.364 1.474 10 0 BDAERP C[C@@H]1SCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000235300717 343951817 /nfs/dbraw/zinc/95/18/17/343951817.db2.gz HMEURXZLWQQYLQ-UWVGGRQHSA-N 2 0 200.351 1.176 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H](CO)C2CCCCC2)CC1 ZINC000395191342 344121503 /nfs/dbraw/zinc/12/15/03/344121503.db2.gz OPBQLRJGJNZFLY-RUXDESIVSA-N 2 0 240.391 1.787 10 0 BDAERP C[C@]1(CN2CCSCC2)CCCC[NH2+]1 ZINC000127331737 344141358 /nfs/dbraw/zinc/14/13/58/344141358.db2.gz OJQJKUYXDZPNGJ-LLVKDONJSA-N 2 0 214.378 1.567 10 0 BDAERP Cc1ccc(C[NH2+]CC2CC[NH2+]CC2)o1 ZINC000040719710 344245079 /nfs/dbraw/zinc/24/50/79/344245079.db2.gz YECNTUZTTWYCDE-UHFFFAOYSA-N 2 0 208.305 1.677 10 0 BDAERP C[C@H]1SCCN(CC(C)(C)[NH3+])[C@@H]1C ZINC000220375432 344254066 /nfs/dbraw/zinc/25/40/66/344254066.db2.gz BIALTCZHXRCAKJ-RKDXNWHRSA-N 2 0 202.367 1.550 10 0 BDAERP CCSCC[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000133777834 344321878 /nfs/dbraw/zinc/32/18/78/344321878.db2.gz JUCVGJOAOVGXER-SNVBAGLBSA-N 2 0 216.394 1.860 10 0 BDAERP CC(C)N1CC[NH+]([C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000113222232 537845594 /nfs/dbraw/zinc/84/55/94/537845594.db2.gz QKFGVHIZBSTBKE-KGLIPLIRSA-N 2 0 239.407 1.530 10 0 BDAERP CC1(C)CSC[C@H]([N@@H+]2CC[C@@H](N)C2)C1 ZINC000227554067 344506165 /nfs/dbraw/zinc/50/61/65/344506165.db2.gz BKTVDYPFNTXTPI-NXEZZACHSA-N 2 0 214.378 1.551 10 0 BDAERP C[C@H]1CC[NH2+][C@@H](C2(F)CC[NH2+]CC2)C1 ZINC000158109696 344543807 /nfs/dbraw/zinc/54/38/07/344543807.db2.gz FXEXZCBRFSUENT-VHSXEESVSA-N 2 0 200.301 1.466 10 0 BDAERP CCCn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634999075 345199665 /nfs/dbraw/zinc/19/96/65/345199665.db2.gz PQGBIPCBXFHUTA-DGCLKSJQSA-N 2 0 236.363 1.320 10 0 BDAERP COc1ccccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000635000147 345202098 /nfs/dbraw/zinc/20/20/98/345202098.db2.gz ICFHSHMHMGJWRE-AAEUAGOBSA-N 2 0 234.343 1.722 10 0 BDAERP C[NH2+]C1CCC([NH+]2CCSCC2)CC1 ZINC000157339178 345257405 /nfs/dbraw/zinc/25/74/05/345257405.db2.gz XLJTWKKIAQYXCR-UHFFFAOYSA-N 2 0 214.378 1.566 10 0 BDAERP C[C@H](NC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000580182116 346621552 /nfs/dbraw/zinc/62/15/52/346621552.db2.gz GLAJKSBENFJBHT-XQQFMLRXSA-N 2 0 225.380 1.058 10 0 BDAERP Cc1cccc([C@@H](C[NH3+])N(C)CC[NH+](C)C)c1C ZINC000104199391 179184091 /nfs/dbraw/zinc/18/40/91/179184091.db2.gz YDMMELKECITKRD-OAHLLOKOSA-N 2 0 249.402 1.797 10 0 BDAERP Cc1cccc([C@@H]([C@H](C)[NH3+])N2CC[NH+](C)CC2)c1 ZINC000042965390 179188038 /nfs/dbraw/zinc/18/80/38/179188038.db2.gz XNQBBJGPRCTYSQ-DZGCQCFKSA-N 2 0 247.386 1.631 10 0 BDAERP C[NH2+][C@@H]1CCN(C[C@H]2CCCS2)C1 ZINC000250697241 362816858 /nfs/dbraw/zinc/81/68/58/362816858.db2.gz BTJANXBKQUESSY-NXEZZACHSA-N 2 0 200.351 1.176 10 0 BDAERP C[C@H]1C[C@H](CN2CC[NH2+]C[C@@H]2C)[NH2+][C@@H](C)C1 ZINC000669381758 537994919 /nfs/dbraw/zinc/99/49/19/537994919.db2.gz UJYWZNMSAPNRBO-MROQNXINSA-N 2 0 225.380 1.057 10 0 BDAERP C[C@@H]1C[C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)C1 ZINC000669381593 537994808 /nfs/dbraw/zinc/99/48/08/537994808.db2.gz OSFFGEWHKUTJOP-AGIUHOORSA-N 2 0 225.380 1.010 10 0 BDAERP COC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595908387 348397312 /nfs/dbraw/zinc/39/73/12/348397312.db2.gz HRAMSVATFQHBCV-VXGBXAGGSA-N 2 0 242.363 1.389 10 0 BDAERP CC(C)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669383010 538006924 /nfs/dbraw/zinc/00/69/24/538006924.db2.gz QXASCBWDLAHMMH-NWDGAFQWSA-N 2 0 212.337 1.095 10 0 BDAERP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[NH2+]2)n1 ZINC000616578284 349124412 /nfs/dbraw/zinc/12/44/12/349124412.db2.gz KXNCSGVPIGHVLH-LLVKDONJSA-N 2 0 220.320 1.271 10 0 BDAERP CC(C)(C)[C@@H](O)C[NH2+]CCCCn1ccnc1 ZINC000302371368 350083837 /nfs/dbraw/zinc/08/38/37/350083837.db2.gz KWXPAOSNFLZDMK-LBPRGKRZSA-N 2 0 239.363 1.660 10 0 BDAERP CCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000328510372 490297546 /nfs/dbraw/zinc/29/75/46/490297546.db2.gz NKJVUIPSCYPIMT-YNEHKIRRSA-N 2 0 226.364 1.364 10 0 BDAERP C[C@H](C[NH3+])[C@H](C)[N@@H+]1CCSC[C@@H]1C ZINC000222159923 350128645 /nfs/dbraw/zinc/12/86/45/350128645.db2.gz ULTHJTTVIOSKEX-UTLUCORTSA-N 2 0 202.367 1.407 10 0 BDAERP C[N@@H+]1CCC[C@@H]1COc1cc(C[NH3+])ccn1 ZINC000222896465 350255157 /nfs/dbraw/zinc/25/51/57/350255157.db2.gz FFLPWLPOGYRRCB-LLVKDONJSA-N 2 0 221.304 1.013 10 0 BDAERP [NH3+]Cc1ccc(C2=CC[C@@]3(C[C@H]3[NH3+])CC2)nc1F ZINC000725265259 538091895 /nfs/dbraw/zinc/09/18/95/538091895.db2.gz VAQISBMZIHBVAI-OCCSQVGLSA-N 2 0 247.317 1.964 10 0 BDAERP C[C@H](CC[NH3+])[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226666407 350447164 /nfs/dbraw/zinc/44/71/64/350447164.db2.gz BIFJZLQQNHZCBM-BBBLOLIVSA-N 2 0 202.367 1.550 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC000251891957 362980067 /nfs/dbraw/zinc/98/00/67/362980067.db2.gz VQSPBDVAJFBPSG-MNOVXSKESA-N 2 0 214.378 1.566 10 0 BDAERP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000306701724 350850929 /nfs/dbraw/zinc/85/09/29/350850929.db2.gz HDJVVGLCQZERFX-UWVGGRQHSA-N 2 0 216.394 1.940 10 0 BDAERP C[C@H]([NH3+])CC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253068886 350918824 /nfs/dbraw/zinc/91/88/24/350918824.db2.gz LEAFAGPQWYQDML-AEJSXWLSSA-N 2 0 202.367 1.550 10 0 BDAERP CNc1ccccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616620589 350944311 /nfs/dbraw/zinc/94/43/11/350944311.db2.gz ITMUXTPDADHPHP-LBPRGKRZSA-N 2 0 233.359 1.866 10 0 BDAERP C[C@@H]1C[C@@H](NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000306830935 351145323 /nfs/dbraw/zinc/14/53/23/351145323.db2.gz LXXPHOVTEDRCFA-YPMHNXCESA-N 2 0 246.358 1.523 10 0 BDAERP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664087 351215475 /nfs/dbraw/zinc/21/54/75/351215475.db2.gz NRMHJWSWBSSUPB-CQSZACIVSA-N 2 0 234.343 1.626 10 0 BDAERP C[C@H]1C[N@@H+](C2CSC2)C[C@]1(C)C[NH3+] ZINC000307030470 351431904 /nfs/dbraw/zinc/43/19/04/351431904.db2.gz PNHLAICTZZPUTE-WPRPVWTQSA-N 2 0 200.351 1.019 10 0 BDAERP [NH3+]C[C@@H]1CC[C@H]1N1CCC=C(Cl)C1 ZINC000404388045 351416335 /nfs/dbraw/zinc/41/63/35/351416335.db2.gz GJYYOFOKNGWNDZ-WCBMZHEXSA-N 2 0 200.713 1.552 10 0 BDAERP CS[C@@H]1CCN([C@@H]2CCC[NH2+]C2)C1 ZINC000307139210 351494954 /nfs/dbraw/zinc/49/49/54/351494954.db2.gz HQKIFGOPBIMRSK-NXEZZACHSA-N 2 0 200.351 1.176 10 0 BDAERP CC1(CO)CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000334320499 535163197 /nfs/dbraw/zinc/16/31/97/535163197.db2.gz ZWEVJGBYKLNXPR-GFCCVEGCSA-N 2 0 226.364 1.080 10 0 BDAERP C[C@H](C[NH3+])C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000307296907 351907413 /nfs/dbraw/zinc/90/74/13/351907413.db2.gz RKKOMYCZVYTMOE-NXEZZACHSA-N 2 0 245.367 1.084 10 0 BDAERP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CS1 ZINC000252173404 363190832 /nfs/dbraw/zinc/19/08/32/363190832.db2.gz ROHVGCQXGVDKDA-VLEAKVRGSA-N 2 0 214.378 1.550 10 0 BDAERP C[N@H+](Cc1ccccc1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223110061 353136512 /nfs/dbraw/zinc/13/65/12/353136512.db2.gz SUEVMBMZZZPHAP-OLZOCXBDSA-N 2 0 204.317 1.998 10 0 BDAERP C(CN1CC[NH2+]CC1)C[NH+]1CCCCCC1 ZINC000020270253 188108547 /nfs/dbraw/zinc/10/85/47/188108547.db2.gz FQEMMABSHYOJFK-UHFFFAOYSA-N 2 0 225.380 1.158 10 0 BDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)C2CC2)CC1 ZINC000037080812 188113567 /nfs/dbraw/zinc/11/35/67/188113567.db2.gz BPDAIRSPQPXPBB-UHFFFAOYSA-N 2 0 225.380 1.282 10 0 BDAERP c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]1)C=[NH+]2 ZINC000095080708 188145369 /nfs/dbraw/zinc/14/53/69/188145369.db2.gz LICHQFNMUOYTPQ-GFCCVEGCSA-N 2 0 215.300 1.914 10 0 BDAERP CN(c1ncc(C[NH3+])s1)[C@@H]1CCC[N@H+](C)C1 ZINC000054896327 188127156 /nfs/dbraw/zinc/12/71/56/188127156.db2.gz XQBYWFJPXOBQGX-SECBINFHSA-N 2 0 240.376 1.132 10 0 BDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C ZINC000129593747 353742591 /nfs/dbraw/zinc/74/25/91/353742591.db2.gz GKRKYGYATPRCTO-WCQYABFASA-N 2 0 204.317 1.869 10 0 BDAERP C[C@@]1([NH3+])CC[N@H+](C[C@H]2CCSC2)C1 ZINC000405780172 355273195 /nfs/dbraw/zinc/27/31/95/355273195.db2.gz HBKXUUJANMCRAC-NXEZZACHSA-N 2 0 200.351 1.163 10 0 BDAERP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000335617285 355323399 /nfs/dbraw/zinc/32/33/99/355323399.db2.gz YGUIARPTPJWQSN-VXGBXAGGSA-N 2 0 224.348 1.286 10 0 BDAERP C[NH2+]C1(C)CC[NH+]([C@H]2CCSC2)CC1 ZINC000168422004 355806649 /nfs/dbraw/zinc/80/66/49/355806649.db2.gz URJUANMIGHDPCM-JTQLQIEISA-N 2 0 214.378 1.566 10 0 BDAERP COCC[NH2+]C[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675051075 538473505 /nfs/dbraw/zinc/47/35/05/538473505.db2.gz KGACHSMWHHYVLL-KBPBESRZSA-N 2 0 240.391 1.638 10 0 BDAERP C[C@@H]([NH2+]CC1(C)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000582235690 356651958 /nfs/dbraw/zinc/65/19/58/356651958.db2.gz UZQZRQNLAIRHQQ-OLZOCXBDSA-N 2 0 240.391 1.781 10 0 BDAERP C[NH+](C)CC(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675072960 538503905 /nfs/dbraw/zinc/50/39/05/538503905.db2.gz FGEAQVVLPAHNMF-UHFFFAOYSA-N 2 0 241.379 1.106 10 0 BDAERP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000393831483 357302536 /nfs/dbraw/zinc/30/25/36/357302536.db2.gz KPIACKICSDNBJV-NOOOWODRSA-N 2 0 232.331 1.207 10 0 BDAERP C[NH2+]C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000231427847 360335667 /nfs/dbraw/zinc/33/56/67/360335667.db2.gz PNNVPASSYCAKKU-SNVBAGLBSA-N 2 0 200.351 1.176 10 0 BDAERP C[C@@H](COCc1ccccc1)[NH2+]CCCC[NH3+] ZINC000306567529 360446914 /nfs/dbraw/zinc/44/69/14/360446914.db2.gz SMSBKBJLFNTACN-ZDUSSCGKSA-N 2 0 236.359 1.920 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cccc(Cl)c1F ZINC000306588927 360494208 /nfs/dbraw/zinc/49/42/08/360494208.db2.gz TZCBURJJSXOIGD-MRVPVSSYSA-N 2 0 202.660 1.828 10 0 BDAERP C[C@@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CCC[NH2+]C1 ZINC000578994705 366689800 /nfs/dbraw/zinc/68/98/00/366689800.db2.gz KOWCNZBUUQQIOQ-YNEHKIRRSA-N 2 0 228.380 1.373 10 0 BDAERP [NH3+]C1(C[NH2+]C[C@H]2CCCCO2)CCCCC1 ZINC000042825504 181332090 /nfs/dbraw/zinc/33/20/90/181332090.db2.gz HAMMNRJEDFBBLP-GFCCVEGCSA-N 2 0 226.364 1.807 10 0 BDAERP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)[C@H]1CCC[NH2+]C1 ZINC000629544573 361422817 /nfs/dbraw/zinc/42/28/17/361422817.db2.gz JKKCUELZCYANEG-MNOVXSKESA-N 2 0 235.331 1.265 10 0 BDAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(C)C ZINC000629572580 361463861 /nfs/dbraw/zinc/46/38/61/361463861.db2.gz XQWATHSAOGEKMW-NSHDSACASA-N 2 0 202.342 1.199 10 0 BDAERP [NH3+]C1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000042825218 181341714 /nfs/dbraw/zinc/34/17/14/181341714.db2.gz OPGXXFUDPOSKIH-BPCQOVAHSA-N 2 0 226.364 1.663 10 0 BDAERP CO[C@H]1CN(Cc2ncccc2C)[C@@](C)(C[NH3+])C1 ZINC000630367416 364084279 /nfs/dbraw/zinc/08/42/79/364084279.db2.gz OJNKWHAYSJEYFB-TZMCWYRMSA-N 2 0 249.358 1.328 10 0 BDAERP CO[C@H]1CN(Cc2ccccc2C)[C@](C)(C[NH3+])C1 ZINC000630359595 364079842 /nfs/dbraw/zinc/07/98/42/364079842.db2.gz GMVZVCJFJIAZOR-CABCVRRESA-N 2 0 248.370 1.933 10 0 BDAERP C[C@@H](C[NH+](C)C)NC1=[NH+]C(C)(C)CS1 ZINC000130679142 364027974 /nfs/dbraw/zinc/02/79/74/364027974.db2.gz KZPVXDGUBCYOAO-QMMMGPOBSA-N 2 0 215.366 1.408 10 0 BDAERP CO[C@@H]1C[N@H+](CC2CC=CC2)[C@](C)(C[NH3+])C1 ZINC000630365434 364083121 /nfs/dbraw/zinc/08/31/21/364083121.db2.gz HXPLHXSZMPNYMF-STQMWFEESA-N 2 0 224.348 1.391 10 0 BDAERP CC1CC[NH+]([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264551 541337507 /nfs/dbraw/zinc/33/75/07/541337507.db2.gz VIBHMFLHLRZEHD-STQMWFEESA-N 2 0 238.375 1.615 10 0 BDAERP [NH3+]CC(C[NH3+])c1c(F)cccc1Cl ZINC000071508524 181358205 /nfs/dbraw/zinc/35/82/05/181358205.db2.gz AELJDSBNEBCFQL-UHFFFAOYSA-N 2 0 202.660 1.480 10 0 BDAERP Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000630572241 364268080 /nfs/dbraw/zinc/26/80/80/364268080.db2.gz QFYGPQJYORMMHP-ONGXEEELSA-N 2 0 205.305 1.421 10 0 BDAERP Cc1c[nH+]ccc1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000630533373 364225808 /nfs/dbraw/zinc/22/58/08/364225808.db2.gz OYCOMQQQFWNDPR-MNOVXSKESA-N 2 0 205.305 1.364 10 0 BDAERP C[C@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000575894865 365407777 /nfs/dbraw/zinc/40/77/77/365407777.db2.gz JTXUPTGKAKPDSH-NWANDNLSSA-N 2 0 248.370 1.698 10 0 BDAERP CC[C@H]1[C@H](C)CCN1Cc1noc(CN)n1 ZINC000384019322 367667862 /nfs/dbraw/zinc/66/78/62/367667862.db2.gz RGTFAFJYDWGFFC-BDAKNGLRSA-N 2 0 224.308 1.149 10 0 BDAERP C[NH+]1CCC(C[NH3+])(Cc2ccccc2)CC1 ZINC000075144867 368336537 /nfs/dbraw/zinc/33/65/37/368336537.db2.gz TYWFIDZQLHQHHY-UHFFFAOYSA-N 2 0 218.344 1.900 10 0 BDAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000616220984 369063945 /nfs/dbraw/zinc/06/39/45/369063945.db2.gz FUDDCZSYXZHRSG-KBPBESRZSA-N 2 0 246.354 1.737 10 0 BDAERP CC(C)(C)[C@@H]1COCCCN1CC[NH3+] ZINC000616596917 369099918 /nfs/dbraw/zinc/09/99/18/369099918.db2.gz KOTGCGVCZAAUCN-JTQLQIEISA-N 2 0 200.326 1.082 10 0 BDAERP CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841832 369358375 /nfs/dbraw/zinc/35/83/75/369358375.db2.gz QPKXXJWCSCLMEJ-OLZOCXBDSA-N 2 0 228.380 1.576 10 0 BDAERP CC[N@@H+]1CCC[C@@]2(CC1)[NH2+]C[C@@H](C)S2 ZINC000226585369 371702043 /nfs/dbraw/zinc/70/20/43/371702043.db2.gz WETUJWYMVIMWSM-GHMZBOCLSA-N 2 0 214.378 1.913 10 0 BDAERP CC[C@@H]1CS[C@]2(C[NH2+]C[C@H](C)C2)N1 ZINC000401709556 371801868 /nfs/dbraw/zinc/80/18/68/371801868.db2.gz UUZPWTRIOYYPHQ-OPRDCNLKSA-N 2 0 200.351 1.427 10 0 BDAERP C1[NH2+]C[C@H]2C[NH+]([C@@H]3CCCSC3)C[C@H]12 ZINC000227473898 371871435 /nfs/dbraw/zinc/87/14/35/371871435.db2.gz CGTJRIOOLGQWJH-GARJFASQSA-N 2 0 212.362 1.033 10 0 BDAERP [NH3+]Cc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000038974264 372837399 /nfs/dbraw/zinc/83/73/99/372837399.db2.gz NXFZRASDKDOYHP-UHFFFAOYSA-N 2 0 204.195 1.623 10 0 BDAERP C(C[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246731019 374291282 /nfs/dbraw/zinc/29/12/82/374291282.db2.gz JIVMBVGQSXBTRW-AWEZNQCLSA-N 2 0 237.391 1.252 10 0 BDAERP OC1(C[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000019685499 183017839 /nfs/dbraw/zinc/01/78/39/183017839.db2.gz DSXUBGFTBRUVGB-UHFFFAOYSA-N 2 0 246.354 1.159 10 0 BDAERP OCC1([NH2+]C2CCCCC2)CC[NH2+]CC1 ZINC000040695490 183036564 /nfs/dbraw/zinc/03/65/64/183036564.db2.gz MWARIHONLXIOEQ-UHFFFAOYSA-N 2 0 212.337 1.023 10 0 BDAERP CCCC[C@H](N)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063125117 169008996 /nfs/dbraw/zinc/00/89/96/169008996.db2.gz XEQQNZKTQHMHKK-AWEZNQCLSA-N 2 0 241.423 1.778 10 0 BDAERP CCC[N@H+]([C@@H](C)CC(=O)OC)C1CC[NH2+]CC1 ZINC000037539198 169091203 /nfs/dbraw/zinc/09/12/03/169091203.db2.gz GZTSQXJHIFGEQU-NSHDSACASA-N 2 0 242.363 1.402 10 0 BDAERP CCC[N@H+](CC(=O)NC)Cc1cccc(C[NH3+])c1 ZINC000042404191 169095363 /nfs/dbraw/zinc/09/53/63/169095363.db2.gz OFQSALWALNFKCW-UHFFFAOYSA-N 2 0 249.358 1.103 10 0 BDAERP CCCN(CC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000104330920 169159504 /nfs/dbraw/zinc/15/95/04/169159504.db2.gz WWUFQZRUFSLGKK-AWEZNQCLSA-N 2 0 239.407 1.546 10 0 BDAERP CCC[NH+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764207 169203153 /nfs/dbraw/zinc/20/31/53/169203153.db2.gz MTQJDXMHBSYGQJ-AWEZNQCLSA-N 2 0 239.407 1.546 10 0 BDAERP c1cc(CC[NH+]2CCC[NH2+]CCC2)ccn1 ZINC000049666823 183336784 /nfs/dbraw/zinc/33/67/84/183336784.db2.gz NZJCLXYMHFQXLE-UHFFFAOYSA-N 2 0 219.332 1.310 10 0 BDAERP c1cc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000049565123 183338488 /nfs/dbraw/zinc/33/84/88/183338488.db2.gz YTOBVQDSVVTULV-LSDHHAIUSA-N 2 0 245.370 1.841 10 0 BDAERP CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073654032 169207523 /nfs/dbraw/zinc/20/75/23/169207523.db2.gz MPZDMQJLKSABTF-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP CCC[NH2+]CCNCCC[NH+]1CCCCC1 ZINC000049478653 169259522 /nfs/dbraw/zinc/25/95/22/169259522.db2.gz LDPXBJBVHDHAIB-UHFFFAOYSA-N 2 0 227.396 1.452 10 0 BDAERP CCC[NH2+]CC[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000052371437 169261094 /nfs/dbraw/zinc/26/10/94/169261094.db2.gz SFBIGXQSZALOQA-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH2+]C[C@H](C)N(C)CC1CC[NH+](C)CC1 ZINC000063123986 169263273 /nfs/dbraw/zinc/26/32/73/169263273.db2.gz CHDJLZWHRSTBTA-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@H](C)N(CC[NH+](C)C)CC(C)C ZINC000052503264 169263817 /nfs/dbraw/zinc/26/38/17/169263817.db2.gz PQFMVIYSQZGKLQ-AWEZNQCLSA-N 2 0 243.439 1.894 10 0 BDAERP CCC[NH2+]C[C@H](C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061654714 169264101 /nfs/dbraw/zinc/26/41/01/169264101.db2.gz LSYCGMQOKYYQHA-UONOGXRCSA-N 2 0 241.423 1.648 10 0 BDAERP c1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000037904440 183392858 /nfs/dbraw/zinc/39/28/58/183392858.db2.gz BUPLGMYYIJXMSH-ZDUSSCGKSA-N 2 0 245.370 1.698 10 0 BDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965329 169282345 /nfs/dbraw/zinc/28/23/45/169282345.db2.gz QQILBCFSXQFRNP-MJBXVCDLSA-N 2 0 239.407 1.543 10 0 BDAERP CC[C@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000226745183 134371086 /nfs/dbraw/zinc/37/10/86/134371086.db2.gz AEKKJFUNZDMRPU-STQMWFEESA-N 2 0 228.380 1.733 10 0 BDAERP C[C@@H]1CS[C@]2(CC[N@H+](C)[C@H](C)C2)N1 ZINC000156983120 384102357 /nfs/dbraw/zinc/10/23/57/384102357.db2.gz ZFGVOHFYUDSZBE-BBBLOLIVSA-N 2 0 200.351 1.522 10 0 BDAERP c1ccc(C[NH2+]CC2CC[NH2+]CC2)nc1 ZINC000040719370 384163832 /nfs/dbraw/zinc/16/38/32/384163832.db2.gz XTCYMFVGTJIZHK-UHFFFAOYSA-N 2 0 205.305 1.171 10 0 BDAERP C[C@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000572593273 384176275 /nfs/dbraw/zinc/17/62/75/384176275.db2.gz ANJMYUYUYFRWCP-STQMWFEESA-N 2 0 240.391 1.659 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168733272 384302916 /nfs/dbraw/zinc/30/29/16/384302916.db2.gz WJHHHPWJZFDHQP-NEPJUHHUSA-N 2 0 212.337 1.287 10 0 BDAERP Cc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)cc[nH+]1 ZINC000335655385 384451264 /nfs/dbraw/zinc/45/12/64/384451264.db2.gz BPOFJNYOEXTDMY-JOYOIKCWSA-N 2 0 205.305 1.222 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000560970660 384428560 /nfs/dbraw/zinc/42/85/60/384428560.db2.gz KNPNAOKOCIKWMU-TUAOUCFPSA-N 2 0 212.337 1.143 10 0 BDAERP [NH3+]C[C@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000061590683 384521036 /nfs/dbraw/zinc/52/10/36/384521036.db2.gz FIYXWAYSURVQEF-ZJUUUORDSA-N 2 0 200.351 1.163 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310296936 384748980 /nfs/dbraw/zinc/74/89/80/384748980.db2.gz MHPDAJAMKLSBIX-FRRDWIJNSA-N 2 0 240.391 1.610 10 0 BDAERP CCSCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000300980290 384761518 /nfs/dbraw/zinc/76/15/18/384761518.db2.gz UDKMOGLCQVRIJL-LLVKDONJSA-N 2 0 216.394 1.861 10 0 BDAERP C[C@H]([NH2+][C@H]1CSC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000306574754 384783685 /nfs/dbraw/zinc/78/36/85/384783685.db2.gz IOLXXFCIYCGRPR-AEJSXWLSSA-N 2 0 214.378 1.468 10 0 BDAERP Fc1ccc(F)c(CCN[C@@H]2CC[NH2+]C2)c1 ZINC000259193067 384962812 /nfs/dbraw/zinc/96/28/12/384962812.db2.gz WPIWRZGSUREEFJ-LLVKDONJSA-N 2 0 226.270 1.459 10 0 BDAERP C[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647032438 385167935 /nfs/dbraw/zinc/16/79/35/385167935.db2.gz JTDCYSFDHJITSV-LLVKDONJSA-N 2 0 249.358 1.086 10 0 BDAERP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CCS[C@H]1C ZINC000307128794 385928895 /nfs/dbraw/zinc/92/88/95/385928895.db2.gz DMLJYOZOMSHUOH-RGOKHQFPSA-N 2 0 200.351 1.302 10 0 BDAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000336770766 386028830 /nfs/dbraw/zinc/02/88/30/386028830.db2.gz WYSGYFZTOPMMJR-FHUSYTEZSA-N 2 0 208.349 1.857 10 0 BDAERP C[C@@H]1COC[C@H](C)[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647886635 386300237 /nfs/dbraw/zinc/30/02/37/386300237.db2.gz DMHIIUHMMRLCOF-BETUJISGSA-N 2 0 240.391 1.875 10 0 BDAERP Cc1c[nH]nc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000335448778 386518120 /nfs/dbraw/zinc/51/81/20/386518120.db2.gz SFCYMYPXCKFZJT-LLVKDONJSA-N 2 0 222.336 1.292 10 0 BDAERP C[C@@]1(C2CC[NH2+]CC2)[NH2+]CCCS1 ZINC000306893501 386520606 /nfs/dbraw/zinc/52/06/06/386520606.db2.gz JPDKALJYCQVSKR-SNVBAGLBSA-N 2 0 200.351 1.429 10 0 BDAERP COCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400741775 533177346 /nfs/dbraw/zinc/17/73/46/533177346.db2.gz SXZIJMRMLORDBT-NWDGAFQWSA-N 2 0 228.380 1.637 10 0 BDAERP C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1cccnc1 ZINC000396576363 386780330 /nfs/dbraw/zinc/78/03/30/386780330.db2.gz NEXPLDFFYDEODQ-GVXVVHGQSA-N 2 0 219.332 1.873 10 0 BDAERP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1F ZINC000398372948 386818977 /nfs/dbraw/zinc/81/89/77/386818977.db2.gz PQGCGIHSPNWTIS-LBPRGKRZSA-N 2 0 222.307 1.833 10 0 BDAERP COc1cccc(F)c1[C@@H]([NH3+])CCC[NH3+] ZINC000575438630 387131525 /nfs/dbraw/zinc/13/15/25/387131525.db2.gz MJVCQNHLDGNLNJ-VIFPVBQESA-N 2 0 212.268 1.573 10 0 BDAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(O)c(F)c1 ZINC000575439207 387121294 /nfs/dbraw/zinc/12/12/94/387121294.db2.gz PWMSVZSMSBIFNG-JTQLQIEISA-N 2 0 212.268 1.660 10 0 BDAERP COc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1F ZINC000575440160 387127836 /nfs/dbraw/zinc/12/78/36/387127836.db2.gz LIGPRIYCRPAHPU-NSHDSACASA-N 2 0 226.295 1.963 10 0 BDAERP COc1cc(O)ccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575440114 387127862 /nfs/dbraw/zinc/12/78/62/387127862.db2.gz VJLIRINJUWIPBZ-LLVKDONJSA-N 2 0 224.304 1.530 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1cccc2c1OCCO2 ZINC000575438376 387129048 /nfs/dbraw/zinc/12/90/48/387129048.db2.gz JSEVSRYWLYPVJG-SNVBAGLBSA-N 2 0 222.288 1.197 10 0 BDAERP CSC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400432172 387155015 /nfs/dbraw/zinc/15/50/15/387155015.db2.gz CCUYECKPFQLKSM-UWVGGRQHSA-N 2 0 214.378 1.470 10 0 BDAERP CC(C)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000536955025 387167589 /nfs/dbraw/zinc/16/75/89/387167589.db2.gz OLUWZHNGYGQWGX-UPJWGTAASA-N 2 0 210.365 1.962 10 0 BDAERP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)CS1 ZINC000575535230 387574658 /nfs/dbraw/zinc/57/46/58/387574658.db2.gz RUKYQHDISYENCR-PRWFHZCQSA-N 2 0 200.351 1.350 10 0 BDAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423099695 387886905 /nfs/dbraw/zinc/88/69/05/387886905.db2.gz MIBKDEJGBPMXLT-XVIXHAIJSA-N 2 0 240.391 1.778 10 0 BDAERP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643480773 387942548 /nfs/dbraw/zinc/94/25/48/387942548.db2.gz FFLQMZPUPRSJNR-NWDGAFQWSA-N 2 0 214.353 1.389 10 0 BDAERP CC1CC[NH+](CCCN[C@@H]2CC[NH2+]C2)CC1 ZINC000086725486 388107800 /nfs/dbraw/zinc/10/78/00/388107800.db2.gz ATMAYZLSQNHBKV-CYBMUJFWSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000520792904 256690370 /nfs/dbraw/zinc/69/03/70/256690370.db2.gz WCNDTPWLQGLLQD-TUAOUCFPSA-N 2 0 212.337 1.143 10 0 BDAERP C[C@@H]1C[N@H+](CC2CSC2)CC[C@@H]1[NH3+] ZINC000575488495 388880967 /nfs/dbraw/zinc/88/09/67/388880967.db2.gz SMDQROCNKRCAIN-SCZZXKLOSA-N 2 0 200.351 1.019 10 0 BDAERP C[C@@H]([NH2+]CCCOCC1CC1)[C@H]1CC[NH2+]C1 ZINC000400380254 533386378 /nfs/dbraw/zinc/38/63/78/533386378.db2.gz KAILHMDGQVYTJU-YPMHNXCESA-N 2 0 226.364 1.391 10 0 BDAERP NC(=[NH2+])CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000019423264 132324983 /nfs/dbraw/zinc/32/49/83/132324983.db2.gz VBZQIMGIUKNLNW-UHFFFAOYSA-N 2 0 246.358 1.525 10 0 BDAERP C[C@H](CC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019779179 132327232 /nfs/dbraw/zinc/32/72/32/132327232.db2.gz BMDOKHPWNMPYPE-CYBMUJFWSA-N 2 0 233.359 1.546 10 0 BDAERP Cc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000235370735 132395876 /nfs/dbraw/zinc/39/58/76/132395876.db2.gz YWUPBUSNKZFVEC-ZWNOBZJWSA-N 2 0 219.332 1.954 10 0 BDAERP C([C@H]1CCC[N@@H+](C2CCC2)C1)N1CCOCC1 ZINC000179569389 134322208 /nfs/dbraw/zinc/32/22/08/134322208.db2.gz FWYHJKLZJWJSKG-CYBMUJFWSA-N 2 0 238.375 1.583 10 0 BDAERP C[N@H+](C[C@H](O)C(C)(C)C)C[C@H]1CC[NH+](C)C1 ZINC000250708675 135058065 /nfs/dbraw/zinc/05/80/65/135058065.db2.gz QRFLDTMKYYXGQU-RYUDHWBXSA-N 2 0 228.380 1.277 10 0 BDAERP C[C@H]1C[N@H+](CCC[NH+]2CCCC2)CC[C@H]1O ZINC000251674940 135073088 /nfs/dbraw/zinc/07/30/88/135073088.db2.gz MKSBXXWBJIAJLR-QWHCGFSZSA-N 2 0 226.364 1.175 10 0 BDAERP CCC1(C[NH+]2CCC([NH3+])CC2)CCOCC1 ZINC000261573842 135215962 /nfs/dbraw/zinc/21/59/62/135215962.db2.gz JAAQTXKLNPUKFU-UHFFFAOYSA-N 2 0 226.364 1.616 10 0 BDAERP Cc1cnc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261674290 135244943 /nfs/dbraw/zinc/24/49/43/135244943.db2.gz JKDXNKLYVBUHOB-GFCCVEGCSA-N 2 0 234.347 1.344 10 0 BDAERP CC1(C)C[N@H+](Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000261701027 135246904 /nfs/dbraw/zinc/24/69/04/135246904.db2.gz ICFRHLUCBQYGHK-CYBMUJFWSA-N 2 0 233.359 1.828 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)[C@@H](C)c1ccccc1 ZINC000263261329 135343660 /nfs/dbraw/zinc/34/36/60/135343660.db2.gz QXWUINBXPYMCDK-DHMWGJHJSA-N 2 0 248.370 1.349 10 0 BDAERP C[N@H+](CCN[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000307243112 397991835 /nfs/dbraw/zinc/99/18/35/397991835.db2.gz SPZQVFKSTKSYNM-AWEZNQCLSA-N 2 0 233.359 1.070 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1CC1CC([NH3+])C1 ZINC000575467470 397992830 /nfs/dbraw/zinc/99/28/30/397992830.db2.gz QVIZDYWEJOLJDQ-XNWIYYODSA-N 2 0 200.351 1.161 10 0 BDAERP C1C[C@@H]([NH2+][C@@H]2CCCSCC2)C[NH2+]1 ZINC000575518825 397974874 /nfs/dbraw/zinc/97/48/74/397974874.db2.gz VZDMCGLUXFCMFT-NXEZZACHSA-N 2 0 200.351 1.224 10 0 BDAERP CC(C)[NH2+]CCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049221269 167099226 /nfs/dbraw/zinc/09/92/26/167099226.db2.gz VRGVQJQVTKVFEF-GFCCVEGCSA-N 2 0 243.395 1.077 10 0 BDAERP CC(C)[NH2+]CCCC(=O)N[C@H](C)CC[NH+](C)C ZINC000049559697 167103083 /nfs/dbraw/zinc/10/30/83/167103083.db2.gz SCZKTEDNXSWMAQ-GFCCVEGCSA-N 2 0 243.395 1.221 10 0 BDAERP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)[NH3+] ZINC000258718670 322876705 /nfs/dbraw/zinc/87/67/05/322876705.db2.gz ISFNBYRWFXAZIF-LLVKDONJSA-N 2 0 222.332 1.831 10 0 BDAERP COC[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000665235629 410727085 /nfs/dbraw/zinc/72/70/85/410727085.db2.gz XKQNYQULJLTQNP-XQQFMLRXSA-N 2 0 244.379 1.016 10 0 BDAERP CC[NH+](CC)CCC[C@@H](C)N1C[C@@H]([NH3+])CC1=O ZINC000035679740 169775702 /nfs/dbraw/zinc/77/57/02/169775702.db2.gz IMKHFRBMXRMZIH-NEPJUHHUSA-N 2 0 241.379 1.057 10 0 BDAERP CC(C)C[NH2+]CC(C)(C)C[N@H+](CCO)C1CC1 ZINC000051284984 167003072 /nfs/dbraw/zinc/00/30/72/167003072.db2.gz NJLOEDBVKWKWDH-UHFFFAOYSA-N 2 0 242.407 1.715 10 0 BDAERP CC(C)[NH2+]CCN1CC[NH+](C2CCCC2)CC1 ZINC000052061419 167104577 /nfs/dbraw/zinc/10/45/77/167104577.db2.gz FMEXMCDRXDSYGJ-UHFFFAOYSA-N 2 0 239.407 1.545 10 0 BDAERP CC(C)[NH2+]CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000309335026 167105063 /nfs/dbraw/zinc/10/50/63/167105063.db2.gz IUXKJYNXMAIXHK-CYBMUJFWSA-N 2 0 227.396 1.401 10 0 BDAERP CC(C)[NH2+]C[C@@H](C)OC1CC[NH+](C)CC1 ZINC000052596497 167110408 /nfs/dbraw/zinc/11/04/08/167110408.db2.gz MHRWMIWXIQDLJH-LLVKDONJSA-N 2 0 214.353 1.484 10 0 BDAERP CC(C)[C@@H](C[NH2+]C[C@H]1CCCCN1C)N(C)C ZINC000054240293 167399547 /nfs/dbraw/zinc/39/95/47/167399547.db2.gz KCZFIPFRVMPFHJ-ZIAGYGMSSA-N 2 0 241.423 1.647 10 0 BDAERP COCC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000656199908 411204753 /nfs/dbraw/zinc/20/47/53/411204753.db2.gz GJGLZJHTIXKAOR-QWRGUYRKSA-N 2 0 212.337 1.001 10 0 BDAERP C[C@@H]1C[NH+](CCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000050952283 411269848 /nfs/dbraw/zinc/26/98/48/411269848.db2.gz JFWYGUYIMQQCRF-CHWSQXEVSA-N 2 0 240.391 1.875 10 0 BDAERP Cc1[nH+]ccc(N2CC3CC2(C[NH3+])C3)c1Cl ZINC000656610473 411308847 /nfs/dbraw/zinc/30/88/47/411308847.db2.gz BWXJNRMFCYEHBC-UHFFFAOYSA-N 2 0 237.734 1.971 10 0 BDAERP CC(C)(O)C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000656678260 411322669 /nfs/dbraw/zinc/32/26/69/411322669.db2.gz YKIHNUDPENLIBC-SNVBAGLBSA-N 2 0 214.353 1.220 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@H]21 ZINC000656699950 411324337 /nfs/dbraw/zinc/32/43/37/411324337.db2.gz OGDVKZHMCRATDR-FRRDWIJNSA-N 2 0 226.364 1.172 10 0 BDAERP C[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656781977 411358872 /nfs/dbraw/zinc/35/88/72/411358872.db2.gz BKQKIJRHCFRMMZ-STQMWFEESA-N 2 0 233.359 1.774 10 0 BDAERP Cc1cnccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000129739196 411387107 /nfs/dbraw/zinc/38/71/07/411387107.db2.gz ITYZLKHOOLOZND-YPMHNXCESA-N 2 0 219.332 1.607 10 0 BDAERP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000104349727 169940462 /nfs/dbraw/zinc/94/04/62/169940462.db2.gz ABXIPKLIZAALNR-ZIAGYGMSSA-N 2 0 237.391 1.155 10 0 BDAERP CC[NH+]1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000054459637 169952002 /nfs/dbraw/zinc/95/20/02/169952002.db2.gz RFMJNFGHLBNDRV-UHFFFAOYSA-N 2 0 234.347 1.298 10 0 BDAERP CC[NH+]1CCC(N(C)c2cc(C[NH3+])ccn2)CC1 ZINC000042613848 169953208 /nfs/dbraw/zinc/95/32/08/169953208.db2.gz ZUOITHJQWADFLC-UHFFFAOYSA-N 2 0 248.374 1.461 10 0 BDAERP CC[NH+]1CCN(C[C@H]2CCC[C@H]2[NH2+]C)CC1 ZINC000053860851 169993370 /nfs/dbraw/zinc/99/33/70/169993370.db2.gz MADNISZBOGPVPV-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037643725 170015170 /nfs/dbraw/zinc/01/51/70/170015170.db2.gz PWGSLKFALVHGSU-CYBMUJFWSA-N 2 0 234.343 1.824 10 0 BDAERP CC[NH2+]C(C)(C)CN1CC[NH+](CC2CC2)CC1 ZINC000061299795 170107379 /nfs/dbraw/zinc/10/73/79/170107379.db2.gz YACCSTSDVNPJAB-UHFFFAOYSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000037267482 170108536 /nfs/dbraw/zinc/10/85/36/170108536.db2.gz GINGOCXGXULKMH-UHFFFAOYSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+]CCNCCC[N@@H+]1CCCC[C@@H]1C ZINC000049475196 170115715 /nfs/dbraw/zinc/11/57/15/170115715.db2.gz CYQCBGKOVVYMLI-ZDUSSCGKSA-N 2 0 227.396 1.450 10 0 BDAERP CC[NH2+]CC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515488 170117562 /nfs/dbraw/zinc/11/75/62/170117562.db2.gz OSKUBLPEGOMVJD-ZDUSSCGKSA-N 3 0 241.423 1.648 10 0 BDAERP CC[NH2+]C[C@@H](C)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942494 170119495 /nfs/dbraw/zinc/11/94/95/170119495.db2.gz NXWVAOFPWLDCIH-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+]C[C@H]1CCCCN1CC[NH+](C)C ZINC000053650778 170122877 /nfs/dbraw/zinc/12/28/77/170122877.db2.gz WVXWPAYTYFNVFJ-GFCCVEGCSA-N 2 0 213.369 1.012 10 0 BDAERP CC[NH2+]Cc1csc(CC[NH+](C)C)n1 ZINC000062214825 170129961 /nfs/dbraw/zinc/12/99/61/170129961.db2.gz RQJFKJVVCOJVDP-UHFFFAOYSA-N 2 0 213.350 1.357 10 0 BDAERP CC[NH2+][C@@H](C)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079194 170140923 /nfs/dbraw/zinc/14/09/23/170140923.db2.gz HQBDNAVHWCVYEK-KBPBESRZSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@@H]1CN1CCC[N@H+](C)CC1 ZINC000053863875 170150865 /nfs/dbraw/zinc/15/08/65/170150865.db2.gz LZTIQRWRVUESEI-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+][C@@H]1CC[N@@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711431 170151715 /nfs/dbraw/zinc/15/17/15/170151715.db2.gz KYHZMSQTLNOAJF-VXGBXAGGSA-N 2 0 226.364 1.628 10 0 BDAERP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C[C@@H]1C ZINC000042821751 170151991 /nfs/dbraw/zinc/15/19/91/170151991.db2.gz YYEBFZQDUCFRNM-MELADBBJSA-N 2 0 240.391 1.875 10 0 BDAERP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)[C@@H]2CCCO2)C[C@@H]1C ZINC000049711072 170167565 /nfs/dbraw/zinc/16/75/65/170167565.db2.gz YTOKGHMPHAFXEO-XUXIUFHCSA-N 2 0 240.391 1.874 10 0 BDAERP CCOC(CN(C)C[C@@H]1CC[N@H+](C)C1)OCC ZINC000104357640 170314610 /nfs/dbraw/zinc/31/46/10/170314610.db2.gz TWZRXJXUQWHHMO-GFCCVEGCSA-N 2 0 244.379 1.269 10 0 BDAERP CCOCC[N@@H+]1CCC[C@@H]1CCC[NH3+] ZINC000082596786 170398594 /nfs/dbraw/zinc/39/85/94/170398594.db2.gz NQISHSXRQHBVDA-NSHDSACASA-N 2 0 200.326 1.226 10 0 BDAERP CC[C@@H]1CC[N@@H+](C2CCOCC2)C[C@H](C)C[NH2+]1 ZINC000049666371 171009269 /nfs/dbraw/zinc/00/92/69/171009269.db2.gz HCRXABRWISIORL-CHWSQXEVSA-N 2 0 240.391 1.875 10 0 BDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCN(C)CC2)C1 ZINC000037157138 171056136 /nfs/dbraw/zinc/05/61/36/171056136.db2.gz LXDFJEAQCBTDNI-MGPQQGTHSA-N 2 0 239.407 1.387 10 0 BDAERP CC[C@@H]1CN(C[C@@H](C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC000070073109 171085227 /nfs/dbraw/zinc/08/52/27/171085227.db2.gz JBWMITTUQJRYKX-UONOGXRCSA-N 2 0 241.423 1.647 10 0 BDAERP CC[C@@H]1C[NH2+][C@@H](C)CN1C1CC[NH+](C)CC1 ZINC000083085363 171101237 /nfs/dbraw/zinc/10/12/37/171101237.db2.gz HUVHACPWBIVYNN-NWDGAFQWSA-N 2 0 225.380 1.153 10 0 BDAERP FC1(F)C[C@H]1OCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000665244895 412189880 /nfs/dbraw/zinc/18/98/80/412189880.db2.gz ZAIKLHWKZQWXDD-VHSXEESVSA-N 2 0 234.290 1.142 10 0 BDAERP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH2+]CC2)O1 ZINC000665264924 412207786 /nfs/dbraw/zinc/20/77/86/412207786.db2.gz LYFNZZHXDUIVQN-JQWIXIFHSA-N 2 0 212.337 1.286 10 0 BDAERP CC[C@]1(C[NH2+]CC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000062862895 171723678 /nfs/dbraw/zinc/72/36/78/171723678.db2.gz ZMWWEUIPXGMLMS-KGLIPLIRSA-N 2 0 240.391 1.925 10 0 BDAERP C[NH2+]C[C@@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000663280122 412408300 /nfs/dbraw/zinc/40/83/00/412408300.db2.gz YATSCPXNEAHDGB-SSDOTTSWSA-N 2 0 213.712 1.485 10 0 BDAERP C[NH+](C)CC1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000042388481 172425319 /nfs/dbraw/zinc/42/53/19/172425319.db2.gz FEDXJXNWQRLRSL-ZDUSSCGKSA-N 2 0 225.380 1.012 10 0 BDAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])Cc1ccccc1 ZINC000104195717 172430131 /nfs/dbraw/zinc/43/01/31/172430131.db2.gz HMWWNOZPMAMBPO-OAHLLOKOSA-N 2 0 249.402 1.440 10 0 BDAERP C[N@@H+]1CCCN(c2ccc(F)cc2C[NH3+])CC1 ZINC000037236452 173018103 /nfs/dbraw/zinc/01/81/03/173018103.db2.gz UMNDSYHROMJYFJ-UHFFFAOYSA-N 2 0 237.322 1.426 10 0 BDAERP CN([C@H]1CCC[N@H+](C)C1)[C@@H]1CCCC[NH2+]C1 ZINC000054135151 173044909 /nfs/dbraw/zinc/04/49/09/173044909.db2.gz IGRFCTBGUKBCNN-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP CN1CC[N@H+](CCC[C@@H]2CCC[NH2+]2)CC1(C)C ZINC000104124523 173080615 /nfs/dbraw/zinc/08/06/15/173080615.db2.gz YTGDQOSCQBUTOC-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP CN1CC[NH+](C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053861665 173084638 /nfs/dbraw/zinc/08/46/38/173084638.db2.gz ULIGJCBISDVBBF-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP C[N@@H+]1CC[C@H](n2c(N)[nH+]c3ccc(F)cc32)C1 ZINC000052123001 173157467 /nfs/dbraw/zinc/15/74/67/173157467.db2.gz OHUBACVWBJFDHZ-VIFPVBQESA-N 2 0 234.278 1.634 10 0 BDAERP C[NH2+]C(C)(C)CN1CC[NH+](C2CCCC2)CC1 ZINC000061319835 173319344 /nfs/dbraw/zinc/31/93/44/173319344.db2.gz AYBFIXAFHMFQMG-UHFFFAOYSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000053664069 173338945 /nfs/dbraw/zinc/33/89/45/173338945.db2.gz CUGFKSMLJYKCPL-UHFFFAOYSA-N 2 0 205.305 1.517 10 0 BDAERP C[NH2+]CCN(C)CC[N@@H+]1CCc2ccccc2C1 ZINC000077419147 173353153 /nfs/dbraw/zinc/35/31/53/173353153.db2.gz JZGMURFUXUQAIF-UHFFFAOYSA-N 2 0 247.386 1.196 10 0 BDAERP C[NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000020072292 173354235 /nfs/dbraw/zinc/35/42/35/173354235.db2.gz IRXLJGNPWLBUKG-CQSZACIVSA-N 2 0 233.359 1.195 10 0 BDAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCC2)O1 ZINC000052421286 173382660 /nfs/dbraw/zinc/38/26/60/173382660.db2.gz WAGDNCGTJVKNGD-VXGBXAGGSA-N 2 0 212.337 1.239 10 0 BDAERP COC1CC[NH+](C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070503124 174028832 /nfs/dbraw/zinc/02/88/32/174028832.db2.gz MSDVMEPNEVFEDR-VXGBXAGGSA-N 2 0 226.364 1.615 10 0 BDAERP COCCC[N@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000062029684 174218233 /nfs/dbraw/zinc/21/82/33/174218233.db2.gz HMUZXBRHLGOGEA-UHFFFAOYSA-N 2 0 240.322 1.753 10 0 BDAERP COCCC[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601923 174235179 /nfs/dbraw/zinc/23/51/79/174235179.db2.gz PMZYAKSOCXPMHI-YOGCLGLASA-N 2 0 212.337 1.367 10 0 BDAERP COCC[N@H+](CCCCCC[NH3+])[C@@H](C)COC ZINC000042610878 174290212 /nfs/dbraw/zinc/29/02/12/174290212.db2.gz WQFSVQVVSNTPKX-ZDUSSCGKSA-N 2 0 246.395 1.489 10 0 BDAERP COCC[NH+](CCC[C@H]1CCC[NH2+]1)CCOC ZINC000052764411 174290833 /nfs/dbraw/zinc/29/08/33/174290833.db2.gz OVIBPUXUKGUVHB-CYBMUJFWSA-N 2 0 244.379 1.113 10 0 BDAERP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)C1CC1 ZINC000062911986 174297495 /nfs/dbraw/zinc/29/74/95/174297495.db2.gz HNTDKAHWEOYNMD-TZMCWYRMSA-N 2 0 240.391 1.733 10 0 BDAERP COCC[N@H+]([C@@H](C)COC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042602058 174302501 /nfs/dbraw/zinc/30/25/01/174302501.db2.gz SWULTYLWHGYBCP-YNEHKIRRSA-N 2 0 244.379 1.097 10 0 BDAERP COCC[NH2+]CCC[N@H+](CCOC)CC(C)C ZINC000053499510 174332012 /nfs/dbraw/zinc/33/20/12/174332012.db2.gz DARNQCOCERMTJU-UHFFFAOYSA-N 2 0 246.395 1.217 10 0 BDAERP COc1ccc(C[NH+](C)C)cc1CC[NH3+] ZINC000016942249 175094670 /nfs/dbraw/zinc/09/46/70/175094670.db2.gz PTTJUWCTCHMBLY-UHFFFAOYSA-N 2 0 208.305 1.258 10 0 BDAERP COc1cccc(CC[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000011891369 175251870 /nfs/dbraw/zinc/25/18/70/175251870.db2.gz OKJRFPZOILQEAF-CYBMUJFWSA-N 2 0 234.343 1.518 10 0 BDAERP COc1cccc([C@@H](C[NH3+])CC[NH+](C)C)c1 ZINC000041241364 175287657 /nfs/dbraw/zinc/28/76/57/175287657.db2.gz VQAFKAFLNKRMFI-GFCCVEGCSA-N 2 0 222.332 1.689 10 0 BDAERP C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)CC[NH3+] ZINC000077334514 176020623 /nfs/dbraw/zinc/02/06/23/176020623.db2.gz WJVBVIAHNYRSIC-WCQYABFASA-N 2 0 222.332 1.389 10 0 BDAERP C[C@@H](c1cnn(C)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512399 176037628 /nfs/dbraw/zinc/03/76/28/176037628.db2.gz AHBUXIYSXKNBTE-JTQLQIEISA-N 2 0 222.336 1.152 10 0 BDAERP C[C@@H](c1nccs1)[NH+]1CCC(C[NH3+])CC1 ZINC000083143899 176039637 /nfs/dbraw/zinc/03/96/37/176039637.db2.gz SGKSCFOXLVPDEO-VIFPVBQESA-N 2 0 225.361 1.875 10 0 BDAERP C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)C[NH2+]C1CC1 ZINC000042607062 176086373 /nfs/dbraw/zinc/08/63/73/176086373.db2.gz WXKYIJOAWFAZSD-MRVWCRGKSA-N 2 0 240.391 1.610 10 0 BDAERP C[C@@H]1CCC[N@H+](C[C@]2(C[NH3+])CCCOC2)[C@@H]1C ZINC000104305910 176100297 /nfs/dbraw/zinc/10/02/97/176100297.db2.gz YZRFULPRBLCBQF-MGPQQGTHSA-N 2 0 240.391 1.862 10 0 BDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCN1CCC[NH2+]CC1 ZINC000061274954 176115279 /nfs/dbraw/zinc/11/52/79/176115279.db2.gz RYJVIGKGNIJNGW-ZIAGYGMSSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@@H]1CCN(C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000044390316 176166364 /nfs/dbraw/zinc/16/63/64/176166364.db2.gz JPPBMQGJUGYWCQ-GFCCVEGCSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@@H]1CC[N@H+](C[C@]2(C[NH3+])CCCOC2)[C@H](C)C1 ZINC000104317436 176174462 /nfs/dbraw/zinc/17/44/62/176174462.db2.gz XMWHTCCPCUSROA-MGPQQGTHSA-N 2 0 240.391 1.862 10 0 BDAERP C[C@@H]1C[NH+](CCCCCC[NH3+])C[C@@H](C)O1 ZINC000020071747 176288268 /nfs/dbraw/zinc/28/82/68/176288268.db2.gz IVZFQBOMOAPJIM-VXGBXAGGSA-N 2 0 214.353 1.615 10 0 BDAERP C[C@@H]1C[NH+]=C(NC2CC[NH+](C)CC2)S1 ZINC000035295408 176324468 /nfs/dbraw/zinc/32/44/68/176324468.db2.gz SJIASNSIDJVVTQ-MRVPVSSYSA-N 2 0 213.350 1.162 10 0 BDAERP C[C@@H]1CC[N@@H+](CC2CCOCC2)CC[C@H](C)[NH2+]1 ZINC000104188315 177158719 /nfs/dbraw/zinc/15/87/19/177158719.db2.gz ZJDFWVWKCVIXBB-BETUJISGSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@H]1CC[N@H+](C[C@@H]2CCCO2)CCC[NH2+]1 ZINC000049662852 177161619 /nfs/dbraw/zinc/16/16/19/177161619.db2.gz KXRQTRXEQGXHMG-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1CCN(C[C@@H]2CC[N@H+](C)C2)CC[C@H](C)[NH2+]1 ZINC000049666486 177161974 /nfs/dbraw/zinc/16/19/74/177161974.db2.gz YVNDRGGKJHXZKU-HZSPNIEDSA-N 2 0 239.407 1.401 10 0 BDAERP C[C@H]1C[NH2+]CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982864 177282007 /nfs/dbraw/zinc/28/20/07/177282007.db2.gz PSCCUBYPFVEFBF-STQMWFEESA-N 2 0 226.364 1.344 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](Cc2ccccn2)C1 ZINC000049666529 177285886 /nfs/dbraw/zinc/28/58/86/177285886.db2.gz LZJNWOQCBFJLMA-STQMWFEESA-N 2 0 233.359 1.759 10 0 BDAERP Cc1cc(C)c(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000400337684 226341159 /nfs/dbraw/zinc/34/11/59/226341159.db2.gz DSOWLDOXEOMNKH-OLZOCXBDSA-N 2 0 233.359 1.786 10 0 BDAERP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361769 226341696 /nfs/dbraw/zinc/34/16/96/226341696.db2.gz QHEDAYRDLOOGHW-MGPQQGTHSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000400552080 226346202 /nfs/dbraw/zinc/34/62/02/226346202.db2.gz YAPDZRHORVIBKC-IACUBPJLSA-N 2 0 246.354 1.578 10 0 BDAERP CSC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400432176 229143813 /nfs/dbraw/zinc/14/38/13/229143813.db2.gz CCUYECKPFQLKSM-ZJUUUORDSA-N 2 0 214.378 1.470 10 0 BDAERP CCCN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000328465993 487694046 /nfs/dbraw/zinc/69/40/46/487694046.db2.gz JHJYFJCCICLYTK-WXRRBKDZSA-N 3 0 225.380 1.330 10 0 BDAERP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400810473 533687187 /nfs/dbraw/zinc/68/71/87/533687187.db2.gz YALXXJKOLFGHAR-AAEUAGOBSA-N 2 0 234.343 1.783 10 0 BDAERP CC[NH+](CC)CCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136301902 487723513 /nfs/dbraw/zinc/72/35/13/487723513.db2.gz HDEJQUPANMYGJQ-LBPRGKRZSA-N 2 0 243.395 1.208 10 0 BDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000300424603 487783589 /nfs/dbraw/zinc/78/35/89/487783589.db2.gz WSHWEQFWTSBIMI-NEPJUHHUSA-N 2 0 243.395 1.206 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000235305333 487793730 /nfs/dbraw/zinc/79/37/30/487793730.db2.gz ABURUHUWXUSLQX-PMUOWJKOSA-N 2 0 214.378 1.740 10 0 BDAERP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000562956989 323035081 /nfs/dbraw/zinc/03/50/81/323035081.db2.gz DQTPEZOMEBKYMZ-RAIGVLPGSA-N 2 0 226.364 1.389 10 0 BDAERP COCCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958356 323035245 /nfs/dbraw/zinc/03/52/45/323035245.db2.gz AYMKCRWYYAUHQF-QWHCGFSZSA-N 2 0 228.380 1.781 10 0 BDAERP CC1(C)C[NH2+]Cc2cnn(-c3cc[nH+]cc3)c2C1 ZINC000536948696 323950633 /nfs/dbraw/zinc/95/06/33/323950633.db2.gz CTKFHZUJRKIZNB-UHFFFAOYSA-N 2 0 242.326 1.939 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCS1)[C@H]1CCC[NH2+]C1 ZINC000573234935 326437003 /nfs/dbraw/zinc/43/70/03/326437003.db2.gz WWVJRWSUGYAQFC-SRVKXCTJSA-N 2 0 228.405 1.860 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400940588 488009879 /nfs/dbraw/zinc/00/98/79/488009879.db2.gz 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ZINC000757153512 582538104 /nfs/dbraw/zinc/53/81/04/582538104.db2.gz WSEFTRXZSJEMIV-UHFFFAOYSA-N 2 0 224.348 1.779 10 0 BDAERP C[C@H]([NH2+]CCOC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400432965 533860563 /nfs/dbraw/zinc/86/05/63/533860563.db2.gz LSPAABRXRKLFRU-JGVFFNPUSA-N 2 0 226.242 1.110 10 0 BDAERP CS[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400466439 534060511 /nfs/dbraw/zinc/06/05/11/534060511.db2.gz WDQDFRSBTLUILK-UTLUCORTSA-N 2 0 202.367 1.326 10 0 BDAERP CCC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000400328402 527753986 /nfs/dbraw/zinc/75/39/86/527753986.db2.gz FEPBCQSUEOCMEV-CHWSQXEVSA-N 2 0 240.391 1.781 10 0 BDAERP CC(C)OCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400360020 527949879 /nfs/dbraw/zinc/94/98/79/527949879.db2.gz NJDLSCKXHRWOPG-NEPJUHHUSA-N 2 0 214.353 1.389 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400353311 528502536 /nfs/dbraw/zinc/50/25/36/528502536.db2.gz LCFDAWWGMOUGBL-MGPQQGTHSA-N 2 0 241.423 1.550 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400335877 529092665 /nfs/dbraw/zinc/09/26/65/529092665.db2.gz ABUVVNMSMIYJJS-AVGNSLFASA-N 2 0 225.380 1.201 10 0 BDAERP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000402698965 529369700 /nfs/dbraw/zinc/36/97/00/529369700.db2.gz RHRPICVSZIGAFQ-DTWKUNHWSA-N 2 0 224.270 1.917 10 0 BDAERP CCC(CC)[C@@H](CN[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000086725773 535110193 /nfs/dbraw/zinc/11/01/93/535110193.db2.gz HQHAFAHFULLHCM-CHWSQXEVSA-N 2 0 227.396 1.304 10 0 BDAERP [NH3+][C@@H]1C[C@@]2(CCC[NH2+]C2)Oc2ccccc21 ZINC000212667452 566362366 /nfs/dbraw/zinc/36/23/66/566362366.db2.gz BGSMZNCEEBTSQO-DGCLKSJQSA-N 2 0 218.300 1.591 10 0 BDAERP C[C@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000757135114 582514116 /nfs/dbraw/zinc/51/41/16/582514116.db2.gz YVOWYHYXNWAPAQ-YPMHNXCESA-N 2 0 208.349 1.860 10 0 BDAERP C[C@H]1CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757139108 582519310 /nfs/dbraw/zinc/51/93/10/582519310.db2.gz FKSVUQBZYKTCBQ-JTQLQIEISA-N 2 0 210.321 1.339 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@H](C)C[C@H](C)O2 ZINC000757145012 582526614 /nfs/dbraw/zinc/52/66/14/582526614.db2.gz HOTMWNWISZHZAK-MNOVXSKESA-N 2 0 212.337 1.585 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@@H]1N1CCC[C@@H]([NH+](C)C)C1 ZINC000396683583 583088606 /nfs/dbraw/zinc/08/86/06/583088606.db2.gz WYQIUYIDKVRRHC-XQQFMLRXSA-N 2 0 225.380 1.153 10 0 BDAERP C[C@H]1CN2C(=[NH+]1)N=CC=C2[C@@H]1CCC[NH2+]C1 ZINC000235697563 583210458 /nfs/dbraw/zinc/21/04/58/583210458.db2.gz WMHSDAPIAFKQMB-VHSXEESVSA-N 2 0 218.304 1.014 10 0 BDAERP CC1(C)CC2(CCO[C@@H]2C[NH3+])CC(C)(C)[NH2+]1 ZINC000757206396 586437524 /nfs/dbraw/zinc/43/75/24/586437524.db2.gz AMVHVUXIPOBIEL-SNVBAGLBSA-N 2 0 226.364 1.661 10 0 BDAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1cccc(C=O)c1 ZINC000757210128 586438539 /nfs/dbraw/zinc/43/85/39/586438539.db2.gz DYBVBQYVOQAANK-STQMWFEESA-N 2 0 218.300 1.499 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CN[C@@H]1c1cccc(C[NH3+])c1 ZINC000757211919 586438904 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[NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCCCO)C[C@H]12 ZINC000309363565 632022557 /nfs/dbraw/zinc/02/25/57/632022557.db2.gz PCIKXUCJLVZGJF-RWMBFGLXSA-N 2 0 226.364 1.208 10 0 BDAERP Cc1nccnc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000235182810 632459774 /nfs/dbraw/zinc/45/97/74/632459774.db2.gz JWNDSMQFLLZMBV-VOMCLLRMSA-N 2 0 234.347 1.706 10 0 BDAERP CSCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000228877523 640901480 /nfs/dbraw/zinc/90/14/80/640901480.db2.gz ZSXSKTYKVNKCEB-WDEREUQCSA-N 2 0 216.394 1.860 10 0 BDAERP C[N@H+](CCCCCC[NH3+])C[C@H]1CCCO1 ZINC000042466508 641551923 /nfs/dbraw/zinc/55/19/23/641551923.db2.gz FJVNHZBHCULGAD-GFCCVEGCSA-N 2 0 214.353 1.616 10 0 BDAERP Cc1ccc(N)cc1[C@H]1[NH2+]CCC[C@@H]1C[NH3+] ZINC000757236367 643372382 /nfs/dbraw/zinc/37/23/82/643372382.db2.gz OJKAUUDKDVIIHE-MFKMUULPSA-N 2 0 219.332 1.577 10 0 BDAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052378891 644536675 /nfs/dbraw/zinc/53/66/75/644536675.db2.gz IHSGAKZCVGNGIN-TUAOUCFPSA-N 2 0 212.337 1.367 10 0 BDAERP COCC1CC([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000714004595 712476841 /nfs/dbraw/zinc/47/68/41/712476841.db2.gz DAQNDAJZPDFTDA-POSLAHMBSA-N 2 0 212.337 1.128 10 0 BDAERP Cc1[nH+]ccc(N[C@@H]2C[NH2+]CC2(C)C)c1Cl ZINC000721934774 710691751 /nfs/dbraw/zinc/69/17/51/710691751.db2.gz QMFNVRPLVNCCFX-SNVBAGLBSA-N 2 0 239.750 1.875 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722316863 711735205 /nfs/dbraw/zinc/73/52/05/711735205.db2.gz UXSXKJJUCIBWFP-RDBSUJKOSA-N 2 0 238.375 1.676 10 0 BDAERP C=C/C=C/CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000713735412 712470452 /nfs/dbraw/zinc/47/04/52/712470452.db2.gz NYZJAHMDNJTXCX-KTVCLWMCSA-N 2 0 206.333 1.788 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]C1 ZINC000717628227 712661986 /nfs/dbraw/zinc/66/19/86/712661986.db2.gz VOQYHJXSPGKDSN-RWMBFGLXSA-N 2 0 240.391 1.779 10 0 BDAERP COCC(C)(C)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000718764099 712781283 /nfs/dbraw/zinc/78/12/83/712781283.db2.gz SRADAMSFIXXAEF-NEPJUHHUSA-N 2 0 228.380 1.637 10 0 BDAERP Cc1cc(N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc[nH+]1 ZINC000720890641 712875291 /nfs/dbraw/zinc/87/52/91/712875291.db2.gz HBUNLDPRGPPXMW-NXEZZACHSA-N 2 0 245.248 1.716 10 0 BDAERP CC[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCSC2 ZINC000685953387 538897916 /nfs/dbraw/zinc/89/79/16/538897916.db2.gz GYASZIBAZWSENH-NXEZZACHSA-N 2 0 200.351 1.305 10 0 BDAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955132 538900456 /nfs/dbraw/zinc/90/04/56/538900456.db2.gz UFHMYLPCBFVKRD-YVECIDJPSA-N 2 0 226.364 1.754 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCSC2 ZINC000685955225 538900629 /nfs/dbraw/zinc/90/06/29/538900629.db2.gz WJEVZOCOEZQWOT-MNOVXSKESA-N 2 0 214.378 1.695 10 0 BDAERP [NH3+][C@@H]1CCC[C@]2(c3ccccc3)C[NH2+]C[C@H]12 ZINC000685958448 538906169 /nfs/dbraw/zinc/90/61/69/538906169.db2.gz NTNVBKLXXXJSTC-MGPQQGTHSA-N 2 0 216.328 1.655 10 0 BDAERP Cc1ccc(C)c([C@@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965676 538912290 /nfs/dbraw/zinc/91/22/90/538912290.db2.gz OINPOFKNJKKFPT-QWHCGFSZSA-N 2 0 204.317 1.708 10 0 BDAERP CCc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685965630 538912493 /nfs/dbraw/zinc/91/24/93/538912493.db2.gz LZRLBOCEMINQDE-OLZOCXBDSA-N 2 0 204.317 1.653 10 0 BDAERP CCC(CC)(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217743 168323067 /nfs/dbraw/zinc/32/30/67/168323067.db2.gz BIKMEHXLYGMZJN-UHFFFAOYSA-N 2 0 213.369 1.141 10 0 BDAERP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCOC1 ZINC000335034381 136214784 /nfs/dbraw/zinc/21/47/84/136214784.db2.gz QUPVPBHVJDPPHK-NEPJUHHUSA-N 2 0 212.337 1.145 10 0 BDAERP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccn1 ZINC000336233719 178033406 /nfs/dbraw/zinc/03/34/06/178033406.db2.gz BYQNSNPLOYUEOY-CYBMUJFWSA-N 2 0 219.332 1.622 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000576458614 365601692 /nfs/dbraw/zinc/60/16/92/365601692.db2.gz SXFIXMMQSDXOHE-UMSGYPCISA-N 2 0 226.364 1.268 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000378763264 346828489 /nfs/dbraw/zinc/82/84/89/346828489.db2.gz BWICRPDCUDVSFF-IJLUTSLNSA-N 2 0 212.337 1.238 10 0 BDAERP C[C@H]1C[C@H]([NH3+])CN1c1ccncc1Cl ZINC000306644461 361835090 /nfs/dbraw/zinc/83/50/90/361835090.db2.gz ZQDJQFCEQDUUKK-YUMQZZPRSA-N 2 0 211.696 1.661 10 0 BDAERP CCC(CC)[NH2+]CCN1CCC[C@H]1C[NH+](C)C ZINC000061655174 168388253 /nfs/dbraw/zinc/38/82/53/168388253.db2.gz VRVWISPJWXMRMU-AWEZNQCLSA-N 2 0 241.423 1.791 10 0 BDAERP CCN1C[C@H](C)[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948202 538982143 /nfs/dbraw/zinc/98/21/43/538982143.db2.gz RVHQSAAZNXSOJS-WNYYMSAVSA-N 2 0 212.337 1.094 10 0 BDAERP CCN1C[C@H]([NH2+][C@@H](C)CCCOC)[C@@H](C)C1 ZINC000390505590 539022936 /nfs/dbraw/zinc/02/29/36/539022936.db2.gz WTYFIZSWNQHWMK-AVGNSLFASA-N 2 0 228.380 1.731 10 0 BDAERP CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]cc2C)C1 ZINC000390657445 539026945 /nfs/dbraw/zinc/02/69/45/539026945.db2.gz RFXFFKWGPXUOFG-DGCLKSJQSA-N 2 0 219.332 1.564 10 0 BDAERP Cc1ccc(C[NH2+]CCC[NH2+]CCO)s1 ZINC000013732674 342870880 /nfs/dbraw/zinc/87/08/80/342870880.db2.gz TVYDBQSEDRTWRP-UHFFFAOYSA-N 2 0 228.361 1.118 10 0 BDAERP c1ccc(C2=[NH+]CCN2C2CC[NH2+]CC2)cc1 ZINC000142035503 343103611 /nfs/dbraw/zinc/10/36/11/343103611.db2.gz VNPBPJCBFYLXTH-UHFFFAOYSA-N 2 0 229.327 1.501 10 0 BDAERP CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000313015179 343732595 /nfs/dbraw/zinc/73/25/95/343732595.db2.gz FHUXZWYBJABPIE-QWRGUYRKSA-N 2 0 212.337 1.143 10 0 BDAERP [NH3+]C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000044528010 343781367 /nfs/dbraw/zinc/78/13/67/343781367.db2.gz OXMDQHSBSBQRPV-GFCCVEGCSA-N 2 0 230.355 1.825 10 0 BDAERP C[N@H+](C1CC[NH2+]CC1)C1CCSCC1 ZINC000307369786 343790083 /nfs/dbraw/zinc/79/00/83/343790083.db2.gz OJZFJMGSTIEIHL-UHFFFAOYSA-N 2 0 214.378 1.566 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000409433109 343826646 /nfs/dbraw/zinc/82/66/46/343826646.db2.gz XJCCDWVBOGRTHB-DTWKUNHWSA-N 2 0 204.264 1.312 10 0 BDAERP C[C@H](CC[NH3+])[N@@H+]1CCSC(C)(C)C1 ZINC000135210426 343967318 /nfs/dbraw/zinc/96/73/18/343967318.db2.gz KYRKYRNSFBRGIA-SECBINFHSA-N 2 0 202.367 1.551 10 0 BDAERP CCC1(C[N@@H+]2CC[C@H](N(C)C)C2)CC[NH2+]CC1 ZINC000104177336 168467718 /nfs/dbraw/zinc/46/77/18/168467718.db2.gz MHOXKWSLRZRHKU-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP COC(=O)CCCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000600706009 344360254 /nfs/dbraw/zinc/36/02/54/344360254.db2.gz BZRMVAZPVNNALD-LBPRGKRZSA-N 2 0 242.363 1.404 10 0 BDAERP F[C@H](C1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000158149923 344555005 /nfs/dbraw/zinc/55/50/05/344555005.db2.gz LHFRFDOWCJDBJS-GHMZBOCLSA-N 2 0 200.301 1.466 10 0 BDAERP CC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000248253509 345092599 /nfs/dbraw/zinc/09/25/99/345092599.db2.gz NDTHGBXTJCOSAV-HUUCEWRRSA-N 2 0 248.370 1.479 10 0 BDAERP Cc1c(CN2CCCCC[C@@H]([NH3+])C2)cnn1C ZINC000634997779 345195462 /nfs/dbraw/zinc/19/54/62/345195462.db2.gz SJHIAOYPHNUAIL-CYBMUJFWSA-N 2 0 236.363 1.432 10 0 BDAERP CCc1nn(C)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999688 345200635 /nfs/dbraw/zinc/20/06/35/345200635.db2.gz XWZIJMMOSXQAEO-WDEREUQCSA-N 2 0 236.363 1.009 10 0 BDAERP CCC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000635006074 345210451 /nfs/dbraw/zinc/21/04/51/345210451.db2.gz XHXXUCILHQWPIQ-QJPTWQEYSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccc[nH]1 ZINC000257351907 345773949 /nfs/dbraw/zinc/77/39/49/345773949.db2.gz HVCYJXIVDRWBNC-GMTAPVOTSA-N 2 0 207.321 1.935 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2cccs2)CC1 ZINC000257353642 345774527 /nfs/dbraw/zinc/77/45/27/345774527.db2.gz SGLJTTMBSZYKFG-MGCOHNPYSA-N 2 0 238.356 1.790 10 0 BDAERP [NH3+]C[C@H]1CNC[C@H](C[NH+]2CCCCCC2)C1 ZINC000669378991 537972801 /nfs/dbraw/zinc/97/28/01/537972801.db2.gz RQQFAFSFTIVENT-QWHCGFSZSA-N 2 0 225.380 1.047 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1Cc1cncc(C[NH3+])c1 ZINC000669378987 537974607 /nfs/dbraw/zinc/97/46/07/537974607.db2.gz RNLWHPKACLZYHY-LLVKDONJSA-N 2 0 219.332 1.915 10 0 BDAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)c1 ZINC000019771587 179184254 /nfs/dbraw/zinc/18/42/54/179184254.db2.gz YSFCYVVYMZLUST-CQSZACIVSA-N 2 0 233.359 1.242 10 0 BDAERP Cc1cccc([C@@H](C[NH3+])N(C)CC[NH+](C)C)c1 ZINC000041268355 179184506 /nfs/dbraw/zinc/18/45/06/179184506.db2.gz XPMGBGKROUQEFN-CQSZACIVSA-N 2 0 235.375 1.488 10 0 BDAERP CCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000309839847 347183106 /nfs/dbraw/zinc/18/31/06/347183106.db2.gz ODPSDEUWSJJRNF-SDDRHHMPSA-N 2 0 214.353 1.125 10 0 BDAERP CN(C)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250346306 362799356 /nfs/dbraw/zinc/79/93/56/362799356.db2.gz GNTBONZGZOSQPQ-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1C[C@H](c2cc(C[NH3+])ccc2N)CC[NH2+]1 ZINC000669380464 537989678 /nfs/dbraw/zinc/98/96/78/537989678.db2.gz NWVDOYZDTNVWBI-GXSJLCMTSA-N 2 0 219.332 1.583 10 0 BDAERP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000251339534 362863602 /nfs/dbraw/zinc/86/36/02/362863602.db2.gz PYMSZAOTZIIHEV-MNOVXSKESA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]1C[NH2+][C@]2(CC[N@H+](C)[C@H](C)C2)S1 ZINC000251692088 362899717 /nfs/dbraw/zinc/89/97/17/362899717.db2.gz AWIVFFDPRLPXNA-OPRDCNLKSA-N 2 0 200.351 1.522 10 0 BDAERP C[C@H]([NH3+])CC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222023537 349988276 /nfs/dbraw/zinc/98/82/76/349988276.db2.gz LEAFAGPQWYQDML-GUBZILKMSA-N 2 0 202.367 1.550 10 0 BDAERP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[NH2+]2)n1 ZINC000616578285 349124479 /nfs/dbraw/zinc/12/44/79/349124479.db2.gz KXNCSGVPIGHVLH-NSHDSACASA-N 2 0 220.320 1.271 10 0 BDAERP C[C@H](C[NH3+])[C@@H](C)[N@@H+]1CCSC[C@@H]1C ZINC000222159865 350128692 /nfs/dbraw/zinc/12/86/92/350128692.db2.gz ULTHJTTVIOSKEX-KXUCPTDWSA-N 2 0 202.367 1.407 10 0 BDAERP Cc1[nH+]c2c(n1C1CC[NH2+]CC1)CCCC2 ZINC000076095376 180072697 /nfs/dbraw/zinc/07/26/97/180072697.db2.gz AJMNFUKAFACNRY-UHFFFAOYSA-N 2 0 219.332 1.995 10 0 BDAERP Cc1nccn1CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074267 180250450 /nfs/dbraw/zinc/25/04/50/180250450.db2.gz AROQWMRQOPSLPX-CYBMUJFWSA-N 2 0 236.363 1.252 10 0 BDAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000252434172 538087849 /nfs/dbraw/zinc/08/78/49/538087849.db2.gz FGELWYDEOFDIOV-SGMGOOAPSA-N 2 0 240.391 1.874 10 0 BDAERP Cc1nccn1CC[NH2+]CC(C)(C)C[NH+](C)C ZINC000049329762 180260859 /nfs/dbraw/zinc/26/08/59/180260859.db2.gz FCZRRRWETGTMJJ-UHFFFAOYSA-N 2 0 238.379 1.369 10 0 BDAERP COC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918112 350290563 /nfs/dbraw/zinc/29/05/63/350290563.db2.gz HYFRLDBVZDXQQU-RYUDHWBXSA-N 2 0 240.347 1.014 10 0 BDAERP [NH3+]Cc1ccc(C2=CC[C@@]3(C[C@@H]3[NH3+])CC2)nc1F ZINC000725265258 538091694 /nfs/dbraw/zinc/09/16/94/538091694.db2.gz VAQISBMZIHBVAI-JSGCOSHPSA-N 2 0 247.317 1.964 10 0 BDAERP CC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000309464160 350538155 /nfs/dbraw/zinc/53/81/55/350538155.db2.gz SJQVIXIBOIEZEA-LBPRGKRZSA-N 2 0 228.380 1.469 10 0 BDAERP [NH3+]CCN1CCC[C@H](C(F)(F)F)CC1 ZINC000616602334 350790911 /nfs/dbraw/zinc/79/09/11/350790911.db2.gz ZOBJWKYRHDCGIJ-QMMMGPOBSA-N 2 0 210.243 1.610 10 0 BDAERP C[C@@H]([NH3+])[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000306701727 350850964 /nfs/dbraw/zinc/85/09/64/350850964.db2.gz HDJVVGLCQZERFX-ZJUUUORDSA-N 2 0 216.394 1.940 10 0 BDAERP [NH3+]CCN1CCCC[C@H]1c1ccc(CO)cc1 ZINC000616616723 350855930 /nfs/dbraw/zinc/85/59/30/350855930.db2.gz VQJNKHFBKROSIZ-AWEZNQCLSA-N 2 0 234.343 1.665 10 0 BDAERP C[C@@H]1C[C@]2(C[NH+]=C(N)O2)C[N@@H+]1Cc1ccccc1 ZINC000306826926 351136397 /nfs/dbraw/zinc/13/63/97/351136397.db2.gz AQSJBVPWSGXQTA-RISCZKNCSA-N 2 0 245.326 1.365 10 0 BDAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CSC2(C)C)C1 ZINC000307147500 351500445 /nfs/dbraw/zinc/50/04/45/351500445.db2.gz IBIVVSRILBBTMQ-NXEZZACHSA-N 2 0 214.378 1.422 10 0 BDAERP C/C(=C/Cl)CN1CCCC[C@H]1C[NH3+] ZINC000232004813 351507584 /nfs/dbraw/zinc/50/75/84/351507584.db2.gz WZXQPJWYQRGATC-MBACFSSFSA-N 2 0 202.729 1.942 10 0 BDAERP C[C@H]1CSC[C@@H]1[N@H+](C)C1CC([NH3+])C1 ZINC000307245320 351753255 /nfs/dbraw/zinc/75/32/55/351753255.db2.gz VQHOPXYJRQQHJT-NFTFJBJSSA-N 2 0 200.351 1.159 10 0 BDAERP C[C@@H]1CSC[C@@H]1[N@H+](C)C1CC([NH3+])C1 ZINC000307245326 351753293 /nfs/dbraw/zinc/75/32/93/351753293.db2.gz VQHOPXYJRQQHJT-WOOKNIGNSA-N 2 0 200.351 1.159 10 0 BDAERP FC1(F)CC[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000307286739 351850202 /nfs/dbraw/zinc/85/02/02/351850202.db2.gz RWTRBGHJNHBQJO-DTWKUNHWSA-N 2 0 204.264 1.373 10 0 BDAERP C[C@H]1SCC[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000307329731 352031456 /nfs/dbraw/zinc/03/14/56/352031456.db2.gz XIKNKVPOIXBECT-CHWFTXMASA-N 2 0 214.378 1.468 10 0 BDAERP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@@H]1CCCSC1 ZINC000307384549 352511528 /nfs/dbraw/zinc/51/15/28/352511528.db2.gz JBJRVOKKDAHCRY-MXWKQRLJSA-N 2 0 214.378 1.694 10 0 BDAERP C[C@@H]1CC[NH2+]CC[N@@H+]1[C@@H]1CCSC1 ZINC000405275662 353156050 /nfs/dbraw/zinc/15/60/50/353156050.db2.gz WXYKHRXOVSZBRX-NXEZZACHSA-N 2 0 200.351 1.176 10 0 BDAERP COc1ccc(C[C@](C)(C[NH3+])C[NH+](C)C)cc1 ZINC000011800575 188105082 /nfs/dbraw/zinc/10/50/82/188105082.db2.gz DXWMDHHJNDGWJW-CQSZACIVSA-N 2 0 236.359 1.764 10 0 BDAERP CC(C)[NH+]1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000036170852 188112156 /nfs/dbraw/zinc/11/21/56/188112156.db2.gz BYXLODONBOMCFN-UHFFFAOYSA-N 2 0 239.407 1.674 10 0 BDAERP C1C[NH2+][C@H]([C@@H]2CCC[N@@H+](C3CCOCC3)C2)C1 ZINC000037916572 188115290 /nfs/dbraw/zinc/11/52/90/188115290.db2.gz PBTCLTWLCMQYDC-OCCSQVGLSA-N 2 0 238.375 1.629 10 0 BDAERP c1ccc2c(c1)CN([C@@H]1CC[NH2+]C1)C=[NH+]2 ZINC000095082135 188144968 /nfs/dbraw/zinc/14/49/68/188144968.db2.gz PCRZVTQUCCNQDX-LLVKDONJSA-N 2 0 201.273 1.524 10 0 BDAERP CC(C)C[C@@](C)(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643058 188128152 /nfs/dbraw/zinc/12/81/52/188128152.db2.gz RDWLQWMDVKMART-KGLIPLIRSA-N 2 0 241.423 1.776 10 0 BDAERP C1CC[NH2+]CCCC[NH2+]CCC[NH2+]CC1 ZINC000090755249 188130458 /nfs/dbraw/zinc/13/04/58/188130458.db2.gz CGQAORJOAXIFCI-UHFFFAOYSA-N 3 0 213.369 1.109 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CSCCS1 ZINC000229587205 188159305 /nfs/dbraw/zinc/15/93/05/188159305.db2.gz NCYIWJMVJRIQCW-MNOVXSKESA-N 2 0 246.445 1.567 10 0 BDAERP C(C[NH+]1CCCCCC1)N1CCC[NH2+]CC1 ZINC000061274909 188184263 /nfs/dbraw/zinc/18/42/63/188184263.db2.gz YJMSCKQGPVCZFQ-UHFFFAOYSA-N 2 0 225.380 1.158 10 0 BDAERP C[C@H]([NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000022169198 363211230 /nfs/dbraw/zinc/21/12/30/363211230.db2.gz DESQUQJVIHLQJU-JTQLQIEISA-N 2 0 208.305 1.647 10 0 BDAERP C[C@@H](CNC1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000038042078 358482156 /nfs/dbraw/zinc/48/21/56/358482156.db2.gz NDWIMQLTPLCJSB-ZDUSSCGKSA-N 2 0 239.407 1.450 10 0 BDAERP C/C(=C/Cl)CN1CC[NH2+]CC[C@@H]1C ZINC000308115812 354016593 /nfs/dbraw/zinc/01/65/93/354016593.db2.gz YBBRRGXZSIIKJF-RNKPRXRFSA-N 2 0 202.729 1.813 10 0 BDAERP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCCS2)C1 ZINC000252495074 363447723 /nfs/dbraw/zinc/44/77/23/363447723.db2.gz ALIYTBPOPSNXEQ-VHSXEESVSA-N 2 0 200.351 1.163 10 0 BDAERP CCN1CC[C@H]([NH2+]C[C@@H](OC)C2CCCC2)C1 ZINC000639266650 355324712 /nfs/dbraw/zinc/32/47/12/355324712.db2.gz KVYFXPVOYOPTSL-UONOGXRCSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1CSC[C@H]1[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405789695 355276456 /nfs/dbraw/zinc/27/64/56/355276456.db2.gz KKBYYWGYPFMWGA-BBBLOLIVSA-N 2 0 200.351 1.161 10 0 BDAERP NC(=[NH2+])CCC[N@H+](CCO)Cc1ccccc1 ZINC000050514486 181187137 /nfs/dbraw/zinc/18/71/37/181187137.db2.gz DNCKNRKHWZLXTP-UHFFFAOYSA-N 2 0 235.331 1.197 10 0 BDAERP NC(=[NH2+])NC(=[NH2+])SC/C=C/c1ccccc1 ZINC000014966672 181189918 /nfs/dbraw/zinc/18/99/18/181189918.db2.gz MUGIKROBCUVWCS-QPJJXVBHSA-N 2 0 234.328 1.851 10 0 BDAERP C[C@H]1CC[C@@H](O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000421033299 192309245 /nfs/dbraw/zinc/30/92/45/192309245.db2.gz XNICENHWWFUMPG-UONOGXRCSA-N 2 0 240.391 1.708 10 0 BDAERP CC(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675078859 538516512 /nfs/dbraw/zinc/51/65/12/538516512.db2.gz AJHMDMGYRQQVBY-MNOVXSKESA-N 2 0 212.337 1.128 10 0 BDAERP CCC[N@H+](CC)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675079351 538517566 /nfs/dbraw/zinc/51/75/66/538517566.db2.gz FJWSNJGNGZACDP-NEPJUHHUSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CCCSC2)C[C@@]1(C)C[NH3+] ZINC000389581651 356993630 /nfs/dbraw/zinc/99/36/30/356993630.db2.gz HHQYCOJIVRGHRZ-IJLUTSLNSA-N 2 0 228.405 1.799 10 0 BDAERP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000393831488 357302408 /nfs/dbraw/zinc/30/24/08/357302408.db2.gz KPIACKICSDNBJV-WRWGMCAJSA-N 2 0 232.331 1.207 10 0 BDAERP CCC1([NH+](C)C)CC[NH+](CC2(O)CCC2)CC1 ZINC000640015715 358069077 /nfs/dbraw/zinc/06/90/77/358069077.db2.gz LVZMOSOGBNCJOX-UHFFFAOYSA-N 2 0 240.391 1.708 10 0 BDAERP C[NH+](C)CCOC1(c2ccccc2)CC[NH2+]CC1 ZINC000584601877 358259602 /nfs/dbraw/zinc/25/96/02/358259602.db2.gz QTKYAMUMVDWAGY-UHFFFAOYSA-N 2 0 248.370 1.844 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@H]1CCSC1 ZINC000252689742 366412612 /nfs/dbraw/zinc/41/26/12/366412612.db2.gz SAYLLDLONJIPQJ-UTLUCORTSA-N 2 0 200.351 1.304 10 0 BDAERP CCN1C[C@@H](C)[C@H]([NH2+]CC2(F)CC2)C1 ZINC000308570105 491137091 /nfs/dbraw/zinc/13/70/91/491137091.db2.gz BTAWDDOGPBGJHA-NXEZZACHSA-N 2 0 200.301 1.418 10 0 BDAERP CCC[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)O)C1 ZINC000578316277 366500175 /nfs/dbraw/zinc/50/01/75/366500175.db2.gz UYBGBUFJYHHTGK-NSHDSACASA-N 2 0 214.353 1.079 10 0 BDAERP CSC1(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)CC1 ZINC000306230584 359366344 /nfs/dbraw/zinc/36/63/44/359366344.db2.gz ZTLLDRNUNHUGMV-NXEZZACHSA-N 2 0 214.378 1.551 10 0 BDAERP C1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CS1 ZINC000231347025 359859844 /nfs/dbraw/zinc/85/98/44/359859844.db2.gz LZWRIFCEMDEFLV-UWVGGRQHSA-N 2 0 200.351 1.224 10 0 BDAERP C[C@@H](CC[NH3+])[N@@H+]1CCCOC(C)(C)C1 ZINC000306471752 360098235 /nfs/dbraw/zinc/09/82/35/360098235.db2.gz SEPPGQWOBYJCGB-JTQLQIEISA-N 2 0 200.326 1.225 10 0 BDAERP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000306489451 360179155 /nfs/dbraw/zinc/17/91/55/360179155.db2.gz LMJANJNMQRYJTC-WCBMZHEXSA-N 2 0 200.351 1.222 10 0 BDAERP [NH3+]C1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000040407754 181341765 /nfs/dbraw/zinc/34/17/65/181341765.db2.gz XXMFJYDYNNPMQC-UHFFFAOYSA-N 2 0 208.305 1.887 10 0 BDAERP C[C@H]([C@@H](C)C[NH3+])[N@@H+]1CCCO[C@H](C)C1 ZINC000252588210 363909873 /nfs/dbraw/zinc/90/98/73/363909873.db2.gz AUEMVAHQZVYDMA-HBNTYKKESA-N 2 0 200.326 1.081 10 0 BDAERP CO[C@H]1CN(CCc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630368089 364084610 /nfs/dbraw/zinc/08/46/10/364084610.db2.gz QGNMQXIMOVUNMS-KGLIPLIRSA-N 2 0 249.358 1.062 10 0 BDAERP CO[C@H]1CN(CCCCCF)[C@](C)(C[NH3+])C1 ZINC000630368205 364084959 /nfs/dbraw/zinc/08/49/59/364084959.db2.gz QZBYSDCTECCHKT-NEPJUHHUSA-N 2 0 232.343 1.564 10 0 BDAERP CO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@](C)(C[NH3+])C1 ZINC000630366756 364086443 /nfs/dbraw/zinc/08/64/43/364086443.db2.gz LOZOKFSGMGGVHN-NDKCEZKHSA-N 2 0 238.375 1.471 10 0 BDAERP CC[NH2+]CC[C@H](C[NH3+])c1ccc(COC)cc1 ZINC000725263600 541336527 /nfs/dbraw/zinc/33/65/27/541336527.db2.gz UJFAIHJXKCRDQT-CQSZACIVSA-N 2 0 236.359 1.875 10 0 BDAERP [NH3+]CC1(N2CCOCC2)CCCCCCC1 ZINC000019483581 181360799 /nfs/dbraw/zinc/36/07/99/181360799.db2.gz LMHFZAUWIYJWBJ-UHFFFAOYSA-N 2 0 226.364 1.760 10 0 BDAERP [NH3+]CCN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037712739 364543881 /nfs/dbraw/zinc/54/38/81/364543881.db2.gz XZFZZKSQVNTABY-AWEZNQCLSA-N 2 0 233.359 1.199 10 0 BDAERP [NH3+]CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1 ZINC000072236212 181375891 /nfs/dbraw/zinc/37/58/91/181375891.db2.gz AULALABEFKKEBT-XJFOESAGSA-N 2 0 220.360 1.869 10 0 BDAERP Cc1cc(N[C@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000383481892 367625444 /nfs/dbraw/zinc/62/54/44/367625444.db2.gz OGFNKZQBEMUDNW-SECBINFHSA-N 2 0 215.247 1.206 10 0 BDAERP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000581661074 367661106 /nfs/dbraw/zinc/66/11/06/367661106.db2.gz JAWFUAKRVNVRTO-KXNHARMFSA-N 2 0 228.405 1.716 10 0 BDAERP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000581661075 367661625 /nfs/dbraw/zinc/66/16/25/367661625.db2.gz JAWFUAKRVNVRTO-RHYQMDGZSA-N 2 0 228.405 1.716 10 0 BDAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCSC2)C1 ZINC000252786058 368065871 /nfs/dbraw/zinc/06/58/71/368065871.db2.gz PMEOMYDYBCTODR-AEJSXWLSSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@H]([NH3+])CC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000253068887 368444402 /nfs/dbraw/zinc/44/44/02/368444402.db2.gz LEAFAGPQWYQDML-IVZWLZJFSA-N 2 0 202.367 1.550 10 0 BDAERP CSCC[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C ZINC000131553116 371621896 /nfs/dbraw/zinc/62/18/96/371621896.db2.gz VPTVSECZTVZNEK-ZJUUUORDSA-N 2 0 202.367 1.422 10 0 BDAERP C[NH2+][C@@H]1CCC2(C[C@H]1N(C)C(C)C)OCCO2 ZINC000216448394 371755818 /nfs/dbraw/zinc/75/58/18/371755818.db2.gz VKXCWSQVFJYYCR-VXGBXAGGSA-N 2 0 242.363 1.210 10 0 BDAERP C[NH2+][C@@H]1CCN([C@@H]2CS[C@@H](C)C2)C1 ZINC000227666156 371918271 /nfs/dbraw/zinc/91/82/71/371918271.db2.gz ZWHJYKRSSUPPRO-AEJSXWLSSA-N 2 0 200.351 1.174 10 0 BDAERP Cc1nc(C)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631837897 372630353 /nfs/dbraw/zinc/63/03/53/372630353.db2.gz GWNTVCGQXKZWRH-KWQFWETISA-N 2 0 239.388 1.787 10 0 BDAERP C[C@H]1C[N@H+](CCCCCF)C[C@@H]1C[NH3+] ZINC000631838484 372630741 /nfs/dbraw/zinc/63/07/41/372630741.db2.gz PFPMQWALAUBUAM-QWRGUYRKSA-N 2 0 202.317 1.653 10 0 BDAERP CCc1noc(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839223 372633092 /nfs/dbraw/zinc/63/30/92/372633092.db2.gz CAWBGECRAPFXLO-GXSJLCMTSA-N 2 0 237.347 1.572 10 0 BDAERP C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000631839069 372634427 /nfs/dbraw/zinc/63/44/27/372634427.db2.gz ZKLOXPIAMNSWPL-PWSUYJOCSA-N 2 0 222.307 1.852 10 0 BDAERP C[C@@H](c1ccncc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840024 372635684 /nfs/dbraw/zinc/63/56/84/372635684.db2.gz OJXSJWZVYJMDGC-MDZLAQPJSA-N 2 0 219.332 1.669 10 0 BDAERP CCCCOCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842239 372640003 /nfs/dbraw/zinc/64/00/03/372640003.db2.gz XKSLLMTXYADUND-NWDGAFQWSA-N 2 0 214.353 1.330 10 0 BDAERP C[C@H]1CC[N@@H+](C2CCSCC2)C[C@@H]1[NH3+] ZINC000069718456 373643216 /nfs/dbraw/zinc/64/32/16/373643216.db2.gz UXDFSWBYLJGFOP-ONGXEEELSA-N 2 0 214.378 1.551 10 0 BDAERP CCCN(C(C)C)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000037095898 169049104 /nfs/dbraw/zinc/04/91/04/169049104.db2.gz HFDLXTLULUIQQL-UHFFFAOYSA-N 2 0 241.423 1.920 10 0 BDAERP CCC[N@H+](C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000104313260 169077470 /nfs/dbraw/zinc/07/74/70/169077470.db2.gz RCDRPQHLHXIDFE-AWEZNQCLSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[N@H+](CCC[NH3+])[C@@H](C)C(=O)N(CC)CC ZINC000036731909 169155863 /nfs/dbraw/zinc/15/58/63/169155863.db2.gz YNDZFKCEVXXNEN-LBPRGKRZSA-N 2 0 243.395 1.304 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@H]([NH2+]CC)C2)CC1 ZINC000049557858 169186633 /nfs/dbraw/zinc/18/66/33/169186633.db2.gz YCCWMGCOIHXQFL-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCN([C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000019405920 169202827 /nfs/dbraw/zinc/20/28/27/169202827.db2.gz QFEWKKWUCUACPO-CHWSQXEVSA-N 2 0 225.380 1.284 10 0 BDAERP CCC[NH+]1CCN(CCCC[NH2+]C(C)C)CC1 ZINC000037634921 169202981 /nfs/dbraw/zinc/20/29/81/169202981.db2.gz NKFARTCNWYCERX-UHFFFAOYSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]C[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000053031622 169262846 /nfs/dbraw/zinc/26/28/46/169262846.db2.gz FPHNWBNAXSOPSU-ZDUSSCGKSA-N 2 0 236.363 1.205 10 0 BDAERP CCC[NH2+][C@H](C)CN1CCC(C[NH+](C)C)CC1 ZINC000044472421 169285725 /nfs/dbraw/zinc/28/57/25/169285725.db2.gz DLGGOEDVGOYRTI-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CC3)C2)nc1 ZINC000053012174 183393991 /nfs/dbraw/zinc/39/39/91/183393991.db2.gz DXKCDIPNIDMZFR-CYBMUJFWSA-N 2 0 245.370 1.698 10 0 BDAERP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000053875918 169282375 /nfs/dbraw/zinc/28/23/75/169282375.db2.gz FUNVITOQECLYRL-BFHYXJOUSA-N 2 0 240.391 1.611 10 0 BDAERP CCCO[C@@H]1CCC[N@H+](CCCCC(N)=[NH2+])C1 ZINC000042422688 169310496 /nfs/dbraw/zinc/31/04/96/169310496.db2.gz CXKOQOAMBNHSQC-GFCCVEGCSA-N 2 0 241.379 1.984 10 0 BDAERP CCC[NH2+][C@H]1CCC[C@@H]1C[N@H+](CCO)C1CC1 ZINC000053880276 169291055 /nfs/dbraw/zinc/29/10/55/169291055.db2.gz YBEWRGSALSFKDZ-OCCSQVGLSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000053875920 169291581 /nfs/dbraw/zinc/29/15/81/169291581.db2.gz FUNVITOQECLYRL-MJBXVCDLSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[C@@H](C)N(C)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000036790280 169364144 /nfs/dbraw/zinc/36/41/44/169364144.db2.gz MVKDRTCZUBXODQ-CYBMUJFWSA-N 2 0 241.423 1.920 10 0 BDAERP CCC[C@@H]([NH3+])[C@H](CC)N1CCC([NH+](C)C)CC1 ZINC000036191806 169393131 /nfs/dbraw/zinc/39/31/31/169393131.db2.gz NXPYQCUKBVRZCZ-KGLIPLIRSA-N 2 0 241.423 1.918 10 0 BDAERP C[C@H]1SCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000235599003 384314200 /nfs/dbraw/zinc/31/42/00/384314200.db2.gz HMEURXZLWQQYLQ-ZJUUUORDSA-N 2 0 200.351 1.176 10 0 BDAERP C[N@@H+](CC(=O)c1ccc[nH]1)CC1CC[NH2+]CC1 ZINC000095071327 384341538 /nfs/dbraw/zinc/34/15/38/384341538.db2.gz UDADQJJOIIBMRW-UHFFFAOYSA-N 2 0 235.331 1.129 10 0 BDAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc[nH]1 ZINC000095068251 384330299 /nfs/dbraw/zinc/33/02/99/384330299.db2.gz HVCYJXIVDRWBNC-WHXUTIOJSA-N 2 0 207.321 1.935 10 0 BDAERP FC(F)(F)C12C[NH2+]CC1(C(F)(F)F)C[NH2+]C2 ZINC000098096571 384592460 /nfs/dbraw/zinc/59/24/60/384592460.db2.gz RBCZSLMKIQFPOP-UHFFFAOYSA-N 2 0 248.170 1.290 10 0 BDAERP CO[C@@H](C)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000308549434 384796766 /nfs/dbraw/zinc/79/67/66/384796766.db2.gz SUHWQGLQQVLQLQ-QWRGUYRKSA-N 2 0 200.326 1.143 10 0 BDAERP COc1cccc(C[NH2+]CC[C@@H](C)[NH3+])c1 ZINC000258779367 384943697 /nfs/dbraw/zinc/94/36/97/384943697.db2.gz OXMOVSIDHNVZGK-SNVBAGLBSA-N 2 0 208.305 1.522 10 0 BDAERP Fc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000258770524 384944738 /nfs/dbraw/zinc/94/47/38/384944738.db2.gz AQFQHQOAYLJKSU-LLVKDONJSA-N 2 0 208.280 1.525 10 0 BDAERP Cc1c[nH+]c(C2CC2)n1C1CC[NH2+]CC1 ZINC000169676737 385416871 /nfs/dbraw/zinc/41/68/71/385416871.db2.gz QTBLICCYEZMWJP-UHFFFAOYSA-N 2 0 205.305 1.993 10 0 BDAERP C[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)C[NH+](C)C ZINC000336690620 385721546 /nfs/dbraw/zinc/72/15/46/385721546.db2.gz MHEYRQIYIZATLX-WOPDTQHZSA-N 2 0 214.353 1.199 10 0 BDAERP [NH3+][C@@H]1CCCN(CC[C@@H]2CCCC2=O)C1 ZINC000224496147 386142156 /nfs/dbraw/zinc/14/21/56/386142156.db2.gz NOLRCAMIIKMOOJ-WDEREUQCSA-N 2 0 210.321 1.169 10 0 BDAERP CC[N@H+](CCN[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000519698309 386529197 /nfs/dbraw/zinc/52/91/97/386529197.db2.gz IKQOQUDQGYUGMU-QWHCGFSZSA-N 2 0 239.407 1.448 10 0 BDAERP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000335497781 386623665 /nfs/dbraw/zinc/62/36/65/386623665.db2.gz ZDLHTBXYWYHHDF-NWDGAFQWSA-N 2 0 208.349 1.908 10 0 BDAERP C[C@H]1COCC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000192453236 386770404 /nfs/dbraw/zinc/77/04/04/386770404.db2.gz YNDZPDUGOIMPPH-NWDGAFQWSA-N 2 0 228.380 1.589 10 0 BDAERP CO[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000308397036 386927796 /nfs/dbraw/zinc/92/77/96/386927796.db2.gz RBNMBEXQTHNVTM-TYUFSLCMSA-N 2 0 238.375 1.804 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CCO)C1 ZINC000228349659 387084332 /nfs/dbraw/zinc/08/43/32/387084332.db2.gz JQRICNAUWKGZMH-UONOGXRCSA-N 2 0 240.391 1.565 10 0 BDAERP COc1cccc([C@H]([NH3+])CCC[NH3+])c1OC ZINC000575438748 387119603 /nfs/dbraw/zinc/11/96/03/387119603.db2.gz HMCWLDOEJBCWOM-SNVBAGLBSA-N 2 0 224.304 1.443 10 0 BDAERP COc1ccc([C@H]([NH3+])CCC[NH3+])c(F)c1 ZINC000575438741 387119648 /nfs/dbraw/zinc/11/96/48/387119648.db2.gz GPHGNDCCZMLKEL-LLVKDONJSA-N 2 0 212.268 1.573 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000575438860 387120079 /nfs/dbraw/zinc/12/00/79/387120079.db2.gz NOINPVJJLCEPTJ-VIFPVBQESA-N 2 0 218.222 1.843 10 0 BDAERP COc1cc([C@H]([NH3+])CCC[NH3+])ccc1O ZINC000575439381 387123471 /nfs/dbraw/zinc/12/34/71/387123471.db2.gz HWXBPFTUSMHYJI-SECBINFHSA-N 2 0 210.277 1.140 10 0 BDAERP COc1cc([C@@H]([NH3+])CCC[NH3+])ccc1C ZINC000575438312 387128615 /nfs/dbraw/zinc/12/86/15/387128615.db2.gz HMHATCWYOVSYBP-NSHDSACASA-N 2 0 208.305 1.742 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1cccc2[nH]ccc21 ZINC000575438369 387129133 /nfs/dbraw/zinc/12/91/33/387129133.db2.gz IDPKRFAPKCOUIR-NSHDSACASA-N 2 0 203.289 1.907 10 0 BDAERP COc1ccc([C@H]([NH3+])CCCC[NH3+])c(F)c1 ZINC000575438700 387133162 /nfs/dbraw/zinc/13/31/62/387133162.db2.gz AGZBJAPZDRIINQ-GFCCVEGCSA-N 2 0 226.295 1.963 10 0 BDAERP [NH3+][C@H]1C[C@H](C[N@@H+]2CCC=C(Cl)C2)C1 ZINC000575483880 387194269 /nfs/dbraw/zinc/19/42/69/387194269.db2.gz RXTCBECWSGYKBI-CZMCAQCFSA-N 2 0 200.713 1.552 10 0 BDAERP C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400436799 387299772 /nfs/dbraw/zinc/29/97/72/387299772.db2.gz MWRFOCJQVYKQDS-GHMZBOCLSA-N 2 0 224.373 1.878 10 0 BDAERP C[C@@H]1C[C@]2(C[C@@H]([NH3+])CO2)C[N@@H+]1Cc1ccccc1 ZINC000575506882 387374979 /nfs/dbraw/zinc/37/49/79/387374979.db2.gz COKDIFDYDMUQNW-YUELXQCFSA-N 2 0 246.354 1.767 10 0 BDAERP C[C@@H]1C[C@@]2(C[C@@H]([NH3+])CO2)C[N@@H+]1Cc1ccccc1 ZINC000575506871 387375847 /nfs/dbraw/zinc/37/58/47/387375847.db2.gz COKDIFDYDMUQNW-BPLDGKMQSA-N 2 0 246.354 1.767 10 0 BDAERP C[C@H]([NH2+]CCCOCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000643457829 387817263 /nfs/dbraw/zinc/81/72/63/387817263.db2.gz XIGDTEZCFZASLY-JSGCOSHPSA-N 2 0 240.391 1.781 10 0 BDAERP CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[NH2+]CC2)C1 ZINC000422970539 387818176 /nfs/dbraw/zinc/81/81/76/387818176.db2.gz GQUNWLWCSYYIGC-KGLIPLIRSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000423108526 387892417 /nfs/dbraw/zinc/89/24/17/387892417.db2.gz TXIOGSBDYPXXRR-XVIXHAIJSA-N 2 0 240.391 1.907 10 0 BDAERP CO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C12CCC2 ZINC000423171306 387957744 /nfs/dbraw/zinc/95/77/44/387957744.db2.gz OBAQOIRKXZPSQC-YNEHKIRRSA-N 2 0 238.375 1.676 10 0 BDAERP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400509566 387986543 /nfs/dbraw/zinc/98/65/43/387986543.db2.gz FEDFAYALLYYSIK-CYZMBNFOSA-N 2 0 228.380 1.371 10 0 BDAERP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000517918247 256554402 /nfs/dbraw/zinc/55/44/02/256554402.db2.gz ADYZANLHZWPYLT-IHRRRGAJSA-N 2 0 241.423 1.694 10 0 BDAERP C[C@H]([NH2+]Cc1cccc(CO)c1)[C@@H]1CCC[NH2+]C1 ZINC000520564991 256674602 /nfs/dbraw/zinc/67/46/02/256674602.db2.gz XGJMBCHRASTUCS-SWLSCSKDSA-N 2 0 248.370 1.657 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CS1 ZINC000307367268 388423743 /nfs/dbraw/zinc/42/37/43/388423743.db2.gz MTAAWOVLSLMSNZ-MXWKQRLJSA-N 2 0 214.378 1.612 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000247957831 388672256 /nfs/dbraw/zinc/67/22/56/388672256.db2.gz FVDNQNUPZUIZCM-AAVRWANBSA-N 2 0 240.391 1.610 10 0 BDAERP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000530224370 388634379 /nfs/dbraw/zinc/63/43/79/388634379.db2.gz LVTWJOKFUZNQIK-IEECTRCBSA-N 2 0 226.364 1.530 10 0 BDAERP C[C@H]([NH2+]CC1(CO)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564826528 388891455 /nfs/dbraw/zinc/89/14/55/388891455.db2.gz RVFPVBRUODNSJV-STQMWFEESA-N 2 0 240.391 1.517 10 0 BDAERP C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564824412 388891841 /nfs/dbraw/zinc/89/18/41/388891841.db2.gz NAGPEIMCRHBBGC-KBPBESRZSA-N 2 0 239.407 1.450 10 0 BDAERP CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089200 388986109 /nfs/dbraw/zinc/98/61/09/388986109.db2.gz FGDIYWIMBITZSS-UTUOFQBUSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000566088736 388986599 /nfs/dbraw/zinc/98/65/99/388986599.db2.gz DJNVZUNBILFKEK-IACUBPJLSA-N 2 0 240.391 1.515 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000565827605 388970963 /nfs/dbraw/zinc/97/09/63/388970963.db2.gz KQQSCVYJZIMIGK-ZDEQEGDKSA-N 2 0 226.364 1.125 10 0 BDAERP Cc1c(C[NH2+]CC2=CC[N@H+](C)CC2)cnn1C ZINC000271843915 389027030 /nfs/dbraw/zinc/02/70/30/389027030.db2.gz RIPIBVJWKFYORQ-UHFFFAOYSA-N 2 0 234.347 1.080 10 0 BDAERP C[C@@H](NCC1([NH+](C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000400515195 533360426 /nfs/dbraw/zinc/36/04/26/533360426.db2.gz KJGSXJWNPURUCF-NEPJUHHUSA-N 2 0 225.380 1.058 10 0 BDAERP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400513965 533445662 /nfs/dbraw/zinc/44/56/62/533445662.db2.gz MLVQHJISWBPQNB-ZYHUDNBSSA-N 2 0 222.307 1.913 10 0 BDAERP C[C@@H](NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400318149 533392342 /nfs/dbraw/zinc/39/23/42/533392342.db2.gz AULDSAYYCLLPOH-OLZOCXBDSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400512104 533512538 /nfs/dbraw/zinc/51/25/38/533512538.db2.gz FQWSERZPJKDPBH-BPLDGKMQSA-N 2 0 248.370 1.178 10 0 BDAERP CCC[NH+]1CCN(c2ncccc2C[NH2+]C)CC1 ZINC000051436322 132360912 /nfs/dbraw/zinc/36/09/12/132360912.db2.gz HOTAFFSFCAOQOC-UHFFFAOYSA-N 2 0 248.374 1.333 10 0 BDAERP Cc1ccc(C[NH3+])c(N2CCC([NH+](C)C)CC2)c1 ZINC000051579081 132361526 /nfs/dbraw/zinc/36/15/26/132361526.db2.gz AXAMPMVPRLZUGE-UHFFFAOYSA-N 2 0 247.386 1.984 10 0 BDAERP C[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1 ZINC000053706625 132363377 /nfs/dbraw/zinc/36/33/77/132363377.db2.gz GXBYRNWRWRDUSX-LBPRGKRZSA-N 2 0 205.305 1.660 10 0 BDAERP OCC[N@H+](CCC[NH+]1CCCC1)C1CCC1 ZINC000221185544 134317215 /nfs/dbraw/zinc/31/72/15/134317215.db2.gz UWVXJEYYVIQNTR-UHFFFAOYSA-N 2 0 226.364 1.319 10 0 BDAERP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C[C@H](C)O ZINC000248745832 135020110 /nfs/dbraw/zinc/02/01/10/135020110.db2.gz BBDPXRVRUBSBJY-YJBUHQLJSA-N 2 0 240.391 1.608 10 0 BDAERP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251155620 135065503 /nfs/dbraw/zinc/06/55/03/135065503.db2.gz BJJMVYFDYBIFCV-LOWDOPEQSA-N 2 0 226.364 1.268 10 0 BDAERP CC1(C)C[N@H+](Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000261701028 135246513 /nfs/dbraw/zinc/24/65/13/135246513.db2.gz ICFRHLUCBQYGHK-ZDUSSCGKSA-N 2 0 233.359 1.828 10 0 BDAERP CC1(C)CCC(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263150632 135335895 /nfs/dbraw/zinc/33/58/95/135335895.db2.gz DASDEVHILWRTJM-QWHCGFSZSA-N 2 0 240.391 1.373 10 0 BDAERP Cc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000263279472 135344492 /nfs/dbraw/zinc/34/44/92/135344492.db2.gz UAQYVGPLPDLXPB-CABCVRRESA-N 2 0 248.370 1.282 10 0 BDAERP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263310743 135345899 /nfs/dbraw/zinc/34/58/99/135345899.db2.gz YNZRJTLEUSCTDQ-AEGPPILISA-N 2 0 248.370 1.096 10 0 BDAERP C[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@H]1O ZINC000299891583 135381223 /nfs/dbraw/zinc/38/12/23/135381223.db2.gz WHTVQZKFMLVFOV-CHWSQXEVSA-N 2 0 226.364 1.175 10 0 BDAERP C[C@H](O)[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000166116795 136074121 /nfs/dbraw/zinc/07/41/21/136074121.db2.gz SETXOWGPMPTXDC-STQMWFEESA-N 2 0 226.364 1.175 10 0 BDAERP C[C@@H]1CC[C@@H]([NH3+])CN1[C@@H]1CCSC1 ZINC000575480274 398022448 /nfs/dbraw/zinc/02/24/48/398022448.db2.gz HSFOMFYBYVWCCI-OPRDCNLKSA-N 2 0 200.351 1.304 10 0 BDAERP CC(C)[NH2+]CC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000053659697 167100604 /nfs/dbraw/zinc/10/06/04/167100604.db2.gz MJGHKQIVIPAKKF-AWEZNQCLSA-N 2 0 240.391 1.875 10 0 BDAERP CC(C)[NH2+]C[C@H]1CCCN([C@@H]2CC[N@H+](C)C2)C1 ZINC000063137005 167114966 /nfs/dbraw/zinc/11/49/66/167114966.db2.gz PSUYXCOOATUWAP-ZIAGYGMSSA-N 2 0 239.407 1.401 10 0 BDAERP CC(C)C[NH2+]C[C@H]1CCCCN1CC[NH+](C)C ZINC000053653095 167006498 /nfs/dbraw/zinc/00/64/98/167006498.db2.gz PTBFEKXJTWSLEJ-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC000037477328 167103999 /nfs/dbraw/zinc/10/39/99/167103999.db2.gz VJKPEKIMGNQSJQ-UHFFFAOYSA-N 2 0 213.369 1.010 10 0 BDAERP CC(C)[NH2+]CCNCC[NH+]1CCCCCC1 ZINC000049474879 167107063 /nfs/dbraw/zinc/10/70/63/167107063.db2.gz WUBDSEFWPLMZPX-UHFFFAOYSA-N 2 0 227.396 1.450 10 0 BDAERP CC(C)[NH2+]CCNCCC[NH+]1CCCCC1 ZINC000049474760 167107787 /nfs/dbraw/zinc/10/77/87/167107787.db2.gz CKXNKDATCBMGQN-UHFFFAOYSA-N 2 0 227.396 1.450 10 0 BDAERP Cc1cnc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000656199847 411203966 /nfs/dbraw/zinc/20/39/66/411203966.db2.gz FSSXRFUKGUHJJN-CQSZACIVSA-N 2 0 247.386 1.973 10 0 BDAERP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656781976 411357970 /nfs/dbraw/zinc/35/79/70/411357970.db2.gz BKQKIJRHCFRMMZ-QWHCGFSZSA-N 2 0 233.359 1.774 10 0 BDAERP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000659926040 411500036 /nfs/dbraw/zinc/50/00/36/411500036.db2.gz KNJHTZMOLBUVST-JHJVBQTASA-N 2 0 226.364 1.173 10 0 BDAERP CC[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763376 170110562 /nfs/dbraw/zinc/11/05/62/170110562.db2.gz HAOTULPSYMRHKF-ZDUSSCGKSA-N 2 0 242.407 1.859 10 0 BDAERP CC[NH2+]CCNCCC[NH+]1CCCCC1 ZINC000049478457 170115503 /nfs/dbraw/zinc/11/55/03/170115503.db2.gz VQOGMYZYURDWBP-UHFFFAOYSA-N 2 0 213.369 1.062 10 0 BDAERP CC[NH2+]CC[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972176 170117375 /nfs/dbraw/zinc/11/73/75/170117375.db2.gz VXAOEFBWDOCLFC-KBPBESRZSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479952 170117967 /nfs/dbraw/zinc/11/79/67/170117967.db2.gz FJPCTNDHQUAPFH-AWEZNQCLSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+]C[C@@H](C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000082485188 170118756 /nfs/dbraw/zinc/11/87/56/170118756.db2.gz FALKZLXNFVXZAZ-GFCCVEGCSA-N 2 0 227.396 1.258 10 0 BDAERP CC[NH2+]C[C@@H](C)C[N@H+](CCCOC)CCOC ZINC000052543213 170119196 /nfs/dbraw/zinc/11/91/96/170119196.db2.gz CRSBPBHKQHEISD-CYBMUJFWSA-N 2 0 246.395 1.217 10 0 BDAERP CC[NH2+]C[C@H]1CC[C@H](COCCC[NH+](C)C)O1 ZINC000052672624 170123832 /nfs/dbraw/zinc/12/38/32/170123832.db2.gz GWWZWKKHJJUNLE-CHWSQXEVSA-N 2 0 244.379 1.112 10 0 BDAERP CC[NH2+][C@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052061293 170156799 /nfs/dbraw/zinc/15/67/99/170156799.db2.gz GUTYVVFRSMFXIU-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCC(O)CC1 ZINC000053860490 170166934 /nfs/dbraw/zinc/16/69/34/170166934.db2.gz SPTZMUVPBGNKHI-YPMHNXCESA-N 2 0 226.364 1.221 10 0 BDAERP CCOC(=O)[C@H](C)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166313 170264328 /nfs/dbraw/zinc/26/43/28/170264328.db2.gz ICFXHEVCSBLGED-LLVKDONJSA-N 2 0 242.363 1.117 10 0 BDAERP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+](CCO)C1CC1 ZINC000051285075 171166089 /nfs/dbraw/zinc/16/60/89/171166089.db2.gz WOYFYTDGHXNHHT-AWEZNQCLSA-N 2 0 242.407 1.857 10 0 BDAERP CC[C@@](C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000123578206 171177926 /nfs/dbraw/zinc/17/79/26/171177926.db2.gz RAEMAXNPRABASF-CQSZACIVSA-N 2 0 240.391 1.708 10 0 BDAERP CC[C@H](C(N)=O)[N@H+](CCC[NH3+])C1CCCCC1 ZINC000061676117 171243405 /nfs/dbraw/zinc/24/34/05/171243405.db2.gz IEONUHIRQNJJAP-GFCCVEGCSA-N 2 0 241.379 1.234 10 0 BDAERP CC[C@H](C)[NH+]1CCN(CC(C)(C)C[NH2+]C)CC1 ZINC000055072111 171318802 /nfs/dbraw/zinc/31/88/02/171318802.db2.gz DXDRAAPGMGRSJT-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000055066891 171319502 /nfs/dbraw/zinc/31/95/02/171319502.db2.gz SHFOVTHUEOYENR-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCOC)C1 ZINC000076461527 171342067 /nfs/dbraw/zinc/34/20/67/171342067.db2.gz BSZDKCJOOMOHAX-NWDGAFQWSA-N 2 0 214.353 1.343 10 0 BDAERP CC[C@H](C)[NH2+]CC1C(=O)[O+]=NN1C(C)C ZINC000083250950 171342528 /nfs/dbraw/zinc/34/25/28/171342528.db2.gz MDYVULBGGZOHOF-QMMMGPOBSA-O 2 0 214.289 1.137 10 0 BDAERP CC[C@H](C)[C@@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064297 171368629 /nfs/dbraw/zinc/36/86/29/171368629.db2.gz KRIZAIQDGLXTLP-MELADBBJSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220748 171371031 /nfs/dbraw/zinc/37/10/31/171371031.db2.gz DSVMDWNROXGCHB-SDDRHHMPSA-N 2 0 243.395 1.062 10 0 BDAERP CO[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000665276161 412218986 /nfs/dbraw/zinc/21/89/86/412218986.db2.gz ZKMWSFYBJDILEC-ZIAGYGMSSA-N 2 0 240.391 1.923 10 0 BDAERP CO[C@@H](C[NH2+]C1CC[NH2+]CC1)C1CCCC1 ZINC000665275696 412219245 /nfs/dbraw/zinc/21/92/45/412219245.db2.gz PIQGQTNERSDZNK-ZDUSSCGKSA-N 2 0 226.364 1.533 10 0 BDAERP CC[C@](C)(C[NH3+])CN1CC[NH+](C(C)(C)C)CC1 ZINC000051257988 171691843 /nfs/dbraw/zinc/69/18/43/171691843.db2.gz RZBUCLXHOAOHGO-CQSZACIVSA-N 2 0 241.423 1.778 10 0 BDAERP CCn1cc[nH+]c1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050614400 172227423 /nfs/dbraw/zinc/22/74/23/172227423.db2.gz HBXREEAZAVCBRI-GHMZBOCLSA-N 2 0 222.336 1.703 10 0 BDAERP CCn1cc[nH+]c1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000050614377 172228218 /nfs/dbraw/zinc/22/82/18/172228218.db2.gz KTBDKVSREVTKDA-UWVGGRQHSA-N 2 0 208.309 1.585 10 0 BDAERP CN(CC[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000042171868 172988076 /nfs/dbraw/zinc/98/80/76/172988076.db2.gz JAXRMMPLPCFXAH-LBPRGKRZSA-N 2 0 225.380 1.155 10 0 BDAERP C[N@@H+]1CCCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000020217628 173016683 /nfs/dbraw/zinc/01/66/83/173016683.db2.gz FOTJHUJTFCCISB-UHFFFAOYSA-N 2 0 246.358 1.108 10 0 BDAERP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000044535985 173040976 /nfs/dbraw/zinc/04/09/76/173040976.db2.gz NGKUKYWLODTXHO-OLZOCXBDSA-N 2 0 226.364 1.487 10 0 BDAERP C[NH+]1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000049820247 173078091 /nfs/dbraw/zinc/07/80/91/173078091.db2.gz ZAKIBZHMZBBOPQ-UHFFFAOYSA-N 2 0 225.380 1.143 10 0 BDAERP C[NH+]1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000032022146 173093473 /nfs/dbraw/zinc/09/34/73/173093473.db2.gz VHXCHUHLNGADJK-OAHLLOKOSA-N 2 0 247.386 1.194 10 0 BDAERP C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2N)C1 ZINC000037484616 173118456 /nfs/dbraw/zinc/11/84/56/173118456.db2.gz XMIUIGQKVLMKGD-VIFPVBQESA-N 2 0 206.293 1.027 10 0 BDAERP C[N@@H+]1CC[C@@](CC[NH3+])(c2cccs2)C1 ZINC000077304291 173136158 /nfs/dbraw/zinc/13/61/58/173136158.db2.gz KGXIPFVKVNZOKH-LLVKDONJSA-N 2 0 210.346 1.670 10 0 BDAERP C[N@@H+]1CC[C@H](CN2Cc3ccccc3C2=[NH2+])C1 ZINC000037647619 173145873 /nfs/dbraw/zinc/14/58/73/173145873.db2.gz QBHJIFNOTQHNKK-NSHDSACASA-N 2 0 229.327 1.779 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000037894274 173147583 /nfs/dbraw/zinc/14/75/83/173147583.db2.gz MBIOBTVCXFTHJE-CYBMUJFWSA-N 2 0 240.391 1.613 10 0 BDAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCC([NH3+])CC1)C2 ZINC000051693498 173205881 /nfs/dbraw/zinc/20/58/81/173205881.db2.gz KKVUZYASFGXONQ-ZRRUAHMRSA-N 3 0 237.391 1.471 10 0 BDAERP C[NH2+]CC(C)(C)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061934218 173335812 /nfs/dbraw/zinc/33/58/12/173335812.db2.gz ZIVHIKJUPATNFF-NSHDSACASA-N 2 0 214.353 1.343 10 0 BDAERP C[NH2+]CC(C)(C)CN1CC[NH+](CC(C)C)CC1 ZINC000055081824 173336910 /nfs/dbraw/zinc/33/69/10/173336910.db2.gz QCBYTOWHNQZDPJ-UHFFFAOYSA-N 2 0 241.423 1.506 10 0 BDAERP C[NH2+]CCCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702352 173349620 /nfs/dbraw/zinc/34/96/20/173349620.db2.gz XNNRPLQEEOVHLH-OAHLLOKOSA-N 2 0 248.370 1.887 10 0 BDAERP C[NH2+]CCNCCC[N@@H+]1CCCC[C@@H]1C ZINC000049477757 173356344 /nfs/dbraw/zinc/35/63/44/173356344.db2.gz ORIVOTMPOARHED-LBPRGKRZSA-N 2 0 213.369 1.060 10 0 BDAERP C[NH2+]C[C@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000053032006 173381801 /nfs/dbraw/zinc/38/18/01/173381801.db2.gz WGLXJORBDIDGAY-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP C[NH2+]Cc1cc(C[N@@H+]2CCCC[C@@H]2C)on1 ZINC000052378766 173386612 /nfs/dbraw/zinc/38/66/12/173386612.db2.gz NVHNVYNROQZHOZ-JTQLQIEISA-N 2 0 223.320 1.768 10 0 BDAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)C2)on1 ZINC000052381331 173387605 /nfs/dbraw/zinc/38/76/05/173387605.db2.gz ZSTAZFXUNAVHCC-SNVBAGLBSA-N 2 0 223.320 1.626 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCC[C@H]1C ZINC000052375683 173391653 /nfs/dbraw/zinc/39/16/53/173391653.db2.gz NCFAJKCILUCUCH-SNVBAGLBSA-N 2 0 208.305 1.983 10 0 BDAERP C[NH2+]Cc1coc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000052375969 173392840 /nfs/dbraw/zinc/39/28/40/173392840.db2.gz ITNRIXKZYUNSGT-SNVBAGLBSA-N 2 0 208.305 1.983 10 0 BDAERP C[NH2+]Cc1oc(C[NH+]2CCCC2)cc1C ZINC000052377628 173399664 /nfs/dbraw/zinc/39/96/64/173399664.db2.gz FNTMONPVAVBZQF-UHFFFAOYSA-N 2 0 208.305 1.903 10 0 BDAERP COC1CC[NH+]([C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000037265718 174029754 /nfs/dbraw/zinc/02/97/54/174029754.db2.gz RJRVJLOHYBBLAW-AAEUAGOBSA-N 2 0 226.364 1.615 10 0 BDAERP COC1CC[NH+]([C@@H]2C[C@H](C)CC[C@H]2C[NH3+])CC1 ZINC000037265709 174031207 /nfs/dbraw/zinc/03/12/07/174031207.db2.gz VDRYGTSWQQTUEM-MBNYWOFBSA-N 2 0 240.391 1.861 10 0 BDAERP COCCC[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049665796 174229282 /nfs/dbraw/zinc/22/92/82/174229282.db2.gz IFFBBJFVFTZXDA-NSHDSACASA-N 2 0 200.326 1.097 10 0 BDAERP COCCC[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049665805 174233715 /nfs/dbraw/zinc/23/37/15/174233715.db2.gz VMHPHMZKZVSGHG-VXGBXAGGSA-N 2 0 214.353 1.485 10 0 BDAERP COCC[N@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000042517607 174284920 /nfs/dbraw/zinc/28/49/20/174284920.db2.gz WYMOZTQVCJPNFN-OUCADQQQSA-N 2 0 240.391 1.861 10 0 BDAERP COCC[N@@H+](Cc1ccc(C[NH3+])o1)CC(C)C ZINC000052508538 174299826 /nfs/dbraw/zinc/29/98/26/174299826.db2.gz KTYSPZXGCMIJGQ-UHFFFAOYSA-N 2 0 240.347 1.843 10 0 BDAERP COCCN([C@H](C)COC)[C@@](C)(C[NH3+])C1CC1 ZINC000042602976 174301911 /nfs/dbraw/zinc/30/19/11/174301911.db2.gz JJJVQZPCZWMEIC-YPMHNXCESA-N 2 0 244.379 1.097 10 0 BDAERP COCC[C@@H]([NH3+])CN(C)Cc1cccc(C)c1 ZINC000052810793 174392419 /nfs/dbraw/zinc/39/24/19/174392419.db2.gz LFIRHTCWUDDREV-CQSZACIVSA-N 2 0 236.359 1.791 10 0 BDAERP CCC[N@H+](CC)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000225814026 487629735 /nfs/dbraw/zinc/62/97/35/487629735.db2.gz ZSCFDTKOADWCCF-LBPRGKRZSA-N 2 0 243.395 1.208 10 0 BDAERP COc1ccc(C)cc1[C@H](C[NH3+])CC[NH+](C)C ZINC000041271830 175081832 /nfs/dbraw/zinc/08/18/32/175081832.db2.gz BKFSIOYFPFFIQI-LBPRGKRZSA-N 2 0 236.359 1.998 10 0 BDAERP COc1ccc(CC[N@H+](C)[C@@H](C)CC[NH3+])cc1 ZINC000049828327 175090219 /nfs/dbraw/zinc/09/02/19/175090219.db2.gz JWVDYZVTUDROAW-LBPRGKRZSA-N 2 0 236.359 1.907 10 0 BDAERP COc1ccc(C[NH3+])cc1OCC[NH+](C)C ZINC000011961270 175097662 /nfs/dbraw/zinc/09/76/62/175097662.db2.gz WAZJYMZZFVUCHX-UHFFFAOYSA-N 2 0 224.304 1.094 10 0 BDAERP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C(C)C ZINC000233897287 487632788 /nfs/dbraw/zinc/63/27/88/487632788.db2.gz BVVBFNGUWQXGQT-NWDGAFQWSA-N 2 0 216.369 1.765 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CCN1CCC[NH2+]CC1 ZINC000061274900 176070224 /nfs/dbraw/zinc/07/02/24/176070224.db2.gz HVCVCOKHFXGETA-CYBMUJFWSA-N 2 0 225.380 1.156 10 0 BDAERP C[C@@H]1CCC[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052180811 176096839 /nfs/dbraw/zinc/09/68/39/176096839.db2.gz RVCRBVMDMHDAMF-GFCCVEGCSA-N 2 0 226.364 1.474 10 0 BDAERP C[C@@H]1CCC[N@H+](CCN2CCC[NH2+]CC2)C1 ZINC000061274907 176098910 /nfs/dbraw/zinc/09/89/10/176098910.db2.gz GAPMQEFSYUXPQF-CYBMUJFWSA-N 2 0 225.380 1.014 10 0 BDAERP C[C@@H]1CC[NH+](C2CCOCC2)CC[C@@H](C)[NH2+]1 ZINC000049666377 176166182 /nfs/dbraw/zinc/16/61/82/176166182.db2.gz GQHUQVKWVHBFQZ-VXGBXAGGSA-N 2 0 226.364 1.628 10 0 BDAERP C[C@@H]1CCN(C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000049666476 176172971 /nfs/dbraw/zinc/17/29/71/176172971.db2.gz GVICWVDNKZFEIQ-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](C)CCc1ccncc1 ZINC000104213283 176328471 /nfs/dbraw/zinc/32/84/71/176328471.db2.gz CNVIXQOSBMARIA-TZMCWYRMSA-N 2 0 233.359 1.411 10 0 BDAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C[NH3+])no2)C1 ZINC000052420747 176362043 /nfs/dbraw/zinc/36/20/43/176362043.db2.gz JCLWAHDPVGXNQH-NXEZZACHSA-N 2 0 223.320 1.611 10 0 BDAERP C[C@H]1CCCC[C@]1(CO)[N@@H+]1CCC[NH2+]CC1 ZINC000038117158 177090387 /nfs/dbraw/zinc/09/03/87/177090387.db2.gz LSGWHPNZUDXHFK-QWHCGFSZSA-N 2 0 226.364 1.223 10 0 BDAERP C[C@H]1CCCN([C@]2(C[NH3+])CC[N@@H+](C3CC3)C2)C1 ZINC000061990021 177105696 /nfs/dbraw/zinc/10/56/96/177105696.db2.gz SIJPBLFDFIDMLP-JSGCOSHPSA-N 2 0 237.391 1.284 10 0 BDAERP C[C@H]1CCC[N@@H+]1[C@]1(CN)CCSC1 ZINC000037910490 177112159 /nfs/dbraw/zinc/11/21/59/177112159.db2.gz ZTBWPZHMBGLQJR-UWVGGRQHSA-N 2 0 200.351 1.305 10 0 BDAERP C[C@H]1CCC[C@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000020217716 177143383 /nfs/dbraw/zinc/14/33/83/177143383.db2.gz JZHFXBGRKQLENN-KBPBESRZSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](C)CC2)C1 ZINC000019518271 177143917 /nfs/dbraw/zinc/14/39/17/177143917.db2.gz OSABSNZZYVIJDK-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](C2CCN(C)CC2)C1 ZINC000049665941 177156980 /nfs/dbraw/zinc/15/69/80/177156980.db2.gz HFYROMRHHJOFAF-OLZOCXBDSA-N 2 0 239.407 1.401 10 0 BDAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC1(O)CC[NH2+]CC1 ZINC000051732083 177158749 /nfs/dbraw/zinc/15/87/49/177158749.db2.gz MJVXCZBINFSFCT-NWDGAFQWSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000042824652 177285476 /nfs/dbraw/zinc/28/54/76/177285476.db2.gz UXINUUZTIJIZFB-MJBXVCDLSA-N 2 0 240.391 1.733 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CC2CCC2)C1 ZINC000049665873 177285900 /nfs/dbraw/zinc/28/59/00/177285900.db2.gz VVPVEPLPDAWCHH-RYUDHWBXSA-N 2 0 210.365 1.964 10 0 BDAERP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400334862 225014191 /nfs/dbraw/zinc/01/41/91/225014191.db2.gz FQWSERZPJKDPBH-QEJZJMRPSA-N 2 0 248.370 1.178 10 0 BDAERP C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400416655 225225132 /nfs/dbraw/zinc/22/51/32/225225132.db2.gz VOSKJJJCXOWMPU-SRVKXCTJSA-N 2 0 212.337 1.143 10 0 BDAERP C[C@@H]([NH2+]CCOCC1CC1)[C@H]1CC[NH2+]C1 ZINC000400334027 226341087 /nfs/dbraw/zinc/34/10/87/226341087.db2.gz CRFZARZAPOJJMJ-PWSUYJOCSA-N 2 0 212.337 1.001 10 0 BDAERP C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400444305 226343585 /nfs/dbraw/zinc/34/35/85/226343585.db2.gz PEMIAPLNVVDKOQ-OCCSQVGLSA-N 2 0 218.344 1.817 10 0 BDAERP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)ccn1 ZINC000400707039 226350013 /nfs/dbraw/zinc/35/00/13/226350013.db2.gz CTTYFYFZBQUVGY-ZYHUDNBSSA-N 2 0 235.331 1.178 10 0 BDAERP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398335025 262731857 /nfs/dbraw/zinc/73/18/57/262731857.db2.gz CMSPYLSILLZWSP-LLVKDONJSA-N 2 0 222.307 1.833 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569684502 323036888 /nfs/dbraw/zinc/03/68/88/323036888.db2.gz GWMBBIBUZAYBJV-MGPQQGTHSA-N 2 0 241.423 1.693 10 0 BDAERP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000571669539 323177249 /nfs/dbraw/zinc/17/72/49/323177249.db2.gz VUZYGIJQSVIYCB-MELADBBJSA-N 2 0 239.407 1.306 10 0 BDAERP COc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1C ZINC000398401411 323185829 /nfs/dbraw/zinc/18/58/29/323185829.db2.gz NTKVZBVBUQHMLW-CYBMUJFWSA-N 2 0 234.343 1.703 10 0 BDAERP CCC[C@H](C[NH2+]C1CC[NH2+]CC1)OCC ZINC000530209442 323209861 /nfs/dbraw/zinc/20/98/61/323209861.db2.gz HRXMAHFCKBDKRC-GFCCVEGCSA-N 2 0 214.353 1.533 10 0 BDAERP Cn1ccc([C@H]2[NH2+]CC23CC[NH2+]CC3)c1 ZINC000536958512 323970506 /nfs/dbraw/zinc/97/05/06/323970506.db2.gz GKJVFRDEBMLHOT-LLVKDONJSA-N 2 0 205.305 1.039 10 0 BDAERP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CC[NH2+]C1 ZINC000400779539 324168374 /nfs/dbraw/zinc/16/83/74/324168374.db2.gz PBLASQLRQKKGMC-AAEUAGOBSA-N 2 0 234.343 1.522 10 0 BDAERP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccn1 ZINC000567102570 326116124 /nfs/dbraw/zinc/11/61/24/326116124.db2.gz RFFHNXFWGJGGSD-JSGCOSHPSA-N 2 0 233.359 1.868 10 0 BDAERP C[C@H]([NH2+]CCCn1cccn1)[C@H]1CCC[NH2+]C1 ZINC000567603951 326226974 /nfs/dbraw/zinc/22/69/74/326226974.db2.gz DAFYOIOUQAEGPK-STQMWFEESA-N 2 0 236.363 1.251 10 0 BDAERP CCc1cc(N(CC)CC[NH3+])nc(C)n1 ZINC000084082435 487996873 /nfs/dbraw/zinc/99/68/73/487996873.db2.gz XULZHEFPDCTXMX-UHFFFAOYSA-N 2 0 208.309 1.132 10 0 BDAERP C[N@@H+]1CCC[C@H]2C[NH+]([C@@H]3CCC[C@H]3O)CC[C@H]21 ZINC000299926748 488194813 /nfs/dbraw/zinc/19/48/13/488194813.db2.gz SUSDEALAKFKBDK-REWJHTLYSA-N 2 0 238.375 1.316 10 0 BDAERP C[C@H]1C[NH2+]C[C@]2(CCCN2CC[NH+](C)C)C1 ZINC000757125172 582500312 /nfs/dbraw/zinc/50/03/12/582500312.db2.gz DDGRKOOKGLUBIR-OLZOCXBDSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000757135111 582514030 /nfs/dbraw/zinc/51/40/30/582514030.db2.gz YVOWYHYXNWAPAQ-DGCLKSJQSA-N 2 0 208.349 1.860 10 0 BDAERP C[C@H]1CC(C)(C)O[C@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757153710 582538394 /nfs/dbraw/zinc/53/83/94/582538394.db2.gz WYTARFGGWJKATD-AAEUAGOBSA-N 2 0 226.364 1.975 10 0 BDAERP C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400390083 533847674 /nfs/dbraw/zinc/84/76/74/533847674.db2.gz ZMNRIJSCOUEATC-KBPBESRZSA-N 2 0 239.407 1.450 10 0 BDAERP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)ccn1 ZINC000400707027 533892215 /nfs/dbraw/zinc/89/22/15/533892215.db2.gz CTTYFYFZBQUVGY-CMPLNLGQSA-N 2 0 235.331 1.178 10 0 BDAERP CS[C@H](C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400466433 534061113 /nfs/dbraw/zinc/06/11/13/534061113.db2.gz WDQDFRSBTLUILK-BBBLOLIVSA-N 2 0 202.367 1.326 10 0 BDAERP CC(C)CCOCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400743777 527759758 /nfs/dbraw/zinc/75/97/58/527759758.db2.gz UENXTLCWNRQVFC-OLZOCXBDSA-N 2 0 228.380 1.637 10 0 BDAERP CCCCOCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400744795 528587759 /nfs/dbraw/zinc/58/77/59/528587759.db2.gz UHBXUOCTKPMRER-CHWSQXEVSA-N 2 0 228.380 1.781 10 0 BDAERP CC(C)[NH+](CCN[C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400423060 528907040 /nfs/dbraw/zinc/90/70/40/528907040.db2.gz XRTQPLKRUBHLIU-KGLIPLIRSA-N 2 0 241.423 1.693 10 0 BDAERP CC[NH+]1CCN(c2cc(C)ccc2C(N)=[NH2+])CC1 ZINC000051579122 535743492 /nfs/dbraw/zinc/74/34/92/535743492.db2.gz GADNRJYYIIZZDF-UHFFFAOYSA-N 2 0 246.358 1.421 10 0 BDAERP C[NH+](C)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000227224599 535833012 /nfs/dbraw/zinc/83/30/12/535833012.db2.gz KKTAYCGYDFUFLS-LBPRGKRZSA-N 2 0 214.353 1.175 10 0 BDAERP C[C@@H]1CC[C@@]2(CCCN2CCCF)C[NH2+]1 ZINC000757125363 582499936 /nfs/dbraw/zinc/49/99/36/582499936.db2.gz DJZNJGVPDDQOAZ-NEPJUHHUSA-N 2 0 214.328 1.953 10 0 BDAERP COC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757125642 582500085 /nfs/dbraw/zinc/50/00/85/582500085.db2.gz FERQYMNDSKTXDE-AVGNSLFASA-N 2 0 226.364 1.485 10 0 BDAERP C1CC1[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757145735 582528381 /nfs/dbraw/zinc/52/83/81/582528381.db2.gz QJHCMHAGJDPAOR-ZDUSSCGKSA-N 2 0 236.359 1.729 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757147021 582530935 /nfs/dbraw/zinc/53/09/35/582530935.db2.gz RSGYTCGPELRFMR-UHFFFAOYSA-N 2 0 238.375 1.979 10 0 BDAERP [NH3+]C[C@H]1CC[C@@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757209847 582559947 /nfs/dbraw/zinc/55/99/47/582559947.db2.gz DDCANYMKXXVDEZ-YPMHNXCESA-N 2 0 218.300 1.499 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757218716 582563901 /nfs/dbraw/zinc/56/39/01/582563901.db2.gz VXSBSPVGRFNKQJ-SWHYSGLUSA-N 3 0 233.359 1.533 10 0 BDAERP C[C@H]1CCCC[N@@H+]1C1CCN(CC[NH3+])CC1 ZINC000257773740 582683165 /nfs/dbraw/zinc/68/31/65/582683165.db2.gz RYSGNUOKTYSMND-LBPRGKRZSA-N 2 0 225.380 1.284 10 0 BDAERP CN1CCC([N@H+](C)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675053869 583928779 /nfs/dbraw/zinc/92/87/79/583928779.db2.gz OWCMWESDBBMSJW-OCCSQVGLSA-N 2 0 239.407 1.530 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1CC[C@H]([NH3+])[C@H](C)N1 ZINC000757239229 585330616 /nfs/dbraw/zinc/33/06/16/585330616.db2.gz TUCMGAYHAHLQQB-XDTLVQLUSA-N 2 0 219.332 1.718 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757145780 586428264 /nfs/dbraw/zinc/42/82/64/586428264.db2.gz QLKXWASQWRKSRY-ZDUSSCGKSA-N 2 0 224.348 1.589 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757209275 586438354 /nfs/dbraw/zinc/43/83/54/586438354.db2.gz DOEFWJXAFDYFRO-DDTOSNHZSA-N 3 0 233.359 1.533 10 0 BDAERP C[C@@H]1CN[C@H](c2cccc(N)c2)[C@@H]([NH3+])C1 ZINC000757215211 586440201 /nfs/dbraw/zinc/44/02/01/586440201.db2.gz MUHLVZWWCCQJLT-KPXOXKRLSA-N 2 0 205.305 1.267 10 0 BDAERP c1cc2c(c([C@H]3CCC[NH2+]C3)c1)C[NH2+]CC2 ZINC000757215319 586440788 /nfs/dbraw/zinc/44/07/88/586440788.db2.gz NQZGHIYPKUDSQA-LBPRGKRZSA-N 2 0 216.328 1.799 10 0 BDAERP Nc1cccc([C@@H]2[NH2+]CCC[C@H]2C[NH3+])c1 ZINC000757215385 586440818 /nfs/dbraw/zinc/44/08/18/586440818.db2.gz NIFAOGOMKGNTLC-JQWIXIFHSA-N 2 0 205.305 1.268 10 0 BDAERP [NH3+]Cc1ccc([C@H]2CC[C@H](C[NH3+])C[NH2+]2)cc1 ZINC000757217769 586441767 /nfs/dbraw/zinc/44/17/67/586441767.db2.gz SGZORAKFPPYCQD-DGCLKSJQSA-N 3 0 219.332 1.145 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccc(N)c2)[NH2+]1 ZINC000757220111 586442261 /nfs/dbraw/zinc/44/22/61/586442261.db2.gz ZYHQSEAMNPEFBZ-CDMKHQONSA-N 2 0 219.332 1.657 10 0 BDAERP CC(=O)c1cccc([C@@H]2[NH2+]CCC[C@@H]2C[NH3+])c1 ZINC000757219097 586442459 /nfs/dbraw/zinc/44/24/59/586442459.db2.gz YESADMFSRLPKCG-KGLIPLIRSA-N 2 0 232.327 1.889 10 0 BDAERP Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000757237373 586443833 /nfs/dbraw/zinc/44/38/33/586443833.db2.gz PXMBKHZECYVMFV-WDEREUQCSA-N 2 0 219.332 1.229 10 0 BDAERP C[C@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000220970153 636049525 /nfs/dbraw/zinc/04/95/25/636049525.db2.gz GANIYAZILFWTOJ-RYUDHWBXSA-N 2 0 228.405 1.813 10 0 BDAERP CC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328226082 633742890 /nfs/dbraw/zinc/74/28/90/633742890.db2.gz APAVCVQCOHKZSR-ILXRZTDVSA-N 2 0 248.370 1.432 10 0 BDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000094462286 635353244 /nfs/dbraw/zinc/35/32/44/635353244.db2.gz YBYDPZSACOMJPQ-YIYPIFLZSA-N 2 0 237.391 1.282 10 0 BDAERP CC(C)C[C@H](O)C[NH2+]C1CCC([NH3+])CC1 ZINC000226074441 640724450 /nfs/dbraw/zinc/72/44/50/640724450.db2.gz HWFYMEYGEPZACQ-MCIGGMRASA-N 2 0 214.353 1.253 10 0 BDAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000251540005 643377689 /nfs/dbraw/zinc/37/76/89/643377689.db2.gz YEZDWDXWFKPXBS-VXGBXAGGSA-N 2 0 212.337 1.226 10 0 BDAERP C[NH+](C)CCOCC[NH2+]CCc1ccccc1 ZINC000234247541 643689336 /nfs/dbraw/zinc/68/93/36/643689336.db2.gz PSVMSFHXHPXWBU-UHFFFAOYSA-N 2 0 236.359 1.397 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000193500239 644247613 /nfs/dbraw/zinc/24/76/13/644247613.db2.gz QAEGALHNCUKZHP-NWDGAFQWSA-N 2 0 241.379 1.152 10 0 BDAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000250829880 644782670 /nfs/dbraw/zinc/78/26/70/644782670.db2.gz IRCGTRALIPHMPV-NWDGAFQWSA-N 2 0 212.337 1.369 10 0 BDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000250889817 644785835 /nfs/dbraw/zinc/78/58/35/644785835.db2.gz XKKIOZKOSJJZMQ-CRWXNKLISA-N 2 0 238.375 1.757 10 0 BDAERP CC[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251917076 644830931 /nfs/dbraw/zinc/83/09/31/644830931.db2.gz YEBJTXUOXGBRBZ-IJLUTSLNSA-N 2 0 212.337 1.225 10 0 BDAERP COC[C@H](C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1)C(C)C ZINC000721909660 711814620 /nfs/dbraw/zinc/81/46/20/711814620.db2.gz AZZFHHYXGUPTRB-WOPDTQHZSA-N 2 0 214.353 1.184 10 0 BDAERP c1cc(CC[NH2+]C2CC[NH2+]CC2)sn1 ZINC000709996591 712238784 /nfs/dbraw/zinc/23/87/84/712238784.db2.gz KJNVEZFFZCXSRQ-UHFFFAOYSA-N 2 0 211.334 1.027 10 0 BDAERP CO[C@H]1C[C@@H](C[N@H+](C)[C@H]2CCC[NH2+]CC2)C1 ZINC000721925919 710692760 /nfs/dbraw/zinc/69/27/60/710692760.db2.gz BQECTJHTKGLTDD-RWMBFGLXSA-N 2 0 226.364 1.485 10 0 BDAERP C[C@@H]1CC(C[NH2+][C@@H]2CCCN[C@@H]2C)C[C@@H](C)O1 ZINC000724303890 710737554 /nfs/dbraw/zinc/73/75/54/710737554.db2.gz OSBXQUZKIXUQLA-HKUMRIAESA-N 2 0 240.391 1.920 10 0 BDAERP Cc1cc(N2C3CCC2(C[NH3+])CC3)cc[nH+]1 ZINC000722985679 711493686 /nfs/dbraw/zinc/49/36/86/711493686.db2.gz GZHBDQGLFRYMLY-UHFFFAOYSA-N 2 0 217.316 1.850 10 0 BDAERP Cc1cc(C)nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000723879814 711542240 /nfs/dbraw/zinc/54/22/40/711542240.db2.gz SZBTZKIPEURQHQ-AAEUAGOBSA-N 2 0 233.359 1.725 10 0 BDAERP Cc1cc(C)nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000723879817 711542388 /nfs/dbraw/zinc/54/23/88/711542388.db2.gz SZBTZKIPEURQHQ-WCQYABFASA-N 2 0 233.359 1.725 10 0 BDAERP C[C@H]1C[N@H+](CCSC(F)(F)F)C[C@@H]1C[NH3+] ZINC000708862200 712201299 /nfs/dbraw/zinc/20/12/99/712201299.db2.gz NLCMCBPIMONZPK-YUMQZZPRSA-N 2 0 242.310 1.766 10 0 BDAERP C[C@@H]([NH2+]CCc1ccns1)[C@H]1CCC[NH2+]C1 ZINC000709985272 712237278 /nfs/dbraw/zinc/23/72/78/712237278.db2.gz SEZSAKXTZIXFHC-MNOVXSKESA-N 2 0 239.388 1.663 10 0 BDAERP CC1(C)CC[C@@H](C[NH2+]C2CC[NH2+]CC2)OC1 ZINC000711386470 712296747 /nfs/dbraw/zinc/29/67/47/712296747.db2.gz UAGCVVBNGQLZCA-LBPRGKRZSA-N 2 0 226.364 1.533 10 0 BDAERP C[N@@H+]1CCN(C[C@H]2CCC[NH2+]C2)CCC1(C)C ZINC000712606279 712436873 /nfs/dbraw/zinc/43/68/73/712436873.db2.gz VHDQQWCCCZTFKG-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP COCC1CC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000713972527 712475351 /nfs/dbraw/zinc/47/53/51/712475351.db2.gz JTDQPKLYTHARNU-QQFIATSDSA-N 2 0 224.348 1.271 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2CCOC[C@@H]2C)CC1 ZINC000714752949 712497185 /nfs/dbraw/zinc/49/71/85/712497185.db2.gz FWMDVGMOYPTXER-NWDGAFQWSA-N 2 0 226.364 1.615 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000714753192 712497290 /nfs/dbraw/zinc/49/72/90/712497290.db2.gz IBAHQBGDEYFOGP-VXGBXAGGSA-N 2 0 226.364 1.757 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H](C)[C@H](C)OC)CC1 ZINC000714754865 712497897 /nfs/dbraw/zinc/49/78/97/712497897.db2.gz YQKRXZIPCMBCOX-MNOVXSKESA-N 2 0 214.353 1.613 10 0 BDAERP Cc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)cc[nH+]1 ZINC000721074743 712890078 /nfs/dbraw/zinc/89/00/78/712890078.db2.gz MOKDJJYCPFMTSE-ZYHUDNBSSA-N 2 0 219.332 1.469 10 0 BDAERP CC(C)[C@H]1CN(C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000199442977 398191896 /nfs/dbraw/zinc/19/18/96/398191896.db2.gz KQNAVANFSQEZIR-CYBMUJFWSA-N 2 0 225.380 1.010 10 0 BDAERP C[N@H+](CCc1cn[nH]c1)[C@H]1CCC[NH2+]CC1 ZINC000380960517 398215090 /nfs/dbraw/zinc/21/50/90/398215090.db2.gz APPHLLWUGQOCCD-LBPRGKRZSA-N 2 0 222.336 1.026 10 0 BDAERP Cc1cc2c(n1CC[NH+](C)C)CCC[C@H]2[NH3+] ZINC000041726919 178293311 /nfs/dbraw/zinc/29/33/11/178293311.db2.gz OVMIUIALWFERDX-GFCCVEGCSA-N 2 0 221.348 1.694 10 0 BDAERP C[NH+](C)[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616589738 349574081 /nfs/dbraw/zinc/57/40/81/349574081.db2.gz KXMXDQBKFBMXLA-LBPRGKRZSA-N 2 0 219.332 1.458 10 0 BDAERP CCC(CC)NC(=O)CN(CC)C[C@H](C)C[NH3+] ZINC000042443256 168377840 /nfs/dbraw/zinc/37/78/40/168377840.db2.gz IFUHTZPTDYGBQI-LLVKDONJSA-N 2 0 243.395 1.208 10 0 BDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037164677 538961649 /nfs/dbraw/zinc/96/16/49/538961649.db2.gz HAXIJNYYROTBKB-KBPBESRZSA-N 2 0 240.391 1.752 10 0 BDAERP C1CC([NH+]2CCC(OC3CC[NH2+]CC3)CC2)C1 ZINC000145716186 342762024 /nfs/dbraw/zinc/76/20/24/342762024.db2.gz YZTXFXXGWSOOIE-UHFFFAOYSA-N 2 0 238.375 1.772 10 0 BDAERP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631838657 398285435 /nfs/dbraw/zinc/28/54/35/398285435.db2.gz SKNUIMHOZGJYME-AAEUAGOBSA-N 2 0 234.343 1.722 10 0 BDAERP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000042237405 538977054 /nfs/dbraw/zinc/97/70/54/538977054.db2.gz JVHJSHRWYPBGTE-UONOGXRCSA-N 2 0 240.391 1.754 10 0 BDAERP CCN1C[C@@H](C)[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948199 538981895 /nfs/dbraw/zinc/98/18/95/538981895.db2.gz RVHQSAAZNXSOJS-HBIQZDMRSA-N 2 0 212.337 1.094 10 0 BDAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCCSCC1 ZINC000228595332 398325037 /nfs/dbraw/zinc/32/50/37/398325037.db2.gz SXFQBZGVQPHRCJ-UWVGGRQHSA-N 2 0 202.367 1.409 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000235518991 343048036 /nfs/dbraw/zinc/04/80/36/343048036.db2.gz DJZAFYHVWXYSLD-RYUDHWBXSA-N 2 0 226.364 1.391 10 0 BDAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(C)(C)O ZINC000400425216 529651272 /nfs/dbraw/zinc/65/12/72/529651272.db2.gz YHKLFGGSOGHYAA-DCAQKATOSA-N 2 0 214.353 1.124 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@H]1C[NH+]1CCSCC1 ZINC000306669298 362031675 /nfs/dbraw/zinc/03/16/75/362031675.db2.gz GMYRMMDKVKGWTJ-QWRGUYRKSA-N 2 0 214.378 1.423 10 0 BDAERP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000562957168 323035139 /nfs/dbraw/zinc/03/51/39/323035139.db2.gz SHZHLUBXNCDHKN-UHTWSYAYSA-N 2 0 226.364 1.125 10 0 BDAERP CC[C@H](C)[N@H+](C)CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400393080 529690625 /nfs/dbraw/zinc/69/06/25/529690625.db2.gz NTKNEXPYMQGAAT-XQQFMLRXSA-N 2 0 227.396 1.304 10 0 BDAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C[Si](C)(C)C ZINC000401837785 343733617 /nfs/dbraw/zinc/73/36/17/343733617.db2.gz FSRRWKNZONWOPL-VHSXEESVSA-N 2 0 200.402 1.675 10 0 BDAERP FCCC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000409426660 343798444 /nfs/dbraw/zinc/79/84/44/343798444.db2.gz IKHPMJVUUPEYBT-UHFFFAOYSA-N 2 0 214.328 1.810 10 0 BDAERP CCOC[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409430207 343807728 /nfs/dbraw/zinc/80/77/28/343807728.db2.gz QBPHIXUSFSQTRL-GFCCVEGCSA-N 2 0 226.364 1.487 10 0 BDAERP C[C@H]1C[C@H](N)C[N@H+](C[Si](C)(C)C)C1 ZINC000401868957 343917097 /nfs/dbraw/zinc/91/70/97/343917097.db2.gz VBSWPIJILSGIHJ-UWVGGRQHSA-N 2 0 200.402 1.533 10 0 BDAERP C[C@@H]1CC[NH2+][C@H](C2(F)CC[NH2+]CC2)C1 ZINC000158109207 344543890 /nfs/dbraw/zinc/54/38/90/344543890.db2.gz FXEXZCBRFSUENT-ZJUUUORDSA-N 2 0 200.301 1.466 10 0 BDAERP CC(C)(CO)CC[NH2+]C1CCC([NH3+])CC1 ZINC000385746085 345042053 /nfs/dbraw/zinc/04/20/53/345042053.db2.gz CKBWCAUSNJUWAC-UHFFFAOYSA-N 2 0 214.353 1.255 10 0 BDAERP COCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000634999507 345200573 /nfs/dbraw/zinc/20/05/73/345200573.db2.gz VPFLZGYKTDLLKJ-MNOVXSKESA-N 2 0 238.331 1.453 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400748330 345727438 /nfs/dbraw/zinc/72/74/38/345727438.db2.gz UZFHLXSNXULGDQ-YUTCNCBUSA-N 2 0 240.391 1.515 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2nccnc2Cl)CC1 ZINC000257351028 345773729 /nfs/dbraw/zinc/77/37/29/345773729.db2.gz BSIBJKWSUJNKRV-KYZUINATSA-N 2 0 240.738 1.490 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2nccs2)CC1 ZINC000257352749 345774396 /nfs/dbraw/zinc/77/43/96/345774396.db2.gz NFDSTRZZFARERH-KYZUINATSA-N 2 0 239.344 1.185 10 0 BDAERP CC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000192604558 346093003 /nfs/dbraw/zinc/09/30/03/346093003.db2.gz AAKHIQLCAQPMSZ-ZDUSSCGKSA-N 2 0 249.358 1.283 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2cncc(C[NH3+])c2)C1 ZINC000669379141 537975995 /nfs/dbraw/zinc/97/59/95/537975995.db2.gz UFJIJZHNIIKZLV-LLVKDONJSA-N 2 0 219.332 1.772 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000571157287 323136966 /nfs/dbraw/zinc/13/69/66/323136966.db2.gz 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UWXNXQPOKVSXDW-VIFPVBQESA-N 2 0 202.660 1.828 10 0 BDAERP CCc1nc(C)cc(N[C@H](C)CCCC[NH3+])n1 ZINC000336722933 351234228 /nfs/dbraw/zinc/23/42/28/351234228.db2.gz TXWZFWAIPIJYIV-SNVBAGLBSA-N 2 0 236.363 1.699 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cccc(F)c1Br ZINC000306869990 351259295 /nfs/dbraw/zinc/25/92/95/351259295.db2.gz UQUCHIXLFVMCRJ-MRVPVSSYSA-N 2 0 247.111 1.937 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000306887573 351294440 /nfs/dbraw/zinc/29/44/40/351294440.db2.gz QTVMOHWAHAPHLY-SECBINFHSA-N 2 0 202.660 1.828 10 0 BDAERP CCCN1CC[C@H](NC2=[NH+]CCS2)C1 ZINC000306878456 351272063 /nfs/dbraw/zinc/27/20/63/351272063.db2.gz IOPJVEPVFJDBAV-VIFPVBQESA-N 2 0 213.350 1.163 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC000306979113 351397236 /nfs/dbraw/zinc/39/72/36/351397236.db2.gz ORMROXDLRJQRDM-LOPNNAOWSA-N 2 0 200.713 1.408 10 0 BDAERP C[N@H+](C1CSC1)[C@H]1CCC[NH2+]CC1 ZINC000307092025 351473500 /nfs/dbraw/zinc/47/35/00/351473500.db2.gz RMZLTJLQJVJFPO-VIFPVBQESA-N 2 0 200.351 1.176 10 0 BDAERP CS[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000307232741 351687769 /nfs/dbraw/zinc/68/77/69/351687769.db2.gz DQXNRFBMLKMPRB-JTQLQIEISA-N 2 0 200.351 1.176 10 0 BDAERP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CSC1 ZINC000307296364 351906052 /nfs/dbraw/zinc/90/60/52/351906052.db2.gz QSAJMHOYONZMBX-SCZZXKLOSA-N 2 0 200.351 1.032 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cncc(Br)c1 ZINC000307343218 352090038 /nfs/dbraw/zinc/09/00/38/352090038.db2.gz LHTHHDQSYZDRBK-QMMMGPOBSA-N 2 0 230.109 1.193 10 0 BDAERP COC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250363738 363116786 /nfs/dbraw/zinc/11/67/86/363116786.db2.gz HYFRLDBVZDXQQU-VXGBXAGGSA-N 2 0 240.347 1.014 10 0 BDAERP COC(C)(C)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000300937860 363169191 /nfs/dbraw/zinc/16/91/91/363169191.db2.gz GCNCHFPLUAJCPV-SECBINFHSA-N 2 0 200.326 1.223 10 0 BDAERP [NH3+][C@@H]1CC12CCC([NH+]1CCC(CO)CC1)CC2 ZINC000725270888 538102651 /nfs/dbraw/zinc/10/26/51/538102651.db2.gz UEOWZWKBKKUDDB-ROKHWSDSSA-N 2 0 238.375 1.351 10 0 BDAERP Cc1[nH+]ccc(N(C)C[C@@H](C)[NH3+])c1Cl ZINC000307535985 352640145 /nfs/dbraw/zinc/64/01/45/352640145.db2.gz KLGAMCMQIININH-SSDOTTSWSA-N 2 0 213.712 1.827 10 0 BDAERP CC[N@H+](CC(C)C)C1CCN(CC[NH3+])CC1 ZINC000725273794 538104772 /nfs/dbraw/zinc/10/47/72/538104772.db2.gz HEKBLRMHDZKROD-UHFFFAOYSA-N 2 0 227.396 1.387 10 0 BDAERP C[C@@H]1C[C@H](NC(N)=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC000307693608 352964855 /nfs/dbraw/zinc/96/48/55/352964855.db2.gz XHWQSATTWAFOOF-PWSUYJOCSA-N 2 0 232.331 1.132 10 0 BDAERP CC(C)C[C@@H](C[NH3+])N1CCOC[C@H]1C ZINC000035774512 188103708 /nfs/dbraw/zinc/10/37/08/188103708.db2.gz WLDCWXKZCOYPCS-MNOVXSKESA-N 2 0 200.326 1.081 10 0 BDAERP CC(C)C[C@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000036232174 188104290 /nfs/dbraw/zinc/10/42/90/188104290.db2.gz ALSSVABJHUPJOD-LLVKDONJSA-N 2 0 214.353 1.471 10 0 BDAERP CC(C)[NH+](CCN1CC[C@@H](C[NH3+])C1)C(C)C ZINC000019478555 188107663 /nfs/dbraw/zinc/10/76/63/188107663.db2.gz RIUZJQKTCYAQPD-ZDUSSCGKSA-N 2 0 227.396 1.386 10 0 BDAERP CC(C)[NH+]1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000036170606 188112346 /nfs/dbraw/zinc/11/23/46/188112346.db2.gz GAPZAOFEXDKDHC-UHFFFAOYSA-N 2 0 247.386 1.671 10 0 BDAERP C1C[NH2+][C@@H]([C@H]2CCC[N@@H+](C3CCOCC3)C2)C1 ZINC000037916573 188115239 /nfs/dbraw/zinc/11/52/39/188115239.db2.gz PBTCLTWLCMQYDC-GXTWGEPZSA-N 2 0 238.375 1.629 10 0 BDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CCCCC[NH3+] ZINC000049220667 188124222 /nfs/dbraw/zinc/12/42/22/188124222.db2.gz LJDGWKSNOAXKHI-LBPRGKRZSA-N 2 0 243.395 1.208 10 0 BDAERP C(C[C@@H]1CCC[NH2+]1)C[NH+]1CCN(C2CC2)CC1 ZINC000052764443 188126169 /nfs/dbraw/zinc/12/61/69/188126169.db2.gz HOSYVARVMJYRBB-ZDUSSCGKSA-N 2 0 237.391 1.299 10 0 BDAERP C[NH2+]Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000052443264 188126357 /nfs/dbraw/zinc/12/63/57/188126357.db2.gz WIMWHNRESFLBIL-UHFFFAOYSA-N 2 0 236.384 1.955 10 0 BDAERP CCCC[N@@H+]1CC[C@@H](CCN2CC[NH2+]CC2)C1 ZINC000077385055 188136394 /nfs/dbraw/zinc/13/63/94/188136394.db2.gz JAMJMWFPJCHDFH-CQSZACIVSA-N 2 0 239.407 1.404 10 0 BDAERP CC(C)[NH+](CCNCC[NH+](C)C)C(C)C ZINC000020039356 188175282 /nfs/dbraw/zinc/17/52/82/188175282.db2.gz XDVDNMZCWNTZNY-UHFFFAOYSA-N 2 0 215.385 1.256 10 0 BDAERP CC(C)=CCNC(=[NH2+])NCCCCC[NH3+] ZINC000034061920 188182415 /nfs/dbraw/zinc/18/24/15/188182415.db2.gz VRMFKTMYYBSTQS-UHFFFAOYSA-N 2 0 212.341 1.196 10 0 BDAERP C[C@H](CCCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000582175388 355577430 /nfs/dbraw/zinc/57/74/30/355577430.db2.gz CURQQHGGNRPGRM-JHJVBQTASA-N 2 0 228.380 1.373 10 0 BDAERP C[C@H]1CSCC[N@@H+]1CC1(C[NH3+])CCC1 ZINC000168550310 356116611 /nfs/dbraw/zinc/11/66/11/356116611.db2.gz ICTNEFRYIOQLAD-JTQLQIEISA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]1COC[C@H](C)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420296786 192205835 /nfs/dbraw/zinc/20/58/35/192205835.db2.gz DWUOIMBEPWCZML-GRYCIOLGSA-N 2 0 212.337 1.095 10 0 BDAERP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000675060020 538484923 /nfs/dbraw/zinc/48/49/23/538484923.db2.gz ZOMKCXCEZQCAII-RVMXOQNASA-N 2 0 226.364 1.613 10 0 BDAERP [NH3+][C@@H]1C=C(c2cscc2Cl)CNC1 ZINC000675078548 538515957 /nfs/dbraw/zinc/51/59/57/538515957.db2.gz QPWGJFJKQXITLR-SSDOTTSWSA-N 2 0 214.721 1.715 10 0 BDAERP CCOC[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000389568225 356992513 /nfs/dbraw/zinc/99/25/13/356992513.db2.gz ASIJJRDFRXWWHR-GRYCIOLGSA-N 2 0 214.353 1.328 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH2+]CC1 ZINC000389708102 357017941 /nfs/dbraw/zinc/01/79/41/357017941.db2.gz LKISYAXERJLSAG-LLVKDONJSA-N 2 0 213.369 1.057 10 0 BDAERP COCc1ccc([C@H](C[NH3+])CC[NH3+])cc1 ZINC000685948876 538891912 /nfs/dbraw/zinc/89/19/12/538891912.db2.gz UZTZUZQLZBXHMR-LBPRGKRZSA-N 2 0 208.305 1.224 10 0 BDAERP CCOC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(C)C ZINC000233750120 357743759 /nfs/dbraw/zinc/74/37/59/357743759.db2.gz GPJWIWIEMHKMDJ-CHWSQXEVSA-N 2 0 228.380 1.779 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@@H+]1C ZINC000303392603 491114944 /nfs/dbraw/zinc/11/49/44/491114944.db2.gz CVOBEPYWGUCVMW-IJLUTSLNSA-N 2 0 228.380 1.466 10 0 BDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C)o1 ZINC000234750254 357834342 /nfs/dbraw/zinc/83/43/42/357834342.db2.gz JGINEWINQCGPLN-VXGBXAGGSA-N 2 0 240.347 1.993 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403495 358967838 /nfs/dbraw/zinc/96/78/38/358967838.db2.gz QDEIUFYHRSZXSI-QJPTWQEYSA-N 2 0 214.353 1.253 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000086403499 358967896 /nfs/dbraw/zinc/96/78/96/358967896.db2.gz QDEIUFYHRSZXSI-SDDRHHMPSA-N 2 0 214.353 1.253 10 0 BDAERP C[C@@H]1SCC[C@H]1[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000300351525 358970868 /nfs/dbraw/zinc/97/08/68/358970868.db2.gz BESFMCGULWDRIF-IVZWLZJFSA-N 2 0 200.351 1.161 10 0 BDAERP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000300390109 358987823 /nfs/dbraw/zinc/98/78/23/358987823.db2.gz RDKWSXCYWIIKCR-VPOLOUISSA-N 2 0 214.378 1.740 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CSC[C@H]2C)C[C@@H]1[NH3+] ZINC000306191971 359019558 /nfs/dbraw/zinc/01/95/58/359019558.db2.gz PUGSWBZRHQSBHM-DOLQZWNJSA-N 2 0 200.351 1.017 10 0 BDAERP C[NH2+]C1CC[NH+]([C@H]2CCS[C@H]2C)CC1 ZINC000306330926 359632431 /nfs/dbraw/zinc/63/24/31/359632431.db2.gz FFMMJIXNRYCQJL-ONGXEEELSA-N 2 0 214.378 1.564 10 0 BDAERP CNC(=[NH2+])N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000306395371 359760535 /nfs/dbraw/zinc/76/05/35/359760535.db2.gz JKGJRRSDMLPART-DGCLKSJQSA-N 2 0 246.358 1.393 10 0 BDAERP CCn1ccc([C@@H]2[NH2+]CC23CC[NH2+]CC3)c1 ZINC000536960471 360013987 /nfs/dbraw/zinc/01/39/87/360013987.db2.gz QJQHGHSGBANQPV-LBPRGKRZSA-N 2 0 219.332 1.522 10 0 BDAERP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491762 360251311 /nfs/dbraw/zinc/25/13/11/360251311.db2.gz VAPPPIZMCHURJU-RFQIPJPRSA-N 2 0 240.391 1.658 10 0 BDAERP C[C@@H]1CS[C@@](C)(C2CC[NH2+]CC2)[NH2+]1 ZINC000306583970 360483925 /nfs/dbraw/zinc/48/39/25/360483925.db2.gz RKPDKGIEYJSUPA-SCZZXKLOSA-N 2 0 200.351 1.427 10 0 BDAERP CC[C@](C)([C@H](C)[NH3+])[N@@H+]1CCSC[C@H]1C ZINC000306602765 360528859 /nfs/dbraw/zinc/52/88/59/360528859.db2.gz WJHPXLCMENZPCW-OUAUKWLOSA-N 2 0 216.394 1.940 10 0 BDAERP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000579342241 366761577 /nfs/dbraw/zinc/76/15/77/366761577.db2.gz ZDWBVOHAUYWEEP-BFHYXJOUSA-N 2 0 240.391 1.781 10 0 BDAERP C[C@H]([NH2+]Cc1ccc[nH]c1=O)[C@@H]1CCC[NH2+]C1 ZINC000629544576 361423480 /nfs/dbraw/zinc/42/34/80/361423480.db2.gz JKKCUELZCYANEG-WDEREUQCSA-N 2 0 235.331 1.265 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000629550540 361443108 /nfs/dbraw/zinc/44/31/08/361443108.db2.gz ZCDHDJWSMSSQET-RYDUCSDGSA-N 2 0 224.348 1.142 10 0 BDAERP [NH3+]C12CC3C4CC5([NH3+])CC3C(C1)C(C5)C4C2 ZINC000001656725 181336967 /nfs/dbraw/zinc/33/69/67/181336967.db2.gz OQFGCBHYTPVGEY-UHFFFAOYSA-N 2 0 218.344 1.487 10 0 BDAERP C1=C(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)COCC1 ZINC000629648299 361540403 /nfs/dbraw/zinc/54/04/03/361540403.db2.gz RLUSERWQOJKPNF-FUNVUKJBSA-N 2 0 222.332 1.206 10 0 BDAERP [NH3+]C1CCC([NH2+]CC(=O)c2cccs2)CC1 ZINC000095072133 181341121 /nfs/dbraw/zinc/34/11/21/181341121.db2.gz SGLJTTMBSZYKFG-UHFFFAOYSA-N 2 0 238.356 1.790 10 0 BDAERP [NH3+]C1CCC(OCC[NH+]2CCCCC2)CC1 ZINC000055142816 181342494 /nfs/dbraw/zinc/34/24/94/181342494.db2.gz SXZWHAMVECDDFO-UHFFFAOYSA-N 2 0 226.364 1.759 10 0 BDAERP [NH3+]C1CCC([NH2+]Cc2nccnc2Cl)CC1 ZINC000095072139 181342057 /nfs/dbraw/zinc/34/20/57/181342057.db2.gz BSIBJKWSUJNKRV-UHFFFAOYSA-N 2 0 240.738 1.490 10 0 BDAERP CO[C@@H]1CN(Cc2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630359664 364079121 /nfs/dbraw/zinc/07/91/21/364079121.db2.gz DHYBNUQUHXBHBD-STQMWFEESA-N 2 0 235.331 1.020 10 0 BDAERP CO[C@H]1C[N@H+](CC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630364728 364083381 /nfs/dbraw/zinc/08/33/81/364083381.db2.gz SIXDZFRNQORNAV-CHWSQXEVSA-N 2 0 226.364 1.615 10 0 BDAERP C[NH2+]CCOCCN(C)c1cc[nH+]cc1C ZINC000630529490 364217259 /nfs/dbraw/zinc/21/72/59/364217259.db2.gz YJUZFRIXAGBRBP-UHFFFAOYSA-N 2 0 223.320 1.062 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCCC[C@H]2CO)CCCC1 ZINC000051256740 181358482 /nfs/dbraw/zinc/35/84/82/181358482.db2.gz TZRTZRWBGWLNSW-LBPRGKRZSA-N 2 0 226.364 1.352 10 0 BDAERP [NH3+]CC1(C[NH+]2CCC(CO)CC2)CCCC1 ZINC000051205937 181358742 /nfs/dbraw/zinc/35/87/42/181358742.db2.gz HYCHXOVBWYXDIY-UHFFFAOYSA-N 2 0 226.364 1.210 10 0 BDAERP [NH3+]CC1(N2CC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC000062978513 181360580 /nfs/dbraw/zinc/36/05/80/181360580.db2.gz KMSLCFHFAMKMFE-ZDUSSCGKSA-N 2 0 237.391 1.428 10 0 BDAERP CCc1nc(C)cc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630569961 364265747 /nfs/dbraw/zinc/26/57/47/364265747.db2.gz LFUXLFNZHUTKTN-GXSJLCMTSA-N 2 0 234.347 1.378 10 0 BDAERP Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)cc[nH+]1 ZINC000630533422 364226295 /nfs/dbraw/zinc/22/62/95/364226295.db2.gz PKDUCUZTMFEWGO-CABZTGNLSA-N 2 0 205.305 1.364 10 0 BDAERP C[C@@H]([NH2+]CC[C@H](C)F)[C@H]1CCC[NH2+]C1 ZINC000573830809 364926365 /nfs/dbraw/zinc/92/63/65/364926365.db2.gz CIBMVDYSMZREAX-AXFHLTTASA-N 2 0 202.317 1.712 10 0 BDAERP CC(C)(C)c1cn2c([nH+]1)N[C@@H](C[NH3+])CC2 ZINC000232521416 541505150 /nfs/dbraw/zinc/50/51/50/541505150.db2.gz ZNYUUOXGRPYDDV-MRVPVSSYSA-N 2 0 208.309 1.324 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C[NH3+] ZINC000631836572 369077745 /nfs/dbraw/zinc/07/77/45/369077745.db2.gz BRMDMPLBFBSPFJ-POQQGIQPSA-N 2 0 222.376 1.949 10 0 BDAERP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000042825294 181482193 /nfs/dbraw/zinc/48/21/93/181482193.db2.gz IZLOXYIDGKEDDE-CQSZACIVSA-N 2 0 234.343 1.804 10 0 BDAERP C[C@@H]1SCC[N@H+](CC(C)(C)C[NH3+])[C@H]1C ZINC000132516681 371847046 /nfs/dbraw/zinc/84/70/46/371847046.db2.gz IMUVDYHGCWHFGV-UWVGGRQHSA-N 2 0 216.394 1.797 10 0 BDAERP CO[C@@]1(C)CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000230270893 371880184 /nfs/dbraw/zinc/88/01/84/371880184.db2.gz DFFSWTFVAMZSRZ-NSHDSACASA-N 2 0 200.326 1.225 10 0 BDAERP C[C@H](C[NH3+])C[N@@H+]1CCSC(C)(C)C1 ZINC000133276483 372017639 /nfs/dbraw/zinc/01/76/39/372017639.db2.gz FEWVIRLUUBVGRT-SECBINFHSA-N 2 0 202.367 1.409 10 0 BDAERP [NH3+]C1CC(N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000133422159 372045739 /nfs/dbraw/zinc/04/57/39/372045739.db2.gz URMYZPGEIBQNGS-UHFFFAOYSA-N 2 0 245.370 1.294 10 0 BDAERP C([C@H]1CSCCS1)N1CCC[NH2+]CC1 ZINC000229652286 372177327 /nfs/dbraw/zinc/17/73/27/372177327.db2.gz SSZKAYMTGOLEAW-JTQLQIEISA-N 2 0 232.418 1.130 10 0 BDAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631837335 372627676 /nfs/dbraw/zinc/62/76/76/372627676.db2.gz RBPUEPRHFAUDMV-GWCFXTLKSA-N 2 0 219.332 1.417 10 0 BDAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000631837515 372628018 /nfs/dbraw/zinc/62/80/18/372628018.db2.gz CEWDDEQFVRYMPW-RYUDHWBXSA-N 2 0 219.332 1.417 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000631837793 372629153 /nfs/dbraw/zinc/62/91/53/372629153.db2.gz WYEZSTRLFDTPHY-VWYCJHECSA-N 2 0 232.318 1.948 10 0 BDAERP Cc1cccnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837907 372629599 /nfs/dbraw/zinc/62/95/99/372629599.db2.gz GWVZTWXXGJBIBZ-VXGBXAGGSA-N 2 0 219.332 1.417 10 0 BDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000178518383 206008907 /nfs/dbraw/zinc/00/89/07/206008907.db2.gz UYMHRISADMEZFX-JSGCOSHPSA-N 2 0 240.391 1.611 10 0 BDAERP CCCC[C@H]([NH3+])CN1CCC(C[NH+](C)C)CC1 ZINC000042388777 169009133 /nfs/dbraw/zinc/00/91/33/169009133.db2.gz SCJXYVMHNJKDKN-AWEZNQCLSA-N 2 0 241.423 1.778 10 0 BDAERP O[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096964632 183241295 /nfs/dbraw/zinc/24/12/95/183241295.db2.gz AIBVRLNMXJWLIX-LSDHHAIUSA-N 2 0 246.354 1.233 10 0 BDAERP CCC[NH+]1CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157877 169205243 /nfs/dbraw/zinc/20/52/43/169205243.db2.gz HLDHSCJGRDNIPD-OLZOCXBDSA-N 2 0 225.380 1.141 10 0 BDAERP CCC[NH+]1CCC(N2CCC[NH2+]CCC2)CC1 ZINC000049667955 169186316 /nfs/dbraw/zinc/18/63/16/169186316.db2.gz JSPVSGDFVNAJQZ-UHFFFAOYSA-N 2 0 239.407 1.546 10 0 BDAERP CCC[NH+]1CCC(NC2=[NH+][C@H](C)CS2)CC1 ZINC000049559147 169188037 /nfs/dbraw/zinc/18/80/37/169188037.db2.gz DAISJRQGGOHKCL-SNVBAGLBSA-N 2 0 241.404 1.942 10 0 BDAERP CCC[NH+]1CCC(NC2=[NH+]CCCS2)CC1 ZINC000049559139 169188386 /nfs/dbraw/zinc/18/83/86/169188386.db2.gz MEDRXYFTSRHPCA-UHFFFAOYSA-N 2 0 241.404 1.943 10 0 BDAERP CCC[NH+]1CCN([C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052421749 169202619 /nfs/dbraw/zinc/20/26/19/169202619.db2.gz ZNRVHVDEOAZNGL-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH+]1CCN(C[C@@H](C)[NH2+]CC)CC1 ZINC000044471613 169203579 /nfs/dbraw/zinc/20/35/79/169203579.db2.gz GNXQSVYFTTZXDA-GFCCVEGCSA-N 2 0 213.369 1.012 10 0 BDAERP CCC[NH+]1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000019405914 169203852 /nfs/dbraw/zinc/20/38/52/169203852.db2.gz QFEWKKWUCUACPO-QWHCGFSZSA-N 2 0 225.380 1.284 10 0 BDAERP c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000041301114 183367578 /nfs/dbraw/zinc/36/75/78/183367578.db2.gz UKHUSRSAJLCZNH-LBPRGKRZSA-N 2 0 248.326 1.505 10 0 BDAERP c1cc[n+](Cc2cc[n+]3ccccc3c2)cc1 ZINC000095933426 183378751 /nfs/dbraw/zinc/37/87/51/183378751.db2.gz QDWIPIFYLYCTPO-UHFFFAOYSA-N 2 0 222.291 1.761 10 0 BDAERP CCC[NH2+][C@H](C)[C@H](C)N1CC[NH+](CCC)CC1 ZINC000043805686 169286155 /nfs/dbraw/zinc/28/61/55/169286155.db2.gz FRGOUORTRKZJSX-KGLIPLIRSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]Cc1occc1C[N@H+](C)CCOC ZINC000052572831 169268991 /nfs/dbraw/zinc/26/89/91/169268991.db2.gz UBUQKNMBTXISAV-UHFFFAOYSA-N 2 0 240.347 1.857 10 0 BDAERP CCC[NH2+][C@@H](C)[C@H](C)N1CC[NH+](CCC)CC1 ZINC000043805685 169275766 /nfs/dbraw/zinc/27/57/66/169275766.db2.gz FRGOUORTRKZJSX-KBPBESRZSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[C@@H](CN(C)[C@@H]1CCC[N@H+](C)C1)[NH2+]CC ZINC000053244759 169382779 /nfs/dbraw/zinc/38/27/79/169382779.db2.gz FIBFEIAETJSOKY-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[C@](C)(C[NH3+])N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978308 169543865 /nfs/dbraw/zinc/54/38/65/169543865.db2.gz VTUCTPRYAZNXPI-UONOGXRCSA-N 2 0 241.423 1.920 10 0 BDAERP CCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226858806 134370514 /nfs/dbraw/zinc/37/05/14/134370514.db2.gz GLCFWIMRYMAVHS-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP CCOCC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036908718 383921832 /nfs/dbraw/zinc/92/18/32/383921832.db2.gz BOMXMNITEGNHQL-SRVKXCTJSA-N 2 0 214.353 1.341 10 0 BDAERP [NH3+]C[C@@H](Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000068591420 384002642 /nfs/dbraw/zinc/00/26/42/384002642.db2.gz FFUZHDFZMPBBAF-CYBMUJFWSA-N 2 0 236.334 1.943 10 0 BDAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)(C)O ZINC000564823376 384657888 /nfs/dbraw/zinc/65/78/88/384657888.db2.gz OWFHKBLJBACOTL-TUAOUCFPSA-N 2 0 228.380 1.514 10 0 BDAERP C[C@H]([NH2+]CCOC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564824702 384681795 /nfs/dbraw/zinc/68/17/95/384681795.db2.gz PUGUPOBOHVZACN-QWHCGFSZSA-N 2 0 240.391 1.923 10 0 BDAERP C[NH2+]CCCNc1cc(NC2CC2)ncn1 ZINC000258601209 384936985 /nfs/dbraw/zinc/93/69/85/384936985.db2.gz HNDJVXFRBRLAPX-UHFFFAOYSA-N 2 0 221.308 1.072 10 0 BDAERP Fc1ccc(F)c(CCN[C@H]2CC[NH2+]C2)c1 ZINC000259193070 384964275 /nfs/dbraw/zinc/96/42/75/384964275.db2.gz WPIWRZGSUREEFJ-NSHDSACASA-N 2 0 226.270 1.459 10 0 BDAERP COC[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000397254888 385415812 /nfs/dbraw/zinc/41/58/12/385415812.db2.gz QQLGEFZSLOLMNT-SRVKXCTJSA-N 2 0 212.337 1.128 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CCSC2)CCC[NH2+]1 ZINC000258090283 385541577 /nfs/dbraw/zinc/54/15/77/385541577.db2.gz KFJLVRPQAFXIBD-ZJUUUORDSA-N 2 0 200.351 1.176 10 0 BDAERP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000309461282 385596934 /nfs/dbraw/zinc/59/69/34/385596934.db2.gz RUAXIAVACHTWDB-FRRDWIJNSA-N 2 0 226.364 1.079 10 0 BDAERP CO[C@@H](C)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000182183266 385642026 /nfs/dbraw/zinc/64/20/26/385642026.db2.gz QCJBXJXAGBBHFX-QWHCGFSZSA-N 2 0 249.358 1.850 10 0 BDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)C[NH+](C)C ZINC000336689877 385719031 /nfs/dbraw/zinc/71/90/31/385719031.db2.gz MHEYRQIYIZATLX-GRYCIOLGSA-N 2 0 214.353 1.199 10 0 BDAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000336770768 386029242 /nfs/dbraw/zinc/02/92/42/386029242.db2.gz WYSGYFZTOPMMJR-KVSVUVNWSA-N 2 0 208.349 1.857 10 0 BDAERP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)C(C)(C)O ZINC000394004915 386031392 /nfs/dbraw/zinc/03/13/92/386031392.db2.gz OIEKAJCHRLKVEO-VQXHTEKXSA-N 2 0 214.353 1.395 10 0 BDAERP CCSCC[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336643680 386582066 /nfs/dbraw/zinc/58/20/66/386582066.db2.gz BBRGTIVWVRHERF-LBPRGKRZSA-N 2 0 246.420 1.176 10 0 BDAERP c1ccc(NC[C@@H]2CN(C3CC3)CCO2)nc1 ZINC000066745950 386705850 /nfs/dbraw/zinc/70/58/50/386705850.db2.gz OBLQQPCKFUAISP-GFCCVEGCSA-N 2 0 233.315 1.357 10 0 BDAERP CO[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000308397035 386927867 /nfs/dbraw/zinc/92/78/67/386927867.db2.gz RBNMBEXQTHNVTM-TUUUFIMRSA-N 2 0 238.375 1.804 10 0 BDAERP CC1(C)CC[N@@H+]1C[C@@H]1C[NH2+]CCS1 ZINC000575582229 387057967 /nfs/dbraw/zinc/05/79/67/387057967.db2.gz DAESIDARISYFRW-VIFPVBQESA-N 2 0 200.351 1.176 10 0 BDAERP COc1ccc([C@@H]([NH3+])CCC[NH3+])c(F)c1 ZINC000575439547 387123406 /nfs/dbraw/zinc/12/34/06/387123406.db2.gz GPHGNDCCZMLKEL-NSHDSACASA-N 2 0 212.268 1.573 10 0 BDAERP CC(C)n1cc([C@@H]2[NH2+]CC23CC[NH2+]CC3)cn1 ZINC000536957067 387170586 /nfs/dbraw/zinc/17/05/86/387170586.db2.gz BASUOQSUHZOQGG-LBPRGKRZSA-N 2 0 234.347 1.478 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000120260192 387178709 /nfs/dbraw/zinc/17/87/09/387178709.db2.gz YMSOLVLADSQKEY-FDYHWXHSSA-N 2 0 224.348 1.380 10 0 BDAERP CC[C@H](C)[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643464300 387361102 /nfs/dbraw/zinc/36/11/02/387361102.db2.gz UOJSQUIPFZRCNF-BFHYXJOUSA-N 2 0 241.423 1.694 10 0 BDAERP CC[NH+](CC)CCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000515516617 387385451 /nfs/dbraw/zinc/38/54/51/387385451.db2.gz AHOUOTHZMUSMAG-KBPBESRZSA-N 2 0 241.423 1.696 10 0 BDAERP CS[C@@H]1CC[C@H]1N1CCC[C@@H]([NH3+])C1 ZINC000575545851 387630822 /nfs/dbraw/zinc/63/08/22/387630822.db2.gz QXNYRCCBVLDIKI-OPRDCNLKSA-N 2 0 200.351 1.304 10 0 BDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C1CSC1 ZINC000575546886 387634899 /nfs/dbraw/zinc/63/48/99/387634899.db2.gz WDJVCGYPVDDTAL-SECBINFHSA-N 2 0 200.351 1.080 10 0 BDAERP CC1(C)C[C@@H]([NH2+]C2CSC2)CC[NH2+]1 ZINC000575549277 387648106 /nfs/dbraw/zinc/64/81/06/387648106.db2.gz JXLZARFOWNAYAH-QMMMGPOBSA-N 2 0 200.351 1.222 10 0 BDAERP CS[C@H]1CC[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000575567218 387736291 /nfs/dbraw/zinc/73/62/91/387736291.db2.gz YRYHOBLVIAWDAM-ZJUUUORDSA-N 2 0 200.351 1.304 10 0 BDAERP c1ccc(CCCCN[C@@H]2CC[NH2+]C2)cc1 ZINC000643458376 387826204 /nfs/dbraw/zinc/82/62/04/387826204.db2.gz SYBRLYNSDQDJSU-CQSZACIVSA-N 2 0 218.344 1.961 10 0 BDAERP FC(F)(F)CSCC[NH2+]C1CC[NH2+]CC1 ZINC000423014387 387839011 /nfs/dbraw/zinc/83/90/11/387839011.db2.gz IHMXCQJCXWEBNP-UHFFFAOYSA-N 2 0 242.310 1.624 10 0 BDAERP CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCC[NH2+]CC2)C1 ZINC000422970540 387818283 /nfs/dbraw/zinc/81/82/83/387818283.db2.gz GQUNWLWCSYYIGC-UONOGXRCSA-N 2 0 239.407 1.450 10 0 BDAERP CC[NH+](CC)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245624758 387968446 /nfs/dbraw/zinc/96/84/46/387968446.db2.gz OPORHNWTCAUFJS-ZDUSSCGKSA-N 2 0 225.380 1.108 10 0 BDAERP CC(C)[C@H](CO)C[NH2+]C1CCC([NH3+])CC1 ZINC000394041591 388450219 /nfs/dbraw/zinc/45/02/19/388450219.db2.gz KPBRJLUHZJJPSJ-UNXYVOJBSA-N 2 0 214.353 1.110 10 0 BDAERP CCCCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000573082346 388418415 /nfs/dbraw/zinc/41/84/15/388418415.db2.gz RUMHNZWUZDGMAN-STQMWFEESA-N 2 0 228.380 1.781 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CC[NH2+]C1 ZINC000307227389 388422028 /nfs/dbraw/zinc/42/20/28/388422028.db2.gz DLKPQKAYOJNJCX-GARJFASQSA-N 2 0 214.378 1.470 10 0 BDAERP CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000397637305 388485901 /nfs/dbraw/zinc/48/59/01/388485901.db2.gz XKRKLGFLFMQMLR-QWHCGFSZSA-N 2 0 242.407 1.979 10 0 BDAERP CC1(C)CC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000347411565 388523221 /nfs/dbraw/zinc/52/32/21/388523221.db2.gz AZGJOYJOHQKKSO-CYBMUJFWSA-N 2 0 240.391 1.611 10 0 BDAERP CC[NH+](CC)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089604 388986435 /nfs/dbraw/zinc/98/64/35/388986435.db2.gz VOOCMBUFWYKNQI-QWHCGFSZSA-N 2 0 227.396 1.306 10 0 BDAERP C[C@H]([NH2+][C@@H]1COCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000566088988 388986794 /nfs/dbraw/zinc/98/67/94/388986794.db2.gz XZEAJAATBPJTHD-SDDRHHMPSA-N 2 0 226.364 1.389 10 0 BDAERP [NH3+]Cc1cc(Cl)ccc1N1CC[NH2+]CC1 ZINC000052861003 132362750 /nfs/dbraw/zinc/36/27/50/132362750.db2.gz KCZASKBICHLGML-UHFFFAOYSA-N 2 0 225.723 1.208 10 0 BDAERP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400576499 533359675 /nfs/dbraw/zinc/35/96/75/533359675.db2.gz PEHCBNUAYGVQEI-VXGBXAGGSA-N 2 0 226.364 1.127 10 0 BDAERP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000335497780 533372272 /nfs/dbraw/zinc/37/22/72/533372272.db2.gz ZDLHTBXYWYHHDF-NEPJUHHUSA-N 2 0 208.349 1.908 10 0 BDAERP C[C@@H](C[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000011737176 132320471 /nfs/dbraw/zinc/32/04/71/132320471.db2.gz ZYMNGCSEIIOODU-ZDUSSCGKSA-N 2 0 233.359 1.403 10 0 BDAERP C[C@@H](CC[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019779178 132327301 /nfs/dbraw/zinc/32/73/01/132327301.db2.gz BMDOKHPWNMPYPE-ZDUSSCGKSA-N 2 0 233.359 1.546 10 0 BDAERP C[C@H]([NH3+])c1ccccc1N1CC[NH+](C)CC1 ZINC000019872032 132328588 /nfs/dbraw/zinc/32/85/88/132328588.db2.gz ULTIXSWUNGJBAA-NSHDSACASA-N 2 0 219.332 1.458 10 0 BDAERP C[C@H]([NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000044460611 132354136 /nfs/dbraw/zinc/35/41/36/132354136.db2.gz ZWNNKHIIQYBVMR-LBPRGKRZSA-N 2 0 233.359 1.328 10 0 BDAERP C[NH+](C)C1CCN(c2ccccc2CC[NH3+])CC1 ZINC000104278076 132436161 /nfs/dbraw/zinc/43/61/61/132436161.db2.gz KXXRAGFUFPSVHC-UHFFFAOYSA-N 2 0 247.386 1.718 10 0 BDAERP CC(C)C[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823317 135012619 /nfs/dbraw/zinc/01/26/19/135012619.db2.gz PMGVUMFEERJODY-CHWSQXEVSA-N 2 0 227.396 1.243 10 0 BDAERP OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250835469 135060144 /nfs/dbraw/zinc/06/01/44/135060144.db2.gz KRYRYTARVGMLCE-JHJVBQTASA-N 2 0 226.364 1.269 10 0 BDAERP CC[C@H](COC)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000251030733 135061957 /nfs/dbraw/zinc/06/19/57/135061957.db2.gz AFORADNUJQKUDK-HBNTYKKESA-N 2 0 200.326 1.128 10 0 BDAERP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251254682 135066930 /nfs/dbraw/zinc/06/69/30/135066930.db2.gz VAPPPIZMCHURJU-IGQOVBAYSA-N 2 0 240.391 1.658 10 0 BDAERP COC[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000251271589 135068186 /nfs/dbraw/zinc/06/81/86/135068186.db2.gz BXTGYDZMDGHJEQ-SRVKXCTJSA-N 2 0 214.353 1.374 10 0 BDAERP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)[C@H]1CCOC1 ZINC000252730158 135103812 /nfs/dbraw/zinc/10/38/12/135103812.db2.gz KATGBLLHJQNQQZ-WUHRBBMRSA-N 2 0 226.364 1.484 10 0 BDAERP CCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)CCOCC1 ZINC000261544977 135186009 /nfs/dbraw/zinc/18/60/09/135186009.db2.gz FLLJQPJDYLIEQN-OLZOCXBDSA-N 2 0 240.391 1.781 10 0 BDAERP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261592149 135232667 /nfs/dbraw/zinc/23/26/67/135232667.db2.gz YIVXVUDJKKKXEM-ZDUSSCGKSA-N 2 0 249.358 1.655 10 0 BDAERP C[C@]1(CN2CC[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929155 135263683 /nfs/dbraw/zinc/26/36/83/135263683.db2.gz CORDTRADEKJZMB-YPMHNXCESA-N 2 0 225.380 1.045 10 0 BDAERP CC(C)[N@@H+]1CC[C@](C[NH3+])(N2CCCCC2)C1 ZINC000045658405 167027467 /nfs/dbraw/zinc/02/74/67/167027467.db2.gz TUJVHFMVCOTKCI-CYBMUJFWSA-N 2 0 225.380 1.284 10 0 BDAERP CC(C)[NH2+]CCN(C)C1CC[NH+](C)CC1 ZINC000037477262 167102506 /nfs/dbraw/zinc/10/25/06/167102506.db2.gz JTDXTOKQQKDNMF-UHFFFAOYSA-N 2 0 213.369 1.010 10 0 BDAERP CC(C)OCC[N@@H+]1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000053656616 167232477 /nfs/dbraw/zinc/23/24/77/167232477.db2.gz WLZXDPMVWUHWDB-ZDUSSCGKSA-N 2 0 240.391 1.875 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000665235041 410726639 /nfs/dbraw/zinc/72/66/39/410726639.db2.gz ORUVVGVNUAVDLN-MCIGGMRASA-N 2 0 212.337 1.007 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000396424341 410881977 /nfs/dbraw/zinc/88/19/77/410881977.db2.gz CAAOZUIBEUOVDB-FPMFFAJLSA-N 2 0 239.407 1.434 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCN[C@@H]1C)C1CC[NH+](C)CC1 ZINC000396444683 410883677 /nfs/dbraw/zinc/88/36/77/410883677.db2.gz CMDXBIRJHVGXHJ-SCRDCRAPSA-N 2 0 239.407 1.447 10 0 BDAERP CC(C)N1CC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000104125215 167025919 /nfs/dbraw/zinc/02/59/19/167025919.db2.gz GOCCCCQNCNPYOY-OCCSQVGLSA-N 2 0 239.407 1.528 10 0 BDAERP CC(C)[N@H+]1CCc2nc(C[C@H](C)[NH3+])sc2C1 ZINC000054161022 167026794 /nfs/dbraw/zinc/02/67/94/167026794.db2.gz WVBYYHQOUOQVIE-VIFPVBQESA-N 2 0 239.388 1.799 10 0 BDAERP CC(C)[NH2+]CCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049221271 167099490 /nfs/dbraw/zinc/09/94/90/167099490.db2.gz VRGVQJQVTKVFEF-LBPRGKRZSA-N 2 0 243.395 1.077 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973540 167104074 /nfs/dbraw/zinc/10/40/74/167104074.db2.gz LQPCETCXHMGAQM-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP CC(C)[NH2+]CCNCCC[NH+]1CCCCCC1 ZINC000049477780 167106229 /nfs/dbraw/zinc/10/62/29/167106229.db2.gz QUBINHRPBBRIJT-UHFFFAOYSA-N 2 0 241.423 1.840 10 0 BDAERP CC(C)[NH2+]CC[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477871 167109777 /nfs/dbraw/zinc/10/97/77/167109777.db2.gz PARGJEVMPPJRPJ-CYBMUJFWSA-N 2 0 241.423 1.789 10 0 BDAERP CC(C)[NH2+]C[C@@H]1CCN([C@@H]2CC[N@H+](C)C2)C1 ZINC000053031652 167112652 /nfs/dbraw/zinc/11/26/52/167112652.db2.gz PPAWVMOHGZEENO-QWHCGFSZSA-N 2 0 225.380 1.010 10 0 BDAERP CC(C)[C@@H](C)[N@H+](C)CCC(=O)N(C)CCC[NH3+] ZINC000036786691 167367866 /nfs/dbraw/zinc/36/78/66/167367866.db2.gz MABRVIGFPOEJDN-GFCCVEGCSA-N 2 0 243.395 1.160 10 0 BDAERP C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310529302 411241395 /nfs/dbraw/zinc/24/13/95/411241395.db2.gz PMPMTZOGJQEVEJ-YXCITZCRSA-N 2 0 231.343 1.812 10 0 BDAERP C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310529301 411241403 /nfs/dbraw/zinc/24/14/03/411241403.db2.gz PMPMTZOGJQEVEJ-VZZFWQQMSA-N 2 0 231.343 1.812 10 0 BDAERP C[C@H]1C[NH+](CCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000050952282 411269747 /nfs/dbraw/zinc/26/97/47/411269747.db2.gz JFWYGUYIMQQCRF-STQMWFEESA-N 2 0 240.391 1.875 10 0 BDAERP CC1(C)CC(NCCC[NH3+])CC(C)(C)[NH2+]1 ZINC000041620039 167888106 /nfs/dbraw/zinc/88/81/06/167888106.db2.gz SIZOWDGGCYRAHE-UHFFFAOYSA-N 2 0 213.369 1.234 10 0 BDAERP CC1CCC(C[N@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000336759677 168153041 /nfs/dbraw/zinc/15/30/41/168153041.db2.gz LKBBAVMHBDUKMY-HTAVTVPLSA-N 2 0 214.353 1.064 10 0 BDAERP CC1CC[NH+](Cc2cccnc2C[NH3+])CC1 ZINC000061656405 168184204 /nfs/dbraw/zinc/18/42/04/168184204.db2.gz YCGJVVQTXVTXRO-UHFFFAOYSA-N 2 0 219.332 1.772 10 0 BDAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCCO2)CC1 ZINC000037210348 169957532 /nfs/dbraw/zinc/95/75/32/169957532.db2.gz JSSPLNVWOHTYPU-TZMCWYRMSA-N 2 0 240.391 1.875 10 0 BDAERP CC[N@@H+]1CC[C@H](CNc2cc[nH+]cc2)C1 ZINC000037484459 170016280 /nfs/dbraw/zinc/01/62/80/170016280.db2.gz WALQZMUINKBDNS-LLVKDONJSA-N 2 0 205.305 1.835 10 0 BDAERP CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000037690853 170109421 /nfs/dbraw/zinc/10/94/21/170109421.db2.gz IPGBNSUOTQQVBZ-CHWSQXEVSA-N 2 0 226.364 1.364 10 0 BDAERP CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000037690854 170109817 /nfs/dbraw/zinc/10/98/17/170109817.db2.gz IPGBNSUOTQQVBZ-QWHCGFSZSA-N 2 0 226.364 1.364 10 0 BDAERP CC[NH2+]CCC[C@H](C)[NH+]1CCN(C(C)C)CC1 ZINC000052480090 170112708 /nfs/dbraw/zinc/11/27/08/170112708.db2.gz FTPLMZURQHVLGU-AWEZNQCLSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000095091544 170119997 /nfs/dbraw/zinc/11/99/97/170119997.db2.gz NDTHGBXTJCOSAV-GJZGRUSLSA-N 2 0 248.370 1.479 10 0 BDAERP CC[NH2+]C[C@H](O)C[N@H+](C)C1CCC(CC)CC1 ZINC000042515657 170121567 /nfs/dbraw/zinc/12/15/67/170121567.db2.gz WILPMBIEGZTDCU-RUXDESIVSA-N 2 0 242.407 1.857 10 0 BDAERP CC[NH2+][C@@H](C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000061268843 170139186 /nfs/dbraw/zinc/13/91/86/170139186.db2.gz DACFOWVNMXCYEI-NSHDSACASA-N 2 0 243.395 1.079 10 0 BDAERP CC[NH2+][C@@H](C)[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940533 170140203 /nfs/dbraw/zinc/14/02/03/170140203.db2.gz NLXKLYGMYQMCPH-BFHYXJOUSA-N 2 0 239.407 1.543 10 0 BDAERP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCC(O)CC1 ZINC000053860493 170166805 /nfs/dbraw/zinc/16/68/05/170166805.db2.gz SPTZMUVPBGNKHI-AAEUAGOBSA-N 2 0 226.364 1.221 10 0 BDAERP CC[NH2+][C@H]1CCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000104198336 170167283 /nfs/dbraw/zinc/16/72/83/170167283.db2.gz OJICJLZBSRJQSM-KGLIPLIRSA-N 2 0 241.423 1.648 10 0 BDAERP CCOC1CC[NH+](Cc2ccoc2C[NH3+])CC1 ZINC000052484012 170332855 /nfs/dbraw/zinc/33/28/55/170332855.db2.gz NFJDVTZJJDHLCZ-UHFFFAOYSA-N 2 0 238.331 1.739 10 0 BDAERP CCOCC[N@H+](CC)Cc1cc(C[NH2+]C)co1 ZINC000104189743 170394664 /nfs/dbraw/zinc/39/46/64/170394664.db2.gz GAUSHYFZEVOOQW-UHFFFAOYSA-N 2 0 240.347 1.857 10 0 BDAERP CCOCC[N@H+](CC)Cc1ccc(C[NH2+]C)o1 ZINC000104186898 170396692 /nfs/dbraw/zinc/39/66/92/170396692.db2.gz BNLBEPPBTFUHMC-UHFFFAOYSA-N 2 0 240.347 1.857 10 0 BDAERP CC[C@@H]1CCN(C[C@@H]2CC[N@H+](CC)C2)CC[NH2+]1 ZINC000049662188 171011534 /nfs/dbraw/zinc/01/15/34/171011534.db2.gz RKPRAEJTHXRURW-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP CC[C@@H]1CSC(NC[C@@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000037485227 171113670 /nfs/dbraw/zinc/11/36/70/171113670.db2.gz VEQKCBCEPTVWLU-VHSXEESVSA-N 2 0 227.377 1.409 10 0 BDAERP CC[C@@](C)(C[NH3+])C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063122106 171166269 /nfs/dbraw/zinc/16/62/69/171166269.db2.gz NDDLCHKUVJNULU-AWEZNQCLSA-N 3 0 241.423 1.635 10 0 BDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CC2CC2)CC1 ZINC000055075119 171318512 /nfs/dbraw/zinc/31/85/12/171318512.db2.gz WEGMLWGWQFIHPG-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP CC[C@H](C)[NH2+]CCN(C)C1CC[NH+](CC)CC1 ZINC000042689590 171340355 /nfs/dbraw/zinc/34/03/55/171340355.db2.gz UBXWULRWHNKHOD-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CC[C@H](C)[NH2+]C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000104140322 171342076 /nfs/dbraw/zinc/34/20/76/171342076.db2.gz ARMKHAYPRNYPTO-STQMWFEESA-N 2 0 241.423 1.789 10 0 BDAERP CC[C@H](C)[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055077881 171368905 /nfs/dbraw/zinc/36/89/05/171368905.db2.gz CUNLQWHDYCYHNY-UONOGXRCSA-N 2 0 241.423 1.633 10 0 BDAERP CC[C@H](C)[C@@H](C[NH2+]C1CCC([NH3+])CC1)OC ZINC000362974589 171369071 /nfs/dbraw/zinc/36/90/71/171369071.db2.gz BHGIIXUGIAECJN-YWPUVAFDSA-N 2 0 228.380 1.907 10 0 BDAERP CC[C@H](C)[C@H]([NH3+])CN(CC[NH+](C)C)CC(C)C ZINC000042781877 171396343 /nfs/dbraw/zinc/39/63/43/171396343.db2.gz MIFDJGFPGLPQOV-UONOGXRCSA-N 2 0 243.439 1.879 10 0 BDAERP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000665236911 412177265 /nfs/dbraw/zinc/17/72/65/412177265.db2.gz WHVFBWJWBNQOHF-AVGNSLFASA-N 2 0 239.407 1.447 10 0 BDAERP C[C@@H]([NH2+]CCc1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000665263508 412207170 /nfs/dbraw/zinc/20/71/70/412207170.db2.gz NPEWZSQROQEMNO-YPMHNXCESA-N 2 0 222.332 1.800 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000665265364 412208600 /nfs/dbraw/zinc/20/86/00/412208600.db2.gz WGMNKMFAZXKHIY-FVCCEPFGSA-N 2 0 226.364 1.532 10 0 BDAERP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000665276128 412219412 /nfs/dbraw/zinc/21/94/12/412219412.db2.gz YWAXWVCVNILZBX-IACUBPJLSA-N 2 0 240.391 1.779 10 0 BDAERP CCc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000019796023 171833735 /nfs/dbraw/zinc/83/37/35/171833735.db2.gz HFMFMIGXRGAOKQ-OAHLLOKOSA-N 2 0 247.386 1.496 10 0 BDAERP CCn1cc[nH+]c1NC1CC[NH+](C)CC1 ZINC000050608429 172228405 /nfs/dbraw/zinc/22/84/05/172228405.db2.gz BQUVDNIJPFSVAM-UHFFFAOYSA-N 2 0 208.309 1.409 10 0 BDAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])[C@@H]1CCCO1 ZINC000011848804 172480536 /nfs/dbraw/zinc/48/05/36/172480536.db2.gz LFSUZAFAKHQISJ-STQMWFEESA-N 2 0 237.347 1.229 10 0 BDAERP CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000104357221 173004552 /nfs/dbraw/zinc/00/45/52/173004552.db2.gz IMKIWQWCMYFYMZ-ZIAGYGMSSA-N 2 0 239.407 1.545 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CCN1CCC[NH2+]CC1 ZINC000036964299 173005554 /nfs/dbraw/zinc/00/55/54/173005554.db2.gz XEINHGIYRGVBEV-CYBMUJFWSA-N 2 0 225.380 1.156 10 0 BDAERP C[N@@H+]1CCCC[C@H](C[NH3+])[C@H]1c1ccccn1 ZINC000082366123 173006519 /nfs/dbraw/zinc/00/65/19/173006519.db2.gz BMFNQIDMRQSIQX-YPMHNXCESA-N 2 0 219.332 1.813 10 0 BDAERP C[N@@H+]1CCCN(CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000054027329 173014774 /nfs/dbraw/zinc/01/47/74/173014774.db2.gz SAIRNYFOFVUHDD-GFCCVEGCSA-N 2 0 227.396 1.387 10 0 BDAERP C[N@@H+]1CCC[C@@H]1CCOCCC[NH2+]C1CC1 ZINC000052673124 173028391 /nfs/dbraw/zinc/02/83/91/173028391.db2.gz IUEWLZFMHCMDEC-CYBMUJFWSA-N 2 0 226.364 1.629 10 0 BDAERP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCO2)C1 ZINC000044537259 173040908 /nfs/dbraw/zinc/04/09/08/173040908.db2.gz FAGOKESTAFNSRX-NEPJUHHUSA-N 2 0 212.337 1.097 10 0 BDAERP C[N@@H+]1CCC[C@H]1CCOc1cc(C[NH3+])ccn1 ZINC000040240417 173053315 /nfs/dbraw/zinc/05/33/15/173053315.db2.gz SQCPIAXXJBNDRD-LBPRGKRZSA-N 2 0 235.331 1.403 10 0 BDAERP CN1CC[N@H+](CC2(C)CC[NH2+]CC2)CC1(C)C ZINC000104357388 173078367 /nfs/dbraw/zinc/07/83/67/173078367.db2.gz MIDUBAOQAJRARR-UHFFFAOYSA-N 2 0 239.407 1.402 10 0 BDAERP C[N@@H+]1CCN(CCC(N)=[NH2+])[C@H](c2ccccc2)C1 ZINC000034651186 173080845 /nfs/dbraw/zinc/08/08/45/173080845.db2.gz XFQHZLJUHDQSOK-ZDUSSCGKSA-N 2 0 246.358 1.301 10 0 BDAERP C[NH+]1CCN(C[C@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000023071856 173086002 /nfs/dbraw/zinc/08/60/02/173086002.db2.gz WUBCRFBEYSSYIQ-ZDUSSCGKSA-N 2 0 237.322 1.073 10 0 BDAERP CN1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000037157155 173095044 /nfs/dbraw/zinc/09/50/44/173095044.db2.gz STUWIXWQZVSGGK-OLZOCXBDSA-N 2 0 225.380 1.141 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000037484643 173117567 /nfs/dbraw/zinc/11/75/67/173117567.db2.gz MHZWGHRGSDXIMH-JTQLQIEISA-N 2 0 210.346 1.789 10 0 BDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=[NH2+])c1ccccc1 ZINC000071193302 173142634 /nfs/dbraw/zinc/14/26/34/173142634.db2.gz BEPXBVWAWAYFAY-LBPRGKRZSA-N 2 0 231.343 1.895 10 0 BDAERP C[N@@H+]1CC[C@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000037485232 173147211 /nfs/dbraw/zinc/14/72/11/173147211.db2.gz DFOUJHIPOSSOSD-SECBINFHSA-N 2 0 227.377 1.409 10 0 BDAERP C[NH2+]C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000044518786 173322736 /nfs/dbraw/zinc/32/27/36/173322736.db2.gz GVDHMOOCZIUOMU-UHFFFAOYSA-N 3 0 225.380 1.012 10 0 BDAERP C[NH2+]CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000083349123 173349936 /nfs/dbraw/zinc/34/99/36/173349936.db2.gz ISQMGHYWFOOHMM-UHFFFAOYSA-N 2 0 217.316 1.867 10 0 BDAERP C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571550 173361860 /nfs/dbraw/zinc/36/18/60/173361860.db2.gz JGUMHXUEHVZNHP-ZDUSSCGKSA-N 2 0 241.423 1.647 10 0 BDAERP C[NH2+]C[C@@H](c1ccccc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000104138751 173366816 /nfs/dbraw/zinc/36/68/16/173366816.db2.gz GVAPCGPHMCNRBP-ZFWWWQNUSA-N 2 0 247.386 1.583 10 0 BDAERP C[NH2+]C[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000052419077 173375611 /nfs/dbraw/zinc/37/56/11/173375611.db2.gz FBLWJIVECGJTNV-LBPRGKRZSA-N 2 0 218.344 1.900 10 0 BDAERP C[NH2+]Cc1ccccc1N1CC[C@H]([NH+](C)C)C1 ZINC000062967106 173390468 /nfs/dbraw/zinc/39/04/68/173390468.db2.gz UKYNEMLZOAZZRG-ZDUSSCGKSA-N 2 0 233.359 1.546 10 0 BDAERP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000037758704 173390585 /nfs/dbraw/zinc/39/05/85/173390585.db2.gz WPCQFVQXJATLIO-LBPRGKRZSA-N 2 0 247.342 1.296 10 0 BDAERP C[NH2+]Cc1coc(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000052484534 173393082 /nfs/dbraw/zinc/39/30/82/173393082.db2.gz ATGQJOZAGVHXBF-SNVBAGLBSA-N 2 0 208.305 1.841 10 0 BDAERP C[NH2+]Cc1coc(C[NH+]2CCC(OC)CC2)c1 ZINC000052455322 173393358 /nfs/dbraw/zinc/39/33/58/173393358.db2.gz JCUUZCPFSXFZRG-UHFFFAOYSA-N 2 0 238.331 1.610 10 0 BDAERP COC1CC[NH+](C[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000053866142 174029329 /nfs/dbraw/zinc/02/93/29/174029329.db2.gz ASXHVSKJBQEIPT-ZYHUDNBSSA-N 2 0 212.337 1.225 10 0 BDAERP COC1CC[NH+](Cc2ccccc2C[NH3+])CC1 ZINC000037265761 174030360 /nfs/dbraw/zinc/03/03/60/174030360.db2.gz UMNQECFPUUTQAP-UHFFFAOYSA-N 2 0 234.343 1.756 10 0 BDAERP COCC[NH+](CCOC)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000053859486 174295959 /nfs/dbraw/zinc/29/59/59/174295959.db2.gz XOFUFWCRUXMDSP-QWHCGFSZSA-N 2 0 244.379 1.099 10 0 BDAERP COCC[NH+]1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049665415 174311952 /nfs/dbraw/zinc/31/19/52/174311952.db2.gz ULQFBZHIXWRLGL-GHMZBOCLSA-N 2 0 200.326 1.095 10 0 BDAERP COCC[NH2+]CCCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000053499147 174332226 /nfs/dbraw/zinc/33/22/26/174332226.db2.gz SDDAPVXULRITRW-OLZOCXBDSA-N 2 0 244.379 1.112 10 0 BDAERP COCCNc1cc([C@@H]2CCC[NH2+]C2)ccn1 ZINC000072386641 174340854 /nfs/dbraw/zinc/34/08/54/174340854.db2.gz JXEWHHRISOSWMJ-GFCCVEGCSA-N 2 0 235.331 1.607 10 0 BDAERP COCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000160685191 174386423 /nfs/dbraw/zinc/38/64/23/174386423.db2.gz SJMJJQHHCJUTCY-MNOVXSKESA-N 2 0 200.326 1.143 10 0 BDAERP COc1ccc(F)cc1[C@@H](C[NH3+])CC[NH+](C)C ZINC000041283770 175132067 /nfs/dbraw/zinc/13/20/67/175132067.db2.gz DSCRCKJNYHBBBF-SNVBAGLBSA-N 2 0 240.322 1.828 10 0 BDAERP COc1ccc([C@@H](CC[NH3+])C[NH+](C)C)cc1F ZINC000076621933 175178742 /nfs/dbraw/zinc/17/87/42/175178742.db2.gz YWGZJEPCNMHOAJ-NSHDSACASA-N 2 0 240.322 1.828 10 0 BDAERP COc1ccc2c(NCC[NH3+])cc[nH+]c2c1 ZINC000019721370 175205570 /nfs/dbraw/zinc/20/55/70/175205570.db2.gz UZYGRPKEIPMAGS-UHFFFAOYSA-N 2 0 217.272 1.614 10 0 BDAERP COc1ccc2[nH+]c(N)n(CCC[NH+](C)C)c2c1 ZINC000013675163 175228462 /nfs/dbraw/zinc/22/84/62/175228462.db2.gz DFLWHTNLBWYQGM-UHFFFAOYSA-N 2 0 248.330 1.579 10 0 BDAERP COc1cccc([C@@H](CC[NH3+])C[NH+](C)C)c1 ZINC000076611363 175288205 /nfs/dbraw/zinc/28/82/05/175288205.db2.gz OFACEMFXDDPJMB-LBPRGKRZSA-N 2 0 222.332 1.689 10 0 BDAERP COc1ccccc1OCC[NH2+]CCC[NH3+] ZINC000074339270 175341244 /nfs/dbraw/zinc/34/12/44/175341244.db2.gz UQVRJZRJJIHNBJ-UHFFFAOYSA-N 2 0 224.304 1.012 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])no2)[C@@H]1C ZINC000052373384 176099355 /nfs/dbraw/zinc/09/93/55/176099355.db2.gz XKQJBXVUIOAJHV-NXEZZACHSA-N 2 0 223.320 1.754 10 0 BDAERP C[C@@H]1CCC[N@@H+]1Cc1cccnc1C[NH3+] ZINC000061656647 176110858 /nfs/dbraw/zinc/11/08/58/176110858.db2.gz BIJIUZVTCAYQAY-SNVBAGLBSA-N 2 0 205.305 1.525 10 0 BDAERP C[C@@H]1CC[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052182202 176168085 /nfs/dbraw/zinc/16/80/85/176168085.db2.gz KWEQRUPJTURKBS-LLVKDONJSA-N 2 0 212.337 1.084 10 0 BDAERP C[C@@H]1CC[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000044390346 176169594 /nfs/dbraw/zinc/16/95/94/176169594.db2.gz UZSFNKMCGHFZOH-CYBMUJFWSA-N 2 0 233.359 1.698 10 0 BDAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000053860163 176228518 /nfs/dbraw/zinc/22/85/18/176228518.db2.gz HEQGCKKCKROANH-RFGFWPKPSA-N 2 0 240.391 1.454 10 0 BDAERP C[C@H]1CCC[N@H+](CCOC2CC[NH2+]CC2)CC1 ZINC000104389321 177100575 /nfs/dbraw/zinc/10/05/75/177100575.db2.gz GSVDIHAJYUAOSY-ZDUSSCGKSA-N 2 0 240.391 1.877 10 0 BDAERP C[C@H]1CCC[N@H+](Cc2cccnc2C[NH3+])C1 ZINC000061656420 177101468 /nfs/dbraw/zinc/10/14/68/177101468.db2.gz IEIZYYYBVBTJLM-NSHDSACASA-N 2 0 219.332 1.772 10 0 BDAERP C[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CCCOCC2)C1 ZINC000061916615 177127487 /nfs/dbraw/zinc/12/74/87/177127487.db2.gz FGWJJXRXLQCEHY-QWHCGFSZSA-N 2 0 226.364 1.616 10 0 BDAERP C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000044982834 177161576 /nfs/dbraw/zinc/16/15/76/177161576.db2.gz YXCFYYJLHWPCNU-STQMWFEESA-N 2 0 226.364 1.487 10 0 BDAERP C[C@H]1C[N@H+](CCC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000050952307 177248999 /nfs/dbraw/zinc/24/89/99/177248999.db2.gz APXLFAUTHLLBLX-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]([NH3+])CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000061916994 177249877 /nfs/dbraw/zinc/24/98/77/177249877.db2.gz HFUIRXWHCHVRQN-MNOVXSKESA-N 2 0 200.326 1.225 10 0 BDAERP C[C@H]1C[N@H+](CCc2ccsc2)CC[C@@H]1[NH3+] ZINC000049713588 177256347 /nfs/dbraw/zinc/25/63/47/177256347.db2.gz FRZBKAZJDNTHNV-JQWIXIFHSA-N 2 0 224.373 1.960 10 0 BDAERP C[C@H]1CN(C[C@H]([NH3+])Cc2ccccc2)CC[N@@H+]1C ZINC000104351605 177257564 /nfs/dbraw/zinc/25/75/64/177257564.db2.gz AAHOFTPTFSDWLH-DZGCQCFKSA-N 2 0 247.386 1.192 10 0 BDAERP C[C@@H](CC[NH3+])[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000045663995 177274128 /nfs/dbraw/zinc/27/41/28/177274128.db2.gz XZGDLAJHUMXDCP-UWVGGRQHSA-N 2 0 200.326 1.223 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000035782897 177274657 /nfs/dbraw/zinc/27/46/57/177274657.db2.gz TWAHXDSGXLXSMB-MBJXGIAVSA-N 2 0 240.391 1.859 10 0 BDAERP C[C@H]1CN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC[N@@H+]1C ZINC000104125928 177275021 /nfs/dbraw/zinc/27/50/21/177275021.db2.gz SVXQEAXYGKQMHJ-GLQYFDAESA-N 2 0 245.370 1.247 10 0 BDAERP C[C@H](C[NH+]1CCCC1)NC1=[NH+]C[C@H](C)S1 ZINC000049185288 177281981 /nfs/dbraw/zinc/28/19/81/177281981.db2.gz ZUPXVEGPVKJFMM-ZJUUUORDSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@@H]1C[C@H](C)CN(C2(C[NH3+])CC[NH+](C)CC2)C1 ZINC000019506687 177312451 /nfs/dbraw/zinc/31/24/51/177312451.db2.gz DTDOPTQJZFCQTQ-BETUJISGSA-N 2 0 239.407 1.387 10 0 BDAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccco1 ZINC000049713512 177326737 /nfs/dbraw/zinc/32/67/37/177326737.db2.gz XWEXJWSWUAWTBN-QWRGUYRKSA-N 2 0 208.305 1.634 10 0 BDAERP C[C@H](NCC[NH+]1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000400332303 226340848 /nfs/dbraw/zinc/34/08/48/226340848.db2.gz GFTVYJAQLKTSMP-KBPBESRZSA-N 2 0 239.407 1.450 10 0 BDAERP Cc1cc(C)c(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000400337681 226341026 /nfs/dbraw/zinc/34/10/26/226341026.db2.gz DSOWLDOXEOMNKH-CHWSQXEVSA-N 2 0 233.359 1.786 10 0 BDAERP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400348317 226341515 /nfs/dbraw/zinc/34/15/15/226341515.db2.gz LIBAFTHPGLYOIN-TUAOUCFPSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@H]1CC[NH2+]C1 ZINC000400552079 226346176 /nfs/dbraw/zinc/34/61/76/226346176.db2.gz YAPDZRHORVIBKC-FPMFFAJLSA-N 2 0 246.354 1.578 10 0 BDAERP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400810475 533686167 /nfs/dbraw/zinc/68/61/67/533686167.db2.gz YALXXJKOLFGHAR-WCQYABFASA-N 2 0 234.343 1.783 10 0 BDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H]1CC[NH2+]C1 ZINC000251603665 487775637 /nfs/dbraw/zinc/77/56/37/487775637.db2.gz DEMDAZZJOXXXPM-RDBSUJKOSA-N 2 0 237.391 1.155 10 0 BDAERP CCC[C@H](C(=O)NCC[N@H+](C)C(C)C)[NH+](C)C ZINC000130763937 325085383 /nfs/dbraw/zinc/08/53/83/325085383.db2.gz UAWXLFNAJLXSFO-GFCCVEGCSA-N 2 0 243.395 1.173 10 0 BDAERP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccn1 ZINC000567102572 326116021 /nfs/dbraw/zinc/11/60/21/326116021.db2.gz RFFHNXFWGJGGSD-TZMCWYRMSA-N 2 0 233.359 1.868 10 0 BDAERP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000567647068 326238200 /nfs/dbraw/zinc/23/82/00/326238200.db2.gz QVCQXMOIBLHKML-XQQFMLRXSA-N 2 0 242.407 1.761 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000084216353 488037512 /nfs/dbraw/zinc/03/75/12/488037512.db2.gz MIHCVYPIPSIDOL-RWMBFGLXSA-N 2 0 226.364 1.663 10 0 BDAERP C[NH+]1CCC(c2nc([C@H]3CCC[NH2+]3)no2)CC1 ZINC000257872619 488089900 /nfs/dbraw/zinc/08/99/00/488089900.db2.gz AKIUUBFOKADIDS-SNVBAGLBSA-N 2 0 236.319 1.303 10 0 BDAERP C[NH+](C)C1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000310537513 488099303 /nfs/dbraw/zinc/09/93/03/488099303.db2.gz RQZRZHNJUTUTCX-OCCSQVGLSA-N 2 0 240.391 1.564 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000403626997 488129565 /nfs/dbraw/zinc/12/95/65/488129565.db2.gz MDUQZTCGGCOSDG-KVSVUVNWSA-N 2 0 208.349 1.702 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000227133301 487550870 /nfs/dbraw/zinc/55/08/70/487550870.db2.gz IBSRATGDTRWXRI-LOWDOPEQSA-N 2 0 226.364 1.397 10 0 BDAERP CCOc1cccnc1N(C)C1CC[NH2+]CC1 ZINC000034521890 488198493 /nfs/dbraw/zinc/19/84/93/488198493.db2.gz BKIBQYJOMQGEMT-UHFFFAOYSA-N 2 0 235.331 1.669 10 0 BDAERP CC(C)C[C@@H]([NH3+])c1noc(C[C@@H](C)[NH3+])n1 ZINC000309499020 490692237 /nfs/dbraw/zinc/69/22/37/490692237.db2.gz ULTNFBCHDNHHEE-HTQZYQBOSA-N 2 0 212.297 1.005 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400945087 491069172 /nfs/dbraw/zinc/06/91/72/491069172.db2.gz FDMPVEBKTFEYEJ-XJFOESAGSA-N 2 0 240.391 1.371 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757134855 582513215 /nfs/dbraw/zinc/51/32/15/582513215.db2.gz XFELTDUEADGMFW-HZSPNIEDSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400390087 533847812 /nfs/dbraw/zinc/84/78/12/533847812.db2.gz ZMNRIJSCOUEATC-UONOGXRCSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CC[NH2+]C1 ZINC000400382460 533881440 /nfs/dbraw/zinc/88/14/40/533881440.db2.gz KSBHVODMMJASLK-CYDGBPFRSA-N 2 0 226.364 1.125 10 0 BDAERP CC(C)C[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000400350159 528533053 /nfs/dbraw/zinc/53/30/53/528533053.db2.gz JRFYCFGKHUAAIM-HZSPNIEDSA-N 2 0 241.423 1.550 10 0 BDAERP C[C@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757146329 582529823 /nfs/dbraw/zinc/52/98/23/582529823.db2.gz KFZVTQFZWKUSSM-FZMZJTMJSA-N 2 0 238.375 1.881 10 0 BDAERP [NH3+]C[C@@H]1CCNc2[nH+]c3c(n21)CCCC3 ZINC000236228461 582642061 /nfs/dbraw/zinc/64/20/61/582642061.db2.gz VJOPIZPEIQQXQW-QMMMGPOBSA-N 2 0 206.293 1.077 10 0 BDAERP C[C@@H]1CC[NH2+]C[C@H]1c1cccc(C[NH3+])c1 ZINC000757208428 586437974 /nfs/dbraw/zinc/43/79/74/586437974.db2.gz CRCADLQBAZIOLP-ZWNOBZJWSA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1N[C@H](c2cccc(C[NH3+])c2)CC[C@@H]1[NH3+] ZINC000757211828 586438979 /nfs/dbraw/zinc/43/89/79/586438979.db2.gz IUONSDWSEARGKW-XDTLVQLUSA-N 2 0 219.332 1.286 10 0 BDAERP C[C@@H]1C[C@@H](c2cccc(C[NH3+])c2)NC[C@@H]1[NH3+] ZINC000757212874 586439463 /nfs/dbraw/zinc/43/94/63/586439463.db2.gz KBIVQXCNRHYYNX-ICCXJUOJSA-N 2 0 219.332 1.143 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](C2CCOCC2)[NH2+]1 ZINC000757213223 586439602 /nfs/dbraw/zinc/43/96/02/586439602.db2.gz OZLDGWDVNYEERS-USWWRNFRSA-N 2 0 212.337 1.128 10 0 BDAERP [NH3+][C@@H]1CC[NH2+][C@@H](c2cccc3cc[nH]c32)C1 ZINC000757213600 586439972 /nfs/dbraw/zinc/43/99/72/586439972.db2.gz LAXOITODIDRCOV-ZYHUDNBSSA-N 2 0 215.300 1.920 10 0 BDAERP [NH3+]CC[C@@H]1CC[C@@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757216519 586441110 /nfs/dbraw/zinc/44/11/10/586441110.db2.gz QCVLBPQFYZPISD-FZMZJTMJSA-N 2 0 232.327 1.889 10 0 BDAERP Nc1cccc([C@H]2C[C@H](C[NH3+])CC[NH2+]2)c1 ZINC000757217493 586441775 /nfs/dbraw/zinc/44/17/75/586441775.db2.gz RVZZDQONFAEVFE-BXKDBHETSA-N 2 0 205.305 1.268 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccc(N)c2)[NH2+]1 ZINC000757220115 586442146 /nfs/dbraw/zinc/44/21/46/586442146.db2.gz ZYHQSEAMNPEFBZ-XWIASGKRSA-N 2 0 219.332 1.657 10 0 BDAERP C[C@@H]1CCN[C@@H](c2cccc(C[NH3+])c2)[C@H]1[NH3+] ZINC000757220249 586442169 /nfs/dbraw/zinc/44/21/69/586442169.db2.gz XPNMWCXEYJNJLV-ICCXJUOJSA-N 2 0 219.332 1.143 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757220257 586442208 /nfs/dbraw/zinc/44/22/08/586442208.db2.gz XSFWOFXXUGVTKV-GXFFZTMASA-N 2 0 204.317 1.858 10 0 BDAERP [NH3+]Cc1cc([C@@H]2C[NH2+]CC[C@H]2[NH3+])ccc1C1CC1 ZINC000757232633 586443008 /nfs/dbraw/zinc/44/30/08/586443008.db2.gz JBARQMYVQWGTBI-LSDHHAIUSA-N 3 0 245.370 1.427 10 0 BDAERP Cc1ccc(N)cc1[C@H]1C[C@@H](C[NH3+])CC[NH2+]1 ZINC000757229990 586443344 /nfs/dbraw/zinc/44/33/44/586443344.db2.gz FOWFQVYDLAWVCW-GXFFZTMASA-N 2 0 219.332 1.577 10 0 BDAERP CC(C)(C)n1cc([C@@H]2C[NH2+]C[C@H](C[NH3+])C2)cn1 ZINC000757237951 586443544 /nfs/dbraw/zinc/44/35/44/586443544.db2.gz QXFNNWFWUKRONR-QWRGUYRKSA-N 2 0 236.363 1.290 10 0 BDAERP CCn1cc([C@@H]2[NH2+][C@H](C)C[C@H](C)[C@@H]2C[NH3+])cn1 ZINC000757243241 586445103 /nfs/dbraw/zinc/44/51/03/586445103.db2.gz ZXRDWJGXIUBCJA-LFSVMHDDSA-N 2 0 236.363 1.537 10 0 BDAERP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@@H]1N(C)C ZINC000124245757 589970470 /nfs/dbraw/zinc/97/04/70/589970470.db2.gz QMAYTBQZRTXGIT-OLZOCXBDSA-N 2 0 227.396 1.387 10 0 BDAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)N1CCCCC1 ZINC000094087936 635183092 /nfs/dbraw/zinc/18/30/92/635183092.db2.gz CWSRONKJQAOYOQ-HSBZDZAISA-N 2 0 239.407 1.720 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc[nH+]cc1CO ZINC000126534793 632123395 /nfs/dbraw/zinc/12/33/95/632123395.db2.gz DOPFUAXBDLDMQD-CYBMUJFWSA-N 2 0 249.358 1.494 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000235265455 632591282 /nfs/dbraw/zinc/59/12/82/632591282.db2.gz ULNPHMGMRGZKFV-ZOBORPQBSA-N 2 0 237.391 1.010 10 0 BDAERP CCN1CCC[C@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000092633557 634198691 /nfs/dbraw/zinc/19/86/91/634198691.db2.gz IABGKWZEWDHPGH-AWEZNQCLSA-N 2 0 241.423 1.922 10 0 BDAERP C[N@H+](C[C@@H]1CCCO1)C1(C[NH3+])CCCCC1 ZINC000042463625 637264660 /nfs/dbraw/zinc/26/46/60/637264660.db2.gz OWJGRCFCSNDYMQ-LBPRGKRZSA-N 2 0 226.364 1.759 10 0 BDAERP C([C@@H]1CCCO1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199678 641144979 /nfs/dbraw/zinc/14/49/79/641144979.db2.gz AORMNVSPYMSFLU-KBPBESRZSA-N 2 0 238.375 1.629 10 0 BDAERP C[N@H+](CCCCCCO)[C@H]1CCC[NH2+]CC1 ZINC000231668162 641190758 /nfs/dbraw/zinc/19/07/58/641190758.db2.gz KFAGXLDWOUNETE-ZDUSSCGKSA-N 2 0 228.380 1.613 10 0 BDAERP CN(C)[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000071137239 643100829 /nfs/dbraw/zinc/10/08/29/643100829.db2.gz BVXSEBPYRYFFMM-CYBMUJFWSA-N 2 0 227.396 1.532 10 0 BDAERP CN(C)[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000071137244 643100879 /nfs/dbraw/zinc/10/08/79/643100879.db2.gz SEMFHCWKZXFWLJ-LBPRGKRZSA-N 2 0 213.369 1.141 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132694 643258153 /nfs/dbraw/zinc/25/81/53/643258153.db2.gz RPUHSDKTTIIYPQ-MGPQQGTHSA-N 2 0 240.391 1.733 10 0 BDAERP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000052420748 644536956 /nfs/dbraw/zinc/53/69/56/644536956.db2.gz CXHNMZRYKUNOSZ-XQHKEYJVSA-N 2 0 226.364 1.471 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000251636269 644815367 /nfs/dbraw/zinc/81/53/67/644815367.db2.gz FRLNITWAGUQXFM-IJLUTSLNSA-N 2 0 212.337 1.082 10 0 BDAERP COCC1CC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000713982972 712475909 /nfs/dbraw/zinc/47/59/09/712475909.db2.gz MBGNFDJIXSARGE-CQLXCSJHSA-N 2 0 226.364 1.389 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000717375790 712652684 /nfs/dbraw/zinc/65/26/84/712652684.db2.gz MROHOXVWEMETAB-RWMBFGLXSA-N 2 0 240.391 1.779 10 0 BDAERP Cc1cccc(NC[C@@H]2C[NH2+]C[C@H]2C)[nH+]1 ZINC000723810314 710733465 /nfs/dbraw/zinc/73/34/65/710733465.db2.gz LALGGWHOKAIDJE-KOLCDFICSA-N 2 0 205.305 1.657 10 0 BDAERP Cc1[nH+]ccc(N[C@H]2C[NH2+]CC2(C)C)c1Cl ZINC000721934750 710691726 /nfs/dbraw/zinc/69/17/26/710691726.db2.gz QMFNVRPLVNCCFX-JTQLQIEISA-N 2 0 239.750 1.875 10 0 BDAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000723119258 711505116 /nfs/dbraw/zinc/50/51/16/711505116.db2.gz XSIDXUFHAWDGOP-KSSYENDESA-N 2 0 208.349 1.702 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257650266 711723087 /nfs/dbraw/zinc/72/30/87/711723087.db2.gz DBDUZJNHHDIYFS-STQMWFEESA-N 2 0 224.348 1.241 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000708827627 712199872 /nfs/dbraw/zinc/19/98/72/712199872.db2.gz YEZSYQQOWMHHOP-KWCYVHTRSA-N 2 0 240.391 1.454 10 0 BDAERP C[C@H]([NH2+]CCc1ccns1)[C@@H]1CC[NH2+]C1 ZINC000709967901 712235834 /nfs/dbraw/zinc/23/58/34/712235834.db2.gz RLBXBHNVTNVDGQ-VHSXEESVSA-N 2 0 225.361 1.273 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)C[C@@H]1C[NH3+] ZINC000712483791 712431576 /nfs/dbraw/zinc/43/15/76/712431576.db2.gz DBOHCYYENRUFQO-FRRDWIJNSA-N 2 0 238.375 1.615 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000713586814 712466325 /nfs/dbraw/zinc/46/63/25/712466325.db2.gz ONDWDWDFQDKTFU-FRRDWIJNSA-N 2 0 240.391 1.718 10 0 BDAERP CSC1CCC(C[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000720470476 712845412 /nfs/dbraw/zinc/84/54/12/712845412.db2.gz KLVNHJGCTLVDRP-MOENNCHZSA-N 2 0 228.405 1.860 10 0 BDAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)nn1 ZINC000720578096 712853534 /nfs/dbraw/zinc/85/35/34/712853534.db2.gz BBDBBEMROFIVSI-FPMFFAJLSA-N 2 0 246.358 1.263 10 0 BDAERP [NH3+]CCN1CC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616612022 349473106 /nfs/dbraw/zinc/47/31/06/349473106.db2.gz JMYNLMBJCOZIBY-ZDUSSCGKSA-N 2 0 242.326 1.378 10 0 BDAERP CCC(CC)(C[NH2+]C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969985 168325457 /nfs/dbraw/zinc/32/54/57/168325457.db2.gz BKTDPPDLPDQAHW-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP Cc1cc(NCCCC[NH+](C)C)[nH+]cc1N ZINC000036245014 178159492 /nfs/dbraw/zinc/15/94/92/178159492.db2.gz RACXOXRVBXJDSW-UHFFFAOYSA-N 2 0 222.336 1.726 10 0 BDAERP C[C@@H]([NH2+]CCCCF)[C@@H]1CCC[NH2+]C1 ZINC000566088831 398253442 /nfs/dbraw/zinc/25/34/42/398253442.db2.gz VMYWBYMRGGJKEZ-GHMZBOCLSA-N 2 0 202.317 1.714 10 0 BDAERP C[C@@H](C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000207166650 538962116 /nfs/dbraw/zinc/96/21/16/538962116.db2.gz PFUAECFTLQVVSI-ZDUSSCGKSA-N 2 0 248.370 1.608 10 0 BDAERP CC[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038095343 538964867 /nfs/dbraw/zinc/96/48/67/538964867.db2.gz BVXGGGAPINYGIQ-ZDUSSCGKSA-N 2 0 226.364 1.629 10 0 BDAERP C[C@H](CC(N)=[NH2+])[N@@H+]1CCCSCC1 ZINC000042444060 362000669 /nfs/dbraw/zinc/00/06/69/362000669.db2.gz MOKAAKWGMUGCLU-MRVPVSSYSA-N 2 0 201.339 1.140 10 0 BDAERP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000012506033 342852977 /nfs/dbraw/zinc/85/29/77/342852977.db2.gz QSJGZIHOPCJDNN-QWHCGFSZSA-N 2 0 202.301 1.610 10 0 BDAERP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000220078250 342898707 /nfs/dbraw/zinc/89/87/07/342898707.db2.gz YXBSWJBGSDRMEP-CYBMUJFWSA-N 2 0 204.317 1.694 10 0 BDAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(C)(C)O ZINC000400425214 529651365 /nfs/dbraw/zinc/65/13/65/529651365.db2.gz YHKLFGGSOGHYAA-AXFHLTTASA-N 2 0 214.353 1.124 10 0 BDAERP Cc1cnn(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000235954283 343067832 /nfs/dbraw/zinc/06/78/32/343067832.db2.gz KKMGCJJUNXJYNX-RYUDHWBXSA-N 2 0 222.336 1.051 10 0 BDAERP [NH3+]CC[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616669230 343534490 /nfs/dbraw/zinc/53/44/90/343534490.db2.gz OLNTVTNOXNIIHS-GFCCVEGCSA-N 2 0 219.332 1.115 10 0 BDAERP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CCN2C(C)C ZINC000712039949 537784923 /nfs/dbraw/zinc/78/49/23/537784923.db2.gz IGJQSSNTHVGPGC-ZDUSSCGKSA-N 3 0 239.407 1.672 10 0 BDAERP CC(C)(C[NH3+])CN1CCOCC1(C)C ZINC000051255755 343623710 /nfs/dbraw/zinc/62/37/10/343623710.db2.gz IBAJWOFNKQHRCA-UHFFFAOYSA-N 2 0 200.326 1.082 10 0 BDAERP [NH3+]CCC[N@@H+]1CCOC[C@@H]2CCCC[C@H]21 ZINC000409427740 343801651 /nfs/dbraw/zinc/80/16/51/343801651.db2.gz FHHZJQYYWHYNNN-NWDGAFQWSA-N 2 0 212.337 1.226 10 0 BDAERP CCOC[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409430208 343807636 /nfs/dbraw/zinc/80/76/36/343807636.db2.gz QBPHIXUSFSQTRL-LBPRGKRZSA-N 2 0 226.364 1.487 10 0 BDAERP COC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC12CCC2 ZINC000409434504 343829317 /nfs/dbraw/zinc/82/93/17/343829317.db2.gz PPLXZFGQSZGVKC-GFCCVEGCSA-N 2 0 238.375 1.487 10 0 BDAERP CCOC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1C ZINC000409435583 343834512 /nfs/dbraw/zinc/83/45/12/343834512.db2.gz VLVWIBMQTBAGLV-NEPJUHHUSA-N 2 0 226.364 1.343 10 0 BDAERP CC[N@H+](CCC[NH3+])C1CCSCC1 ZINC000409436217 343837866 /nfs/dbraw/zinc/83/78/66/343837866.db2.gz YSSNXPCPWYJCKZ-UHFFFAOYSA-N 2 0 202.367 1.553 10 0 BDAERP CC(C)C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409435795 343840321 /nfs/dbraw/zinc/84/03/21/343840321.db2.gz WOPXZLYJMAQCBK-OCCSQVGLSA-N 2 0 240.391 1.467 10 0 BDAERP C1C[C@@H](N2CC[NH2+]CC2)[C@H]([NH+]2CCCCC2)C1 ZINC000409439336 343847095 /nfs/dbraw/zinc/84/70/95/343847095.db2.gz GTZPOEMCPAMOOL-ZIAGYGMSSA-N 2 0 237.391 1.299 10 0 BDAERP CC1(C)COC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000313135369 343894681 /nfs/dbraw/zinc/89/46/81/343894681.db2.gz ONJMJRGZAIQQBM-ILDUYXDCSA-N 2 0 212.337 1.271 10 0 BDAERP CC[N@@H+](Cc1ccccc1)C[C@@H](C[NH3+])OC ZINC000227421784 344334308 /nfs/dbraw/zinc/33/43/08/344334308.db2.gz JQCJCBTYUSVZHK-CYBMUJFWSA-N 2 0 222.332 1.482 10 0 BDAERP Cc1[nH+]ccc(N2C[C@@H]([NH3+])C[C@H]2C)c1Cl ZINC000385025944 344300684 /nfs/dbraw/zinc/30/06/84/344300684.db2.gz YUACTZTXMNQLEC-APPZFPTMSA-N 2 0 225.723 1.969 10 0 BDAERP CC(C)(C)OC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000082020357 537857366 /nfs/dbraw/zinc/85/73/66/537857366.db2.gz MNESDBWJBRTKQU-UHFFFAOYSA-N 2 0 242.363 1.389 10 0 BDAERP [NH3+]C[C@@H]1CCCC2(CC[NH+](C3CC3)CC2)O1 ZINC000675073426 537877126 /nfs/dbraw/zinc/87/71/26/537877126.db2.gz WWYCAIXQMGTARF-LBPRGKRZSA-N 2 0 224.348 1.511 10 0 BDAERP C([NH2+][C@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000634998653 345198243 /nfs/dbraw/zinc/19/82/43/345198243.db2.gz JDFAICYFLKSVOO-RYUDHWBXSA-N 2 0 208.349 1.908 10 0 BDAERP CN(CC[NH3+])c1cc[nH+]c2cc(F)ccc21 ZINC000212274459 345726829 /nfs/dbraw/zinc/72/68/29/345726829.db2.gz ZWBGTPRAFPMHIT-UHFFFAOYSA-N 2 0 219.263 1.769 10 0 BDAERP C[C@H]([NH2+][C@H](CO)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400748328 345727541 /nfs/dbraw/zinc/72/75/41/345727541.db2.gz UZFHLXSNXULGDQ-IACUBPJLSA-N 2 0 240.391 1.515 10 0 BDAERP CC[C@H](C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377541 537964914 /nfs/dbraw/zinc/96/49/14/537964914.db2.gz STNPBWJBVJDOIR-HUUCEWRRSA-N 2 0 248.370 1.608 10 0 BDAERP CC[N@H+](CC(C)C)C[C@H]1CNC[C@H](C[NH3+])C1 ZINC000669378614 537968314 /nfs/dbraw/zinc/96/83/14/537968314.db2.gz JFHFPWIHLQGPPO-QWHCGFSZSA-N 2 0 227.396 1.149 10 0 BDAERP C[C@@H]1C[N@@H+](C2CCC([NH3+])CC2)CCS1 ZINC000164153653 346593408 /nfs/dbraw/zinc/59/34/08/346593408.db2.gz RBVXWWMPHNKAGK-KPPDAEKUSA-N 2 0 214.378 1.694 10 0 BDAERP Cc1cccc(OCC[NH2+]CCC[NH+](C)C)c1 ZINC000041271793 179168596 /nfs/dbraw/zinc/16/85/96/179168596.db2.gz ZOZJVBZLIJPQDU-UHFFFAOYSA-N 2 0 236.359 1.915 10 0 BDAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](C)CC2)c1 ZINC000019771586 179199179 /nfs/dbraw/zinc/19/91/79/179199179.db2.gz YSFCYVVYMZLUST-AWEZNQCLSA-N 2 0 233.359 1.242 10 0 BDAERP Cc1cccc([C@H]([C@H](C)[NH3+])N2CC[NH+](C)CC2)c1 ZINC000042965392 179203125 /nfs/dbraw/zinc/20/31/25/179203125.db2.gz XNQBBJGPRCTYSQ-ZFWWWQNUSA-N 2 0 247.386 1.631 10 0 BDAERP COCCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000571431594 323144646 /nfs/dbraw/zinc/14/46/46/323144646.db2.gz VLNWMJXXRDZCJP-STQMWFEESA-N 2 0 240.391 1.781 10 0 BDAERP C[C@H]1CCN(CCC(F)(F)F)C[C@H]1[NH3+] ZINC000251569638 362887205 /nfs/dbraw/zinc/88/72/05/362887205.db2.gz DGVHSYBDKAQLFC-JGVFFNPUSA-N 2 0 210.243 1.608 10 0 BDAERP CC[C@@H]1C[N@@H+]([C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251753007 362906067 /nfs/dbraw/zinc/90/60/67/362906067.db2.gz LLXDNUWGLUNJEG-OUAUKWLOSA-N 2 0 214.378 1.551 10 0 BDAERP COCC[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000053660397 348649980 /nfs/dbraw/zinc/64/99/80/348649980.db2.gz QJKYNALXKCGTNF-UHFFFAOYSA-N 2 0 228.380 1.733 10 0 BDAERP F[C@@H]1CCCC[C@H]1N1CCC[NH2+]CC1 ZINC000616580800 349260337 /nfs/dbraw/zinc/26/03/37/349260337.db2.gz BJOJDPOBEOJIKV-GHMZBOCLSA-N 2 0 200.301 1.562 10 0 BDAERP Cc1nc(CC[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000082421768 179931339 /nfs/dbraw/zinc/93/13/39/179931339.db2.gz FKEKEALODIMGNN-UHFFFAOYSA-N 2 0 239.388 1.808 10 0 BDAERP Cc1nccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000038037591 180191832 /nfs/dbraw/zinc/19/18/32/180191832.db2.gz JRFBHXAVXSVTRK-LLVKDONJSA-N 2 0 248.374 1.605 10 0 BDAERP Cc1nccn1CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104449606 180250681 /nfs/dbraw/zinc/25/06/81/180250681.db2.gz SFWIEOKRYNBEGJ-LLVKDONJSA-N 2 0 236.363 1.251 10 0 BDAERP Cc1nccn1CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074268 180252135 /nfs/dbraw/zinc/25/21/35/180252135.db2.gz AROQWMRQOPSLPX-ZDUSSCGKSA-N 2 0 236.363 1.252 10 0 BDAERP Cc1nccn1CC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000042427524 180254244 /nfs/dbraw/zinc/25/42/44/180254244.db2.gz ZETSYEIRLCNIDW-WCQYABFASA-N 2 0 236.363 1.251 10 0 BDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1(O)CCCC1 ZINC000083588081 350249847 /nfs/dbraw/zinc/24/98/47/350249847.db2.gz OKNXQFRJKDAMSC-GFCCVEGCSA-N 2 0 226.364 1.175 10 0 BDAERP [NH3+]Cc1ccc(C2=CC[C@]3(C[C@H]3[NH3+])CC2)nc1F ZINC000725265260 538092177 /nfs/dbraw/zinc/09/21/77/538092177.db2.gz VAQISBMZIHBVAI-TZMCWYRMSA-N 2 0 247.317 1.964 10 0 BDAERP CCOC[C@H]1C[N@H+](CCC[NH3+])CC12CCCC2 ZINC000409433360 350477736 /nfs/dbraw/zinc/47/77/36/350477736.db2.gz MPTLJRUTTWFAAO-CYBMUJFWSA-N 2 0 240.391 1.864 10 0 BDAERP C[C@@H]1C[N@@H+](C2CCSCC2)CC[C@H]1[NH3+] ZINC000251864484 362971509 /nfs/dbraw/zinc/97/15/09/362971509.db2.gz STQBOCVSJPVVMW-MWLCHTKSSA-N 2 0 214.378 1.551 10 0 BDAERP [NH3+]CCN1CCCC[C@H]1c1cccc(CCO)c1 ZINC000616616782 350858390 /nfs/dbraw/zinc/85/83/90/350858390.db2.gz XTKBBDRQQHMSLD-HNNXBMFYSA-N 2 0 248.370 1.707 10 0 BDAERP CN(Cc1ccccc1)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000306720531 350879383 /nfs/dbraw/zinc/87/93/83/350879383.db2.gz ZPRBTQBALYYXKH-ZIAGYGMSSA-N 2 0 234.343 1.231 10 0 BDAERP FCCC[NH+]1CC[C@@H]2C[NH2+]C[C@H]2CC1 ZINC000306721006 350887782 /nfs/dbraw/zinc/88/77/82/350887782.db2.gz DDKJKGNXXVNQCU-GHMZBOCLSA-N 2 0 200.301 1.277 10 0 BDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC1C[NH2+]C1 ZINC000306847515 351158724 /nfs/dbraw/zinc/15/87/24/351158724.db2.gz LJLOHVSHWWCAHH-LBPRGKRZSA-N 2 0 233.359 1.068 10 0 BDAERP [NH3+]CC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616650649 351184504 /nfs/dbraw/zinc/18/45/04/351184504.db2.gz CIYOZIKZBUOMOP-AWEZNQCLSA-N 2 0 234.343 1.626 10 0 BDAERP [NH3+]CC[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616659991 351209009 /nfs/dbraw/zinc/20/90/09/351209009.db2.gz MCNPWGKCZQRBDY-AWEZNQCLSA-N 2 0 234.343 1.484 10 0 BDAERP C[C@@H]1C[NH2+][C@@]2(CC[N@H+](C)C[C@H]2C)S1 ZINC000306949938 351375203 /nfs/dbraw/zinc/37/52/03/351375203.db2.gz XIPMTLFTPAKAED-BBBLOLIVSA-N 2 0 200.351 1.379 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C1CSC1 ZINC000307131045 351495487 /nfs/dbraw/zinc/49/54/87/351495487.db2.gz SPRPYGDTPGOQDZ-BDAKNGLRSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CS1 ZINC000252173403 363190011 /nfs/dbraw/zinc/19/00/11/363190011.db2.gz ROHVGCQXGVDKDA-CHWFTXMASA-N 2 0 214.378 1.550 10 0 BDAERP C[C@H]([C@@H](C)C[NH3+])[N@@H+]1CCS[C@H](C)CC1 ZINC000307494429 352624999 /nfs/dbraw/zinc/62/49/99/352624999.db2.gz HTHLDRSEOCTVEW-HBNTYKKESA-N 2 0 216.394 1.797 10 0 BDAERP C[C@@H]1CCC[N@@H+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273922 538105021 /nfs/dbraw/zinc/10/50/21/538105021.db2.gz VEMOSTUOTGXTBB-GFCCVEGCSA-N 2 0 225.380 1.141 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000306796790 353039217 /nfs/dbraw/zinc/03/92/17/353039217.db2.gz JYCDUDGDXUXKOH-SECBINFHSA-N 2 0 202.660 1.828 10 0 BDAERP CC(C)C[C@@H](CN[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128921406 188085376 /nfs/dbraw/zinc/08/53/76/188085376.db2.gz YKSBFQYETXTMBS-KGLIPLIRSA-N 2 0 241.423 1.694 10 0 BDAERP CC(C)[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022173728 188109083 /nfs/dbraw/zinc/10/90/83/188109083.db2.gz QVGRQOPIONTENG-NSHDSACASA-N 2 0 249.358 1.813 10 0 BDAERP CC(C)C[C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000042744579 188121137 /nfs/dbraw/zinc/12/11/37/188121137.db2.gz DJPQHGYPZZERHP-CQSZACIVSA-N 2 0 243.439 1.879 10 0 BDAERP C(C[C@@H]1CCC[NH2+]1)C[N@@H+]1CCCOCC1 ZINC000061918679 188184241 /nfs/dbraw/zinc/18/42/41/188184241.db2.gz BRIASQJCYMTVTH-LBPRGKRZSA-N 2 0 212.337 1.241 10 0 BDAERP CSC[C@H](C)[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000128128936 353283099 /nfs/dbraw/zinc/28/30/99/353283099.db2.gz XMBMGVAAJZIDRG-ZJUUUORDSA-N 2 0 202.367 1.422 10 0 BDAERP COc1ccc([C@@H]2C[NH2+]CC[C@@H]2[NH3+])cc1 ZINC000211544271 353717659 /nfs/dbraw/zinc/71/76/59/353717659.db2.gz OJFLHQIKOUJJIH-RYUDHWBXSA-N 2 0 206.289 1.099 10 0 BDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1C/C=C\C[NH3+] ZINC000308078058 353767146 /nfs/dbraw/zinc/76/71/46/353767146.db2.gz APSZLGCSQMPINC-QKMQQOOLSA-N 2 0 200.351 1.327 10 0 BDAERP C/C(=C/Cl)CN1CC[NH2+]CC[C@H]1C ZINC000308115813 354016735 /nfs/dbraw/zinc/01/67/35/354016735.db2.gz YBBRRGXZSIIKJF-UJICNMFASA-N 2 0 202.729 1.813 10 0 BDAERP Cc1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000630079157 363286763 /nfs/dbraw/zinc/28/67/63/363286763.db2.gz WRHOOQVQPLXPQK-WPRPVWTQSA-N 2 0 209.293 1.010 10 0 BDAERP COC(C)(C)[C@H](C)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000301039089 363358724 /nfs/dbraw/zinc/35/87/24/363358724.db2.gz YLUAWSJQJYKHQJ-KXUCPTDWSA-N 2 0 200.326 1.079 10 0 BDAERP NC(=[NH2+])c1ccccc1OCCC[NH+]1CCCC1 ZINC000049333024 181196234 /nfs/dbraw/zinc/19/62/34/181196234.db2.gz PSPQCMBXMLTJFP-UHFFFAOYSA-N 2 0 247.342 1.835 10 0 BDAERP [NH2+]=c1ccn(CCCCn2ccc(=[NH2+])cc2)cc1 ZINC000029250139 181210320 /nfs/dbraw/zinc/21/03/20/181210320.db2.gz AOSKXNLOPVNIEN-UHFFFAOYSA-N 2 0 242.326 1.729 10 0 BDAERP C[C@@H]1COC[C@@H](C)[NH+]1CC[C@H]1CCC[NH2+]C1 ZINC000420303500 192206630 /nfs/dbraw/zinc/20/66/30/192206630.db2.gz NNZRWZVRPPWAGS-JHJVBQTASA-N 2 0 226.364 1.485 10 0 BDAERP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000384368499 356626462 /nfs/dbraw/zinc/62/64/62/356626462.db2.gz JKNRWHIXJQXKGQ-MCIONIFRSA-N 2 0 240.391 1.611 10 0 BDAERP CC[N@H+](C)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059518 538484313 /nfs/dbraw/zinc/48/43/13/538484313.db2.gz QZXYOCUNPSAVKR-AWEZNQCLSA-N 2 0 234.343 1.317 10 0 BDAERP CC[NH+](CC)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059143 538483663 /nfs/dbraw/zinc/48/36/63/538483663.db2.gz LFPSABKDWPSSLL-HNNXBMFYSA-N 2 0 248.370 1.708 10 0 BDAERP CCC[NH+](CCC)Cc1c(C[NH3+])cnn1C ZINC000675055879 538477316 /nfs/dbraw/zinc/47/73/16/538477316.db2.gz AYLAMAGCJNXCLB-UHFFFAOYSA-N 2 0 224.352 1.501 10 0 BDAERP CC(C)[N@H+](C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080494 538519466 /nfs/dbraw/zinc/51/94/66/538519466.db2.gz RVBNTZBVYFGHSR-WDEREUQCSA-N 2 0 212.337 1.223 10 0 BDAERP C[C@@H]1C[NH+](CC2(C[NH3+])CC2)C[C@@H](C)S1 ZINC000168788672 357233088 /nfs/dbraw/zinc/23/30/88/357233088.db2.gz MQJQRHOWBUQZFU-NXEZZACHSA-N 2 0 214.378 1.551 10 0 BDAERP CC(C)C[C@@H](CO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168734999 134248007 /nfs/dbraw/zinc/24/80/07/134248007.db2.gz BLOOEDQOQZDKLB-RYUDHWBXSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@H](NCC1([NH+](C)C)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578348083 366530872 /nfs/dbraw/zinc/53/08/72/366530872.db2.gz GSWCFEMLRNJRLZ-STQMWFEESA-N 2 0 239.407 1.448 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCSCC1 ZINC000306213420 359307083 /nfs/dbraw/zinc/30/70/83/359307083.db2.gz WVOUINUJHBDIDN-MWLCHTKSSA-N 2 0 214.378 1.470 10 0 BDAERP C[C@@H]1[C@H]([NH3+])CC[N@H+](CCC(F)F)[C@@H]1C ZINC000306219528 359338275 /nfs/dbraw/zinc/33/82/75/359338275.db2.gz MXWGVILITJHOEH-DJLDLDEBSA-N 2 0 206.280 1.699 10 0 BDAERP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCSC2)[C@@H](C)C1 ZINC000231355373 359905535 /nfs/dbraw/zinc/90/55/35/359905535.db2.gz RNWVIHWQDWKLHH-HBNTYKKESA-N 2 0 214.378 1.564 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@H]([NH3+])C1 ZINC000306496150 360222942 /nfs/dbraw/zinc/22/29/42/360222942.db2.gz XDNVKGCJSCKKQQ-QEYWKRMJSA-N 2 0 200.351 1.350 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@H]([NH3+])C1 ZINC000306496151 360223121 /nfs/dbraw/zinc/22/31/21/360223121.db2.gz XDNVKGCJSCKKQQ-XKNYDFJKSA-N 2 0 200.351 1.350 10 0 BDAERP C[NH2+]C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000231427873 360335384 /nfs/dbraw/zinc/33/53/84/360335384.db2.gz PNNVPASSYCAKKU-JTQLQIEISA-N 2 0 200.351 1.176 10 0 BDAERP C[C@H]1CSCCN1C1(C[NH3+])CCCC1 ZINC000069760723 360408364 /nfs/dbraw/zinc/40/83/64/360408364.db2.gz SCPFXICFKSYCED-JTQLQIEISA-N 2 0 214.378 1.695 10 0 BDAERP CSC1CC[NH+]([C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000300809332 360513672 /nfs/dbraw/zinc/51/36/72/360513672.db2.gz GWQGXPMEDFEQFB-NXEZZACHSA-N 2 0 214.378 1.694 10 0 BDAERP C[C@@H]([NH2+]CC[C@H](C)CCO)[C@H]1CCC[NH2+]C1 ZINC000578994704 366689987 /nfs/dbraw/zinc/68/99/87/366689987.db2.gz KOWCNZBUUQQIOQ-XQQFMLRXSA-N 2 0 228.380 1.373 10 0 BDAERP FC1(F)C[C@H]1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000622044063 370675805 /nfs/dbraw/zinc/67/58/05/370675805.db2.gz SZXRTCIOKAMTFO-ZJUUUORDSA-N 2 0 218.291 1.763 10 0 BDAERP [NH3+]C1(C[NH2+]C[C@@H]2CCCCO2)CCCCC1 ZINC000042825501 181332466 /nfs/dbraw/zinc/33/24/66/181332466.db2.gz HAMMNRJEDFBBLP-LBPRGKRZSA-N 2 0 226.364 1.807 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000629549607 361441362 /nfs/dbraw/zinc/44/13/62/361441362.db2.gz SOHUCWQWUJYFEO-TYUFSLCMSA-N 2 0 224.348 1.413 10 0 BDAERP C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000448549107 201216543 /nfs/dbraw/zinc/21/65/43/201216543.db2.gz XABXSVSPFBUMQA-AGIUHOORSA-N 2 0 226.364 1.316 10 0 BDAERP [NH3+]C1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000095077313 181340438 /nfs/dbraw/zinc/34/04/38/181340438.db2.gz SKKIAZTZDPDVBH-UHFFFAOYSA-N 2 0 216.328 2.000 10 0 BDAERP [NH3+]C1CCC([NH2+]CC(=O)c2ccco2)CC1 ZINC000095072132 181341324 /nfs/dbraw/zinc/34/13/24/181341324.db2.gz MMRZAZCGNYKUMD-UHFFFAOYSA-N 2 0 222.288 1.322 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000094089165 181342361 /nfs/dbraw/zinc/34/23/61/181342361.db2.gz XCHRSRVDJDKVOM-GCZXYKMCSA-N 2 0 232.327 1.980 10 0 BDAERP C[C@H](C[NH+](C)C)NC1=[NH+][C@@H](C)CS1 ZINC000130674742 364016254 /nfs/dbraw/zinc/01/62/54/364016254.db2.gz QBQVVXDPBZPXOR-SFYZADRCSA-N 2 0 201.339 1.017 10 0 BDAERP C[C@@H](C[NH+](C)C)NC1=[NH+]C[C@@H](C)CS1 ZINC000130677534 364023806 /nfs/dbraw/zinc/02/38/06/364023806.db2.gz NQZZWCXAQMYTNE-BDAKNGLRSA-N 2 0 215.366 1.265 10 0 BDAERP CO[C@H]1C[N@H+](CC2CC=CC2)[C@@](C)(C[NH3+])C1 ZINC000630365431 364083268 /nfs/dbraw/zinc/08/32/68/364083268.db2.gz HXPLHXSZMPNYMF-CHWSQXEVSA-N 2 0 224.348 1.391 10 0 BDAERP CO[C@@H]1C[N@H+](CC2CC=CC2)[C@@](C)(C[NH3+])C1 ZINC000630365433 364083619 /nfs/dbraw/zinc/08/36/19/364083619.db2.gz HXPLHXSZMPNYMF-QWHCGFSZSA-N 2 0 224.348 1.391 10 0 BDAERP CC1CC[NH+]([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264549 541337526 /nfs/dbraw/zinc/33/75/26/541337526.db2.gz VIBHMFLHLRZEHD-OLZOCXBDSA-N 2 0 238.375 1.615 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCC[C@@H](CO)C2)CCCCC1 ZINC000051206156 181359321 /nfs/dbraw/zinc/35/93/21/181359321.db2.gz UREPYCKCUYUGBG-CYBMUJFWSA-N 2 0 240.391 1.600 10 0 BDAERP CC[C@@H]1C[NH+](C[C@H]2C[C@H]([NH3+])C2)C[C@@H](CC)O1 ZINC000675054321 541434080 /nfs/dbraw/zinc/43/40/80/541434080.db2.gz RYHWXEQAKKPQEB-FDYHWXHSSA-N 2 0 226.364 1.613 10 0 BDAERP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000574392274 365050910 /nfs/dbraw/zinc/05/09/10/365050910.db2.gz LAWZFFDSOMYVQW-NOOOWODRSA-N 2 0 246.420 1.077 10 0 BDAERP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000574391321 365051433 /nfs/dbraw/zinc/05/14/33/365051433.db2.gz QERUVCLSARSOQO-YNEHKIRRSA-N 2 0 242.407 1.761 10 0 BDAERP Nc1ccc(NCC[NH3+])c2cc[nH+]cc12 ZINC000052815329 181398169 /nfs/dbraw/zinc/39/81/69/181398169.db2.gz SKCJRHWSXDWJOA-UHFFFAOYSA-N 2 0 202.261 1.188 10 0 BDAERP CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575850752 365384442 /nfs/dbraw/zinc/38/44/42/365384442.db2.gz XCXIWOOOAAINNI-IACUBPJLSA-N 2 0 242.407 1.761 10 0 BDAERP C[C@H](CC[NH+](C)C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000576209064 365521316 /nfs/dbraw/zinc/52/13/16/365521316.db2.gz OJKYJZPVXVLEMT-UPJWGTAASA-N 2 0 227.396 1.304 10 0 BDAERP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000581608619 367632362 /nfs/dbraw/zinc/63/23/62/367632362.db2.gz ZOCNNVWHFMUDEG-WYUUTHIRSA-N 2 0 212.337 1.142 10 0 BDAERP C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000566088735 325992382 /nfs/dbraw/zinc/99/23/82/325992382.db2.gz DJNVZUNBILFKEK-FPMFFAJLSA-N 2 0 240.391 1.515 10 0 BDAERP CCC[N@H+](CC)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581937822 367964166 /nfs/dbraw/zinc/96/41/66/367964166.db2.gz UWYWTUDBHYAZPF-UONOGXRCSA-N 2 0 241.423 1.696 10 0 BDAERP CCC[N@H+](CC)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581937820 367964388 /nfs/dbraw/zinc/96/43/88/367964388.db2.gz UWYWTUDBHYAZPF-KBPBESRZSA-N 2 0 241.423 1.696 10 0 BDAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000252842411 368163641 /nfs/dbraw/zinc/16/36/41/368163641.db2.gz COJAZENALVBDCJ-AXFHLTTASA-N 2 0 200.326 1.081 10 0 BDAERP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CCS[C@H](C)C1 ZINC000252982278 368176434 /nfs/dbraw/zinc/17/64/34/368176434.db2.gz VQPCVRMZWCQBNL-OUAUKWLOSA-N 2 0 214.378 1.422 10 0 BDAERP [NH3+]CCN1C[C@@H](c2c[nH]cn2)Nc2ccccc21 ZINC000616693752 369115647 /nfs/dbraw/zinc/11/56/47/369115647.db2.gz XUXLHUBDLQAUJW-LBPRGKRZSA-N 2 0 243.314 1.342 10 0 BDAERP C[C@H]([NH2+][C@H]1CSC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000568868845 326378736 /nfs/dbraw/zinc/37/87/36/326378736.db2.gz UWPNWJGDMRPROX-DCAQKATOSA-N 2 0 228.405 1.858 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]1C[N@@H+]1CCCSCC1 ZINC000053879802 181584656 /nfs/dbraw/zinc/58/46/56/181584656.db2.gz DRUFWMVZHWGVDP-WDEREUQCSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1[C@@H]1CC[C@H]([NH3+])C1 ZINC000132792331 371923832 /nfs/dbraw/zinc/92/38/32/371923832.db2.gz LOMGLRAUQAZDOU-VPOLOUISSA-N 2 0 214.378 1.692 10 0 BDAERP C[C@@H](C[NH+](C)C)NC1=[NH+][C@H](C)CCS1 ZINC000133740261 372099220 /nfs/dbraw/zinc/09/92/20/372099220.db2.gz NQBBEAXKWZFFAF-BDAKNGLRSA-N 2 0 215.366 1.408 10 0 BDAERP COCc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838893 372634492 /nfs/dbraw/zinc/63/44/92/372634492.db2.gz WNLLCTYAIKEGJR-WFASDCNBSA-N 2 0 248.370 1.860 10 0 BDAERP CC(C)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862983 372665192 /nfs/dbraw/zinc/66/51/92/372665192.db2.gz VWLFPDQRYUKKSQ-LLVKDONJSA-N 2 0 214.353 1.077 10 0 BDAERP CCCC[C@H](C[NH3+])N(C)C1CC[NH+](CC)CC1 ZINC000042615614 169002294 /nfs/dbraw/zinc/00/22/94/169002294.db2.gz SIXRAYBWJBJTJU-CQSZACIVSA-N 2 0 241.423 1.920 10 0 BDAERP CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000037097929 169085733 /nfs/dbraw/zinc/08/57/33/169085733.db2.gz SJSGTWQZMNILRK-NSHDSACASA-N 2 0 249.358 1.814 10 0 BDAERP O[C@]12CCCC[C@@H]1C[N@H+](CCn1ccnc1)CC2 ZINC000160823969 183252644 /nfs/dbraw/zinc/25/26/44/183252644.db2.gz JTMVGIDWAWFNEJ-KGLIPLIRSA-N 2 0 249.358 1.510 10 0 BDAERP CCC[N@H+](CC[C@H](C[NH3+])OCC)CCN(C)C ZINC000062741207 169170475 /nfs/dbraw/zinc/17/04/75/169170475.db2.gz PWAPBKRBODMHDN-CYBMUJFWSA-N 2 0 245.411 1.014 10 0 BDAERP CCC[N@H+](CC[C@@H](C[NH3+])OCC)CCN(C)C ZINC000062741206 169171290 /nfs/dbraw/zinc/17/12/90/169171290.db2.gz PWAPBKRBODMHDN-ZDUSSCGKSA-N 2 0 245.411 1.014 10 0 BDAERP CCC[NH+]1CCC(C[NH3+])(N(C)C(C)C)CC1 ZINC000019518829 169186478 /nfs/dbraw/zinc/18/64/78/169186478.db2.gz PXIQFJFYQWNNPQ-UHFFFAOYSA-N 2 0 227.396 1.530 10 0 BDAERP CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000037689500 169255693 /nfs/dbraw/zinc/25/56/93/169255693.db2.gz BGOFCSZSLHVEJR-CHWSQXEVSA-N 2 0 226.364 1.364 10 0 BDAERP CCC[NH2+]C1CCN(C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000037647605 169255697 /nfs/dbraw/zinc/25/56/97/169255697.db2.gz FEHQXKJVHFKRRU-CYBMUJFWSA-N 2 0 239.407 1.402 10 0 BDAERP CCC[NH2+]CCCC[NH2+]CCCC[NH3+] ZINC000013522158 169256452 /nfs/dbraw/zinc/25/64/52/169256452.db2.gz RBRIPAXVKKFZJB-UHFFFAOYSA-N 3 0 201.358 1.095 10 0 BDAERP CCC[NH2+]C[C@H](C)C[NH+](CCOC)CCOC ZINC000052571368 169263947 /nfs/dbraw/zinc/26/39/47/169263947.db2.gz ZUXVMVYRSMCFMC-ZDUSSCGKSA-N 2 0 246.395 1.217 10 0 BDAERP CCC[NH2+]C[C@H]1CCN([C@@H](C)CC[NH+](C)C)C1 ZINC000053032731 169264742 /nfs/dbraw/zinc/26/47/42/169264742.db2.gz WKGREPIALNFHOV-UONOGXRCSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@H]1CC[N@H+](CCCC[NH+](C)C)C1 ZINC000053034561 169264861 /nfs/dbraw/zinc/26/48/61/169264861.db2.gz JKPMTPRFDZPJKH-CQSZACIVSA-N 3 0 241.423 1.650 10 0 BDAERP CCCO[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000042422760 169311796 /nfs/dbraw/zinc/31/17/96/169311796.db2.gz KUYPRTTZEVAHGC-ZDUSSCGKSA-N 2 0 226.364 1.629 10 0 BDAERP CCC[NH2+][C@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000040715859 169291442 /nfs/dbraw/zinc/29/14/42/169291442.db2.gz PSNFSOTYRUOTQR-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965330 169292076 /nfs/dbraw/zinc/29/20/76/169292076.db2.gz QQILBCFSXQFRNP-IHRRRGAJSA-N 2 0 239.407 1.543 10 0 BDAERP c1ccc2c(c1)OC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000094010498 183452588 /nfs/dbraw/zinc/45/25/88/183452588.db2.gz MCWUMTKDCYNPRA-ZDUSSCGKSA-N 2 0 232.327 1.709 10 0 BDAERP CCC[C@@H](C)[C@H](C[NH3+])N1CCn2ccnc2C1 ZINC000062248911 169373146 /nfs/dbraw/zinc/37/31/46/169373146.db2.gz BWWHEUKTVDHJLO-NEPJUHHUSA-N 2 0 236.363 1.462 10 0 BDAERP CCC[C@@H]([NH3+])[C@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000036170895 169392643 /nfs/dbraw/zinc/39/26/43/169392643.db2.gz BRDZQRNIGFTPLM-KGLIPLIRSA-N 2 0 241.423 1.918 10 0 BDAERP COC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC1(C)C ZINC000409434784 383839585 /nfs/dbraw/zinc/83/95/85/383839585.db2.gz QOJFTTUACGZRKE-LLVKDONJSA-N 2 0 226.364 1.343 10 0 BDAERP C[C@@H]1C[C@@]2(CC[N@@H+]1C)NCCCS2 ZINC000156984323 384101850 /nfs/dbraw/zinc/10/18/50/384101850.db2.gz JDOPQBNBZPLYHI-ZJUUUORDSA-N 2 0 200.351 1.523 10 0 BDAERP C[NH2+][C@@H](CCO)C1CN(Cc2ccccc2)C1 ZINC000095075736 384350369 /nfs/dbraw/zinc/35/03/69/384350369.db2.gz PQVDJYURGZXFJL-AWEZNQCLSA-N 2 0 234.343 1.089 10 0 BDAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc[nH]1 ZINC000095068250 384328874 /nfs/dbraw/zinc/32/88/74/384328874.db2.gz HVCYJXIVDRWBNC-KPPDAEKUSA-N 2 0 207.321 1.935 10 0 BDAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])C1CC1 ZINC000011848771 384617826 /nfs/dbraw/zinc/61/78/26/384617826.db2.gz YDHOYJVNZXEPIL-LBPRGKRZSA-N 2 0 207.321 1.460 10 0 BDAERP CC(C)C[C@H](CO)[NH2+]C1CCC([NH3+])CC1 ZINC000086729199 384679336 /nfs/dbraw/zinc/67/93/36/384679336.db2.gz UNAZMICCBKIGQO-HTAVTVPLSA-N 2 0 214.353 1.253 10 0 BDAERP FC(F)OCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000398244983 384863025 /nfs/dbraw/zinc/86/30/25/384863025.db2.gz CRBHNNKJMMJGRA-VIFPVBQESA-N 2 0 222.279 1.347 10 0 BDAERP Cc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000258879657 384952163 /nfs/dbraw/zinc/95/21/63/384952163.db2.gz KJCDZXNVMWNWJV-ZDUSSCGKSA-N 2 0 204.317 1.694 10 0 BDAERP Cc1ccsc1CC[NH2+]C1CC[NH2+]CC1 ZINC000259039986 384953062 /nfs/dbraw/zinc/95/30/62/384953062.db2.gz PFVODTNBJHUDGG-UHFFFAOYSA-N 2 0 224.373 1.941 10 0 BDAERP CCSCC[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000309054098 385386143 /nfs/dbraw/zinc/38/61/43/385386143.db2.gz SRFGFKFWZRBQFB-VIFPVBQESA-N 2 0 225.361 1.610 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000259453141 385464378 /nfs/dbraw/zinc/46/43/78/385464378.db2.gz QNTAUXPCWWQBAM-SECBINFHSA-N 2 0 202.660 1.828 10 0 BDAERP C[C@H]1C[NH2+]CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000258093473 385537138 /nfs/dbraw/zinc/53/71/38/385537138.db2.gz KJGDTWZLCFUXGF-VHSXEESVSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000309397823 385562381 /nfs/dbraw/zinc/56/23/81/385562381.db2.gz TWUJXHJPUUPVPE-AGIUHOORSA-N 2 0 228.380 1.645 10 0 BDAERP C[C@H]([C@H]1CC[NH2+]C1)[NH+]1CCSCC1 ZINC000306760391 385713215 /nfs/dbraw/zinc/71/32/15/385713215.db2.gz AFTJMFIOVCYJIS-ZJUUUORDSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@@H]1SCC[C@@H]1[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000307128795 385928103 /nfs/dbraw/zinc/92/81/03/385928103.db2.gz DMLJYOZOMSHUOH-XKNYDFJKSA-N 2 0 200.351 1.302 10 0 BDAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(O)cc(O)c1 ZINC000575438696 387132546 /nfs/dbraw/zinc/13/25/46/387132546.db2.gz ABXOVYBQXVFRSH-LLVKDONJSA-N 2 0 210.277 1.227 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1cc2c(cc1Cl)OCO2 ZINC000575438017 387112262 /nfs/dbraw/zinc/11/22/62/387112262.db2.gz BUZJOHYFSNCSNO-SECBINFHSA-N 2 0 242.706 1.807 10 0 BDAERP COc1cc(F)ccc1[C@@H]([NH3+])CCC[NH3+] ZINC000575439632 387123095 /nfs/dbraw/zinc/12/30/95/387123095.db2.gz WSVOQGFQSQPGPJ-JTQLQIEISA-N 2 0 212.268 1.573 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cccc(F)c1Cl ZINC000575440234 387127109 /nfs/dbraw/zinc/12/71/09/387127109.db2.gz WLNRXCIIBKWPHE-MRVPVSSYSA-N 2 0 202.660 1.828 10 0 BDAERP COc1cc(F)ccc1[C@H]([NH3+])CCC[NH3+] ZINC000575440237 387128175 /nfs/dbraw/zinc/12/81/75/387128175.db2.gz WSVOQGFQSQPGPJ-SNVBAGLBSA-N 2 0 212.268 1.573 10 0 BDAERP COc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1O ZINC000575438344 387129425 /nfs/dbraw/zinc/12/94/25/387129425.db2.gz IUHHTYVORSNGLM-JTQLQIEISA-N 2 0 224.304 1.530 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1ccc2cc[nH]c2c1 ZINC000575438279 387129431 /nfs/dbraw/zinc/12/94/31/387129431.db2.gz GTTADJXHTWKQDC-NSHDSACASA-N 2 0 203.289 1.907 10 0 BDAERP CCCCOCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000229341824 387173090 /nfs/dbraw/zinc/17/30/90/387173090.db2.gz WHIIGINXNVOCKZ-CYBMUJFWSA-N 2 0 228.380 1.925 10 0 BDAERP O[C@@]1(C2C[NH2+]C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000306493009 387217608 /nfs/dbraw/zinc/21/76/08/387217608.db2.gz YKEMCNPFJJXPJU-HNNXBMFYSA-N 2 0 246.354 1.233 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000643454659 387385473 /nfs/dbraw/zinc/38/54/73/387385473.db2.gz LDXCZWQCGPSSJG-RWMBFGLXSA-N 2 0 237.391 1.201 10 0 BDAERP CC(C)(C)[C@@H](O)C[NH2+]C1CCC([NH3+])CC1 ZINC000324604802 387467208 /nfs/dbraw/zinc/46/72/08/387467208.db2.gz KADIJRWRMKGZRC-ILDUYXDCSA-N 2 0 214.353 1.253 10 0 BDAERP C[C@]12C[NH2+]C[C@@H]1CN(C/C=C/Cl)C2 ZINC000575559714 387702365 /nfs/dbraw/zinc/70/23/65/387702365.db2.gz WZYHCOVTIWEQTB-HLKOZVMDSA-N 2 0 200.713 1.280 10 0 BDAERP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643459129 387831227 /nfs/dbraw/zinc/83/12/27/387831227.db2.gz BCVANIZKEUJYAX-KBPBESRZSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423102668 387888373 /nfs/dbraw/zinc/88/83/73/387888373.db2.gz OLKBTHXLBLRUHC-BYNQJWBRSA-N 2 0 240.391 1.920 10 0 BDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2CC2)CC1 ZINC000156185112 387934415 /nfs/dbraw/zinc/93/44/15/387934415.db2.gz LLFCURKEIMRNKS-LBPRGKRZSA-N 2 0 240.391 1.421 10 0 BDAERP C[C@@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000643480622 387935946 /nfs/dbraw/zinc/93/59/46/387935946.db2.gz IBQXRAVOAAXYBA-VXGBXAGGSA-N 2 0 226.364 1.127 10 0 BDAERP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643480774 387942900 /nfs/dbraw/zinc/94/29/00/387942900.db2.gz FFLQMZPUPRSJNR-RYUDHWBXSA-N 2 0 214.353 1.389 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH2+]C1 ZINC000086724680 388108330 /nfs/dbraw/zinc/10/83/30/388108330.db2.gz DUSAGAPADCQHOE-CHWSQXEVSA-N 2 0 225.380 1.202 10 0 BDAERP CC(C)C[C@H]([NH3+])CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086933088 388111181 /nfs/dbraw/zinc/11/11/81/388111181.db2.gz WRAHSUAYUPGDRC-QWHCGFSZSA-N 2 0 225.380 1.140 10 0 BDAERP Cc1cncc(CN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050116 388346942 /nfs/dbraw/zinc/34/69/42/388346942.db2.gz XIZKWSCYUIOJBY-CMPLNLGQSA-N 2 0 205.305 1.169 10 0 BDAERP FC1(F)CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000335025363 388446864 /nfs/dbraw/zinc/44/68/64/388446864.db2.gz JIHPGARPRBAOTG-VIFPVBQESA-N 2 0 204.264 1.516 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCS1)[C@@H]1CCC[NH2+]C1 ZINC000573234936 388435321 /nfs/dbraw/zinc/43/53/21/388435321.db2.gz WWVJRWSUGYAQFC-TUAOUCFPSA-N 2 0 228.405 1.860 10 0 BDAERP CC[C@@H](C)[C@H](C[NH2+]C1CCC([NH3+])CC1)OC ZINC000362974588 388562258 /nfs/dbraw/zinc/56/22/58/388562258.db2.gz BHGIIXUGIAECJN-XVSSEFHLSA-N 2 0 228.380 1.907 10 0 BDAERP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC000521858999 388634360 /nfs/dbraw/zinc/63/43/60/388634360.db2.gz MCSIPWLQBLQQJF-YFKTTZPYSA-N 2 0 226.364 1.124 10 0 BDAERP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000564714129 388886065 /nfs/dbraw/zinc/88/60/65/388886065.db2.gz VRPTVORUFPEGSU-KGLIPLIRSA-N 2 0 247.386 1.910 10 0 BDAERP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566056408 388985784 /nfs/dbraw/zinc/98/57/84/388985784.db2.gz ZNSUORGABOVFSM-CHWSQXEVSA-N 2 0 228.380 1.779 10 0 BDAERP C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400390085 533380526 /nfs/dbraw/zinc/38/05/26/533380526.db2.gz ZMNRIJSCOUEATC-KGLIPLIRSA-N 2 0 239.407 1.450 10 0 BDAERP CC(C)[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000020266237 132330760 /nfs/dbraw/zinc/33/07/60/132330760.db2.gz PAZIPUGREHSGDD-UHFFFAOYSA-N 2 0 233.359 1.676 10 0 BDAERP C[NH+](C)CC1CCN(c2cc[nH+]cc2N)CC1 ZINC000042392983 132351061 /nfs/dbraw/zinc/35/10/61/132351061.db2.gz LWDYJJAWFVKZCJ-UHFFFAOYSA-N 2 0 234.347 1.442 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000071560188 132394656 /nfs/dbraw/zinc/39/46/56/132394656.db2.gz MRJBUNZFLMZWFS-ZFWWWQNUSA-N 2 0 245.370 1.688 10 0 BDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H](C)O ZINC000251231131 135067267 /nfs/dbraw/zinc/06/72/67/135067267.db2.gz QGTCGHSVMQFRPD-FRRDWIJNSA-N 2 0 228.380 1.658 10 0 BDAERP CC(C)C[C@H]([NH3+])CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251410530 135069290 /nfs/dbraw/zinc/06/92/90/135069290.db2.gz NSRZJTPUUCNZHM-KBPBESRZSA-N 2 0 239.407 1.530 10 0 BDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1CCCCCC1 ZINC000262069749 135276462 /nfs/dbraw/zinc/27/64/62/135276462.db2.gz BZLVTNNNLHSCIB-CHWSQXEVSA-N 2 0 226.364 1.127 10 0 BDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](CC)CC ZINC000262128190 135280293 /nfs/dbraw/zinc/28/02/93/135280293.db2.gz JZFSRKSQRGXIGF-SDDRHHMPSA-N 2 0 243.395 1.206 10 0 BDAERP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000263205606 135339323 /nfs/dbraw/zinc/33/93/23/135339323.db2.gz JQDFDNOIJXMAQX-XJFOESAGSA-N 2 0 240.391 1.373 10 0 BDAERP Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089150481 135532091 /nfs/dbraw/zinc/53/20/91/135532091.db2.gz WCPBTCYJIVNTLD-DGCLKSJQSA-N 2 0 236.363 1.368 10 0 BDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000054071610 322855216 /nfs/dbraw/zinc/85/52/16/322855216.db2.gz RMNCPBVKYNJEOX-NWDGAFQWSA-N 2 0 243.395 1.221 10 0 BDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])C(C)C ZINC000037825153 166956176 /nfs/dbraw/zinc/95/61/76/166956176.db2.gz HQQOOLWYIMYLFY-GFCCVEGCSA-N 2 0 243.395 1.016 10 0 BDAERP C[C@H](C[NH3+])C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000307296914 398063057 /nfs/dbraw/zinc/06/30/57/398063057.db2.gz RKKOMYCZVYTMOE-ZJUUUORDSA-N 2 0 245.367 1.084 10 0 BDAERP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262107148 487588818 /nfs/dbraw/zinc/58/88/18/487588818.db2.gz JSPXPFFKWPZHGA-NDBYEHHHSA-N 2 0 240.391 1.371 10 0 BDAERP C[C@H]1CCC[C@@H](C[NH2+]C2CCC([NH3+])CC2)O1 ZINC000665265091 410737004 /nfs/dbraw/zinc/73/70/04/410737004.db2.gz OZOCEWCOKFKSIL-WTIISPKJSA-N 2 0 226.364 1.804 10 0 BDAERP C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809203 410893965 /nfs/dbraw/zinc/89/39/65/410893965.db2.gz WAYNNTYYIRGAJX-YPMHNXCESA-N 2 0 249.358 1.143 10 0 BDAERP CC(C)N1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000051694631 167024379 /nfs/dbraw/zinc/02/43/79/167024379.db2.gz RNVBAFWZKKMXIM-BPCQOVAHSA-N 2 0 225.380 1.329 10 0 BDAERP CC(C)[N@@H+]1CC[C@H](N2CCCC[C@@H]2C[NH3+])C1 ZINC000045659849 167024945 /nfs/dbraw/zinc/02/49/45/167024945.db2.gz PHPARFDDGFWEDT-OLZOCXBDSA-N 2 0 225.380 1.282 10 0 BDAERP CC(C)[N@@H+]1CC[C@](C[NH3+])(N(C)CC2CCC2)C1 ZINC000061455220 167026986 /nfs/dbraw/zinc/02/69/86/167026986.db2.gz HQTCBRFSNRMXKM-CQSZACIVSA-N 2 0 239.407 1.530 10 0 BDAERP CC(C)[NH2+]CC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000104412952 167099142 /nfs/dbraw/zinc/09/91/42/167099142.db2.gz MJZSOMVNTVXZML-UONOGXRCSA-N 2 0 240.391 1.610 10 0 BDAERP CC(C)[NH2+]CCCC[NH+]1CCN(C(C)C)CC1 ZINC000037634949 167102027 /nfs/dbraw/zinc/10/20/27/167102027.db2.gz ZVOIAXPAAOEPGB-UHFFFAOYSA-N 2 0 241.423 1.791 10 0 BDAERP CC(C)[NH2+]C[C@H](C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000070073324 167113267 /nfs/dbraw/zinc/11/32/67/167113267.db2.gz PPOYMVVCUXQABR-KBPBESRZSA-N 2 0 242.407 1.979 10 0 BDAERP CC(C)[NH2+]C[C@H]1CCN([C@@H]2CC[N@H+](C)C2)C1 ZINC000053031653 167115582 /nfs/dbraw/zinc/11/55/82/167115582.db2.gz PPAWVMOHGZEENO-CHWSQXEVSA-N 2 0 225.380 1.010 10 0 BDAERP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000656193921 411199919 /nfs/dbraw/zinc/19/99/19/411199919.db2.gz YPOQGPOFESNZBN-RDBSUJKOSA-N 2 0 247.386 1.990 10 0 BDAERP C[C@H]([NH2+]C1CC(CO)C1)C1CC[NH+](C)CC1 ZINC000658351047 411352206 /nfs/dbraw/zinc/35/22/06/411352206.db2.gz KHZVAVWKQDPAGU-ZBOXLXRLSA-N 2 0 226.364 1.077 10 0 BDAERP CC1CCC(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000313391746 168154179 /nfs/dbraw/zinc/15/41/79/168154179.db2.gz VJTBMKDKROGKSH-JXQTWKCFSA-N 2 0 240.391 1.862 10 0 BDAERP CC1CC[NH+](C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000051207829 168182968 /nfs/dbraw/zinc/18/29/68/168182968.db2.gz VOHYJLJHNNPRKT-LBPRGKRZSA-N 2 0 212.337 1.084 10 0 BDAERP CC1CCN([C@]2(C[NH3+])CC[N@@H+](C3CC3)C2)CC1 ZINC000061989990 168187980 /nfs/dbraw/zinc/18/79/80/168187980.db2.gz WERWPKIPKDOBAW-AWEZNQCLSA-N 2 0 237.391 1.284 10 0 BDAERP CCO[C@@H]1CN(c2cc[nH+]c(C)c2)C[C@H]1C[NH3+] ZINC000405545660 411434440 /nfs/dbraw/zinc/43/44/40/411434440.db2.gz WBAPZAQRHZYKFX-DGCLKSJQSA-N 2 0 235.331 1.190 10 0 BDAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1C ZINC000657326640 411465868 /nfs/dbraw/zinc/46/58/68/411465868.db2.gz QSHTYJJVYTUNRM-ZYHUDNBSSA-N 2 0 223.320 1.122 10 0 BDAERP CC[N@@H+]1CC[C@H](C[NH2+]CCCn2ccnc2)C1 ZINC000049327983 170014906 /nfs/dbraw/zinc/01/49/06/170014906.db2.gz OUQUVEQPWYXYHK-CYBMUJFWSA-N 2 0 236.363 1.205 10 0 BDAERP CC[N@@H+]1CCc2ccccc2[C@H]1CC[NH3+] ZINC000011802510 170024823 /nfs/dbraw/zinc/02/48/23/170024823.db2.gz HHMKRRDOOPRYOB-CYBMUJFWSA-N 2 0 204.317 1.955 10 0 BDAERP CC[NH2+]C(C)(C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000104181861 170107731 /nfs/dbraw/zinc/10/77/31/170107731.db2.gz YOEDIVSVOSEHSF-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH2+]C[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000053648540 170122375 /nfs/dbraw/zinc/12/23/75/170122375.db2.gz MRAYBGPVWLNFJQ-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP CC[NH2+]Cc1cc(C[N@H+](C)CCCOC)on1 ZINC000062035997 170125584 /nfs/dbraw/zinc/12/55/84/170125584.db2.gz SMUIBNCITWTRTQ-UHFFFAOYSA-N 2 0 241.335 1.252 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818332 170150272 /nfs/dbraw/zinc/15/02/72/170150272.db2.gz HLTLZXRCLWOTFQ-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810838 170150955 /nfs/dbraw/zinc/15/09/55/170150955.db2.gz UQPBQQAIGFDXCE-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@H+](CC)CCO ZINC000053869607 170168450 /nfs/dbraw/zinc/16/84/50/170168450.db2.gz RUKKHNHUGFUSGS-MJBXVCDLSA-N 2 0 242.407 1.715 10 0 BDAERP CCOC1CC[NH+](C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000053870218 170332269 /nfs/dbraw/zinc/33/22/69/170332269.db2.gz WOAJRIPVUPNIKY-WCQYABFASA-N 2 0 226.364 1.615 10 0 BDAERP [NH3+]C[C@@H]1CN(c2nccc3ccccc32)CCO1 ZINC000132070775 411755379 /nfs/dbraw/zinc/75/53/79/411755379.db2.gz XNXMAWNZZVHZQA-GFCCVEGCSA-N 2 0 243.310 1.399 10 0 BDAERP CC[C@@](C)(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]1CO ZINC000051255015 171166322 /nfs/dbraw/zinc/16/63/22/171166322.db2.gz DEOHAHATTGWBSS-KGLIPLIRSA-N 2 0 240.391 1.611 10 0 BDAERP CC[C@@](C)(C[NH3+])C[N@@H+]1CCCOCC1 ZINC000061934577 171166743 /nfs/dbraw/zinc/16/67/43/171166743.db2.gz MONITFDOCVBYCC-NSHDSACASA-N 2 0 200.326 1.084 10 0 BDAERP CC[C@@](C)(C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000036170730 171166877 /nfs/dbraw/zinc/16/68/77/171166877.db2.gz MCQNLZOERGBLFD-LBPRGKRZSA-N 2 0 213.369 1.140 10 0 BDAERP CC[C@@H](C)[C@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064298 171318648 /nfs/dbraw/zinc/31/86/48/171318648.db2.gz KRIZAIQDGLXTLP-RDBSUJKOSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C)[NH+]1CCN(CC[C@H]2CCC[NH2+]2)CC1 ZINC000055083420 171319359 /nfs/dbraw/zinc/31/93/59/171319359.db2.gz QRVYFEDJKMTHHB-UONOGXRCSA-N 2 0 239.407 1.545 10 0 BDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049220379 171396259 /nfs/dbraw/zinc/39/62/59/171396259.db2.gz DSVMDWNROXGCHB-TUAOUCFPSA-N 2 0 243.395 1.062 10 0 BDAERP CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000665235927 412177019 /nfs/dbraw/zinc/17/70/19/412177019.db2.gz CMOGXXISCYLDOZ-CHWSQXEVSA-N 2 0 239.407 1.591 10 0 BDAERP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH2+]CC2)O1 ZINC000665264923 412207070 /nfs/dbraw/zinc/20/70/70/412207070.db2.gz LYFNZZHXDUIVQN-CMPLNLGQSA-N 2 0 212.337 1.286 10 0 BDAERP C[C@H]([NH2+][C@H](CO)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000665235065 412166109 /nfs/dbraw/zinc/16/61/09/412166109.db2.gz PBHHURWQFPDROB-WCFLWFBJSA-N 2 0 226.364 1.125 10 0 BDAERP CC[C@]1(C[NH2+]C[C@@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862857 171723285 /nfs/dbraw/zinc/72/32/85/171723285.db2.gz ZVKYJBKXUHPWJS-KBPBESRZSA-N 2 0 240.391 1.925 10 0 BDAERP CCc1nc2c(c(NCCC[NH3+])n1)CCC2 ZINC000057328796 172009013 /nfs/dbraw/zinc/00/90/13/172009013.db2.gz ZEBUVLOIFYKQSR-UHFFFAOYSA-N 2 0 220.320 1.288 10 0 BDAERP CCn1cc[nH+]c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050608535 172227209 /nfs/dbraw/zinc/22/72/09/172227209.db2.gz UTLVWBGXPNDHCW-NSHDSACASA-N 2 0 234.347 1.799 10 0 BDAERP CCn1cc[nH+]c1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000050614378 172227288 /nfs/dbraw/zinc/22/72/88/172227288.db2.gz KTBDKVSREVTKDA-NXEZZACHSA-N 2 0 208.309 1.585 10 0 BDAERP C[NH+](C)CCCNCCC[NH+]1CCCC1 ZINC000041227190 172440291 /nfs/dbraw/zinc/44/02/91/172440291.db2.gz UDLBPUVVARSTAQ-UHFFFAOYSA-N 2 0 213.369 1.014 10 0 BDAERP C[NH+]1CCC(Oc2ccccc2C(N)=[NH2+])CC1 ZINC000041019238 173000525 /nfs/dbraw/zinc/00/05/25/173000525.db2.gz FLXGAQQYNSCHNE-UHFFFAOYSA-N 2 0 233.315 1.444 10 0 BDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000104357227 173008416 /nfs/dbraw/zinc/00/84/16/173008416.db2.gz IMKIWQWCMYFYMZ-UONOGXRCSA-N 2 0 239.407 1.545 10 0 BDAERP C[N@@H+]1CCCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053864014 173014038 /nfs/dbraw/zinc/01/40/38/173014038.db2.gz IUAFZKBPUZEPNL-KBPBESRZSA-N 2 0 239.407 1.532 10 0 BDAERP C[N@@H+]1CCC[C@H](CNCCC[NH+]2CCCC2)C1 ZINC000044535977 173040693 /nfs/dbraw/zinc/04/06/93/173040693.db2.gz BRQHDQJODMXIAL-CQSZACIVSA-N 2 0 239.407 1.404 10 0 BDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CCO)C1 ZINC000336697140 173054361 /nfs/dbraw/zinc/05/43/61/173054361.db2.gz HVXSSAVIFAXPEG-STQMWFEESA-N 2 0 226.364 1.175 10 0 BDAERP C[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000019771635 173095282 /nfs/dbraw/zinc/09/52/82/173095282.db2.gz PHGWPSSEFGRPDX-CYBMUJFWSA-N 2 0 237.322 1.073 10 0 BDAERP C[N@@H+]1CC[C@@H](n2c(N)nc3c2cccc3F)C1 ZINC000042548534 173127081 /nfs/dbraw/zinc/12/70/81/173127081.db2.gz DHZRHSAPQIOMCP-MRVPVSSYSA-N 2 0 234.278 1.634 10 0 BDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccccc1 ZINC000071187992 173143523 /nfs/dbraw/zinc/14/35/23/173143523.db2.gz AEPAITGNTNYIBA-ZFWWWQNUSA-N 2 0 247.386 1.570 10 0 BDAERP C[N@@H+]1CC[C@H](CNC[C@@H]2CCCC[NH+]2C)C1 ZINC000054242802 173147475 /nfs/dbraw/zinc/14/74/75/173147475.db2.gz ZFRNHSWXLFXSFQ-OLZOCXBDSA-N 2 0 225.380 1.012 10 0 BDAERP C[N@@H+]1CCc2cc(C[NH2+]C3CC3)sc2C1 ZINC000045206012 173169856 /nfs/dbraw/zinc/16/98/56/173169856.db2.gz JOIZEBLRDLROLG-UHFFFAOYSA-N 2 0 222.357 1.988 10 0 BDAERP C[NH2+]CCC[NH2+]CCCc1ccccc1 ZINC000083344895 173348922 /nfs/dbraw/zinc/34/89/22/173348922.db2.gz IGAHZKHVTUQKSR-UHFFFAOYSA-N 2 0 206.333 1.818 10 0 BDAERP C[NH2+]C[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417079 173365209 /nfs/dbraw/zinc/36/52/09/173365209.db2.gz ZCGDPCQMODKEDN-CQSZACIVSA-N 2 0 247.386 1.412 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011891996 173370341 /nfs/dbraw/zinc/37/03/41/173370341.db2.gz RLHAAZKRZKXLJJ-ZDUSSCGKSA-N 2 0 236.334 1.910 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000104319886 173372996 /nfs/dbraw/zinc/37/29/96/173372996.db2.gz GNMNXHKOVMPVEI-UONOGXRCSA-N 2 0 240.391 1.877 10 0 BDAERP C[NH2+]C[C@@]1(C[N@H+](C)CC2CCCC2)CCOC1 ZINC000104367593 173373646 /nfs/dbraw/zinc/37/36/46/173373646.db2.gz PPHQPNPXXLADKS-CQSZACIVSA-N 2 0 240.391 1.735 10 0 BDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371144 173382904 /nfs/dbraw/zinc/38/29/04/173382904.db2.gz CMNDKPCGKQOTPR-NEPJUHHUSA-N 2 0 244.404 1.192 10 0 BDAERP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000037758712 173389626 /nfs/dbraw/zinc/38/96/26/173389626.db2.gz LJUYTHVLWJFDNO-LBPRGKRZSA-N 2 0 247.342 1.296 10 0 BDAERP C[NH2+]Cc1coc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000052375970 173393530 /nfs/dbraw/zinc/39/35/30/173393530.db2.gz ITNRIXKZYUNSGT-JTQLQIEISA-N 2 0 208.305 1.983 10 0 BDAERP COC1CC[NH+]([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037265722 174032575 /nfs/dbraw/zinc/03/25/75/174032575.db2.gz XFJGOIUKVFXBLQ-JQWIXIFHSA-N 2 0 212.337 1.225 10 0 BDAERP COCCC[N@H+](CCOC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042408709 174226374 /nfs/dbraw/zinc/22/63/74/174226374.db2.gz DJRVSYGEUDBDEP-CHWSQXEVSA-N 2 0 244.379 1.099 10 0 BDAERP COCC[N@H+](C1CC1)[C@@H]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC000042517609 174284535 /nfs/dbraw/zinc/28/45/35/174284535.db2.gz WYMOZTQVCJPNFN-SGMGOOAPSA-N 2 0 240.391 1.861 10 0 BDAERP COCC[NH+](CCC[C@@H]1CCC[NH2+]1)CCOC ZINC000052764410 174290398 /nfs/dbraw/zinc/29/03/98/174290398.db2.gz OVIBPUXUKGUVHB-ZDUSSCGKSA-N 2 0 244.379 1.113 10 0 BDAERP COCC[N@H+](CCCCC(N)=[NH2+])[C@H](C)COC ZINC000042607952 174290874 /nfs/dbraw/zinc/29/08/74/174290874.db2.gz MTWNMZAQQKKBEJ-LLVKDONJSA-N 2 0 245.367 1.076 10 0 BDAERP COCC[N@@H+](Cc1ccoc1C[NH3+])CC(C)C ZINC000052508553 174301379 /nfs/dbraw/zinc/30/13/79/174301379.db2.gz METQZXZBSGMIEW-UHFFFAOYSA-N 2 0 240.347 1.843 10 0 BDAERP COCC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000160685062 174408018 /nfs/dbraw/zinc/40/80/18/174408018.db2.gz SJMJJQHHCJUTCY-QWRGUYRKSA-N 2 0 200.326 1.143 10 0 BDAERP COc1ccc(CC[N@H+](C)[C@H](C)CC[NH3+])cc1 ZINC000049828328 175090828 /nfs/dbraw/zinc/09/08/28/175090828.db2.gz JWVDYZVTUDROAW-GFCCVEGCSA-N 2 0 236.359 1.907 10 0 BDAERP COc1cccc([C@H](C[NH3+])CC[NH+](C)C)c1 ZINC000041241361 175293979 /nfs/dbraw/zinc/29/39/79/175293979.db2.gz VQAFKAFLNKRMFI-LBPRGKRZSA-N 2 0 222.332 1.689 10 0 BDAERP C[C@@H]([C@@H]1CCCO1)[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666225 176012460 /nfs/dbraw/zinc/01/24/60/176012460.db2.gz IGROWMUPWBFMQO-MQYQWHSLSA-N 2 0 240.391 1.874 10 0 BDAERP C[C@@H]1CC[C@@H]([NH3+])CN1CCOc1ccccc1 ZINC000044421612 176209575 /nfs/dbraw/zinc/20/95/75/176209575.db2.gz DJNIPRUKTSRZSI-CHWSQXEVSA-N 2 0 234.343 1.877 10 0 BDAERP C[C@@H]1CC[C@H]([NH3+])[C@H](N2CCC([NH+](C)C)CC2)C1 ZINC000036191935 176229080 /nfs/dbraw/zinc/22/90/80/176229080.db2.gz ZYTMEIMESYIHFF-KWCYVHTRSA-N 2 0 239.407 1.528 10 0 BDAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000061934259 176229314 /nfs/dbraw/zinc/22/93/14/176229314.db2.gz SNLQJMLQDFUARP-MQYQWHSLSA-N 2 0 240.391 1.861 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)CN(CCC[NH+](C)C)C1 ZINC000049666115 176328643 /nfs/dbraw/zinc/32/86/43/176328643.db2.gz TZAAJXWAVDMJRU-CHWSQXEVSA-N 2 0 227.396 1.116 10 0 BDAERP C[C@@H]1CSC(NCC2CC[NH+](C)CC2)=[NH+]1 ZINC000044526497 176349101 /nfs/dbraw/zinc/34/91/01/176349101.db2.gz WEAAHQKMCAKQBU-SECBINFHSA-N 2 0 227.377 1.409 10 0 BDAERP C[C@H]([C@H]([NH3+])c1ccccc1)N(C)CC[NH+](C)C ZINC000104200774 177030529 /nfs/dbraw/zinc/03/05/29/177030529.db2.gz KWKZKNVVICXAEI-OCCSQVGLSA-N 2 0 235.375 1.568 10 0 BDAERP C[C@H]([C@H]1CCCO1)[NH+]1CCC[NH2+]CCC1 ZINC000049666240 177031671 /nfs/dbraw/zinc/03/16/71/177031671.db2.gz XAWZSKQWJDPAIN-VXGBXAGGSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C[NH3+] ZINC000037910048 177109590 /nfs/dbraw/zinc/10/95/90/177109590.db2.gz JPXAHZXDMKRANP-NSHDSACASA-N 2 0 247.342 1.568 10 0 BDAERP C[C@H]1CC[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000049666853 177161809 /nfs/dbraw/zinc/16/18/09/177161809.db2.gz MORFCMNRWXSMMW-ZDUSSCGKSA-N 2 0 233.359 1.698 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CC[N@H+](C)C2)C1 ZINC000049666498 177285853 /nfs/dbraw/zinc/28/58/53/177285853.db2.gz PLRWBAXDEAATJT-MELADBBJSA-N 2 0 239.407 1.116 10 0 BDAERP COCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400354911 226341755 /nfs/dbraw/zinc/34/17/55/226341755.db2.gz LSUKSMXWXMJFCA-MNOVXSKESA-N 2 0 214.353 1.247 10 0 BDAERP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000400509975 226345224 /nfs/dbraw/zinc/34/52/24/226345224.db2.gz LGSWYHXZDPBWRU-IACUBPJLSA-N 2 0 246.354 1.578 10 0 BDAERP C[C@H]([NH2+]Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400573350 226346719 /nfs/dbraw/zinc/34/67/19/226346719.db2.gz OINGIQONDQFYAW-VHSXEESVSA-N 2 0 210.346 1.836 10 0 BDAERP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000400824189 229158801 /nfs/dbraw/zinc/15/88/01/229158801.db2.gz JEHVKAMCNWPDGK-YPMHNXCESA-N 2 0 219.332 1.607 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CC[NH2+]C1 ZINC000307227387 229402778 /nfs/dbraw/zinc/40/27/78/229402778.db2.gz DLKPQKAYOJNJCX-AXFHLTTASA-N 2 0 214.378 1.470 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC000250641365 487737447 /nfs/dbraw/zinc/73/74/47/487737447.db2.gz HKYDZCQMQKBYBU-NOOOWODRSA-N 2 0 212.337 1.149 10 0 BDAERP CCC[N@H+](CC)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400400787 527980153 /nfs/dbraw/zinc/98/01/53/527980153.db2.gz PTSFGRLWNBWDJY-QWHCGFSZSA-N 2 0 227.396 1.306 10 0 BDAERP C[C@H](C[NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000398338605 323006821 /nfs/dbraw/zinc/00/68/21/323006821.db2.gz FHGMPCODHFJEMK-OLZOCXBDSA-N 2 0 218.344 1.989 10 0 BDAERP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000562957167 323035096 /nfs/dbraw/zinc/03/50/96/323035096.db2.gz SHZHLUBXNCDHKN-DRZSPHRISA-N 2 0 226.364 1.125 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958475 323035189 /nfs/dbraw/zinc/03/51/89/323035189.db2.gz JUTDDTHQMVHTPY-HZSPNIEDSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000569918725 323044247 /nfs/dbraw/zinc/04/42/47/323044247.db2.gz MWNGUVZRWXXNLH-DTWKUNHWSA-N 2 0 240.269 1.501 10 0 BDAERP CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570153607 323051617 /nfs/dbraw/zinc/05/16/17/323051617.db2.gz NBXBMIJNXUNIBC-GARJFASQSA-N 2 0 216.394 1.716 10 0 BDAERP C[C@H]([NH2+]CCN1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000570507933 323061709 /nfs/dbraw/zinc/06/17/09/323061709.db2.gz UUHORMSPDROIBN-UONOGXRCSA-N 2 0 237.391 1.226 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000566088737 325991781 /nfs/dbraw/zinc/99/17/81/325991781.db2.gz DJNVZUNBILFKEK-UBHSHLNASA-N 2 0 240.391 1.515 10 0 BDAERP CCOCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566791113 326082425 /nfs/dbraw/zinc/08/24/25/326082425.db2.gz RORFQAVBASANGD-RYUDHWBXSA-N 2 0 214.353 1.391 10 0 BDAERP C[C@H]([NH2+]CCCn1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000567603950 326227047 /nfs/dbraw/zinc/22/70/47/326227047.db2.gz DAFYOIOUQAEGPK-QWHCGFSZSA-N 2 0 236.363 1.251 10 0 BDAERP C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCC[NH2+]C1 ZINC000567647035 326237844 /nfs/dbraw/zinc/23/78/44/326237844.db2.gz NCTRAJOBPGBROM-GHMZBOCLSA-N 2 0 214.353 1.125 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC(C)(C)[NH3+] ZINC000092629567 488099947 /nfs/dbraw/zinc/09/99/47/488099947.db2.gz PKKRGZPIEQONOH-LLVKDONJSA-N 2 0 241.379 1.057 10 0 BDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379448700 488137061 /nfs/dbraw/zinc/13/70/61/488137061.db2.gz INEINAWZDIYDFN-LBPRGKRZSA-N 2 0 228.380 1.466 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000127997089 490567169 /nfs/dbraw/zinc/56/71/69/490567169.db2.gz XSNCLKOMIIAARE-IHRRRGAJSA-N 2 0 238.375 1.772 10 0 BDAERP C[C@@H]([NH2+]CC1(CO)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400359851 491122131 /nfs/dbraw/zinc/12/21/31/491122131.db2.gz PVGYCSGAKQCFFZ-CHWSQXEVSA-N 2 0 240.391 1.517 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000560943273 491130769 /nfs/dbraw/zinc/13/07/69/491130769.db2.gz JANAIXYJPGLAMA-HBNTYKKESA-N 2 0 214.378 1.470 10 0 BDAERP CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCC1 ZINC000310352475 491161166 /nfs/dbraw/zinc/16/11/66/491161166.db2.gz HKRBOFFYVAJBOH-CYBMUJFWSA-N 2 0 240.391 1.613 10 0 BDAERP C[C@H]([NH2+][C@H]1CCO[C@H]1C)C1CC[NH+](C)CC1 ZINC000134241599 491162563 /nfs/dbraw/zinc/16/25/63/491162563.db2.gz KAAWUMHFQVLDKA-GVXVVHGQSA-N 2 0 226.364 1.484 10 0 BDAERP CC1CCC2(CC1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757145724 582528447 /nfs/dbraw/zinc/52/84/47/582528447.db2.gz ILEPFKDETUEZMX-UHFFFAOYSA-N 2 0 210.321 1.245 10 0 BDAERP CCC1CCC2(CC1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757148393 582532905 /nfs/dbraw/zinc/53/29/05/582532905.db2.gz NEXIQIQZYWJNPI-UHFFFAOYSA-N 2 0 224.348 1.635 10 0 BDAERP CCC1(CC)C[NH2+]C2(CC[NH+](C)CC2)OC1 ZINC000757148998 582533460 /nfs/dbraw/zinc/53/34/60/582533460.db2.gz OZQKXNMFSFVHGU-UHFFFAOYSA-N 2 0 226.364 1.835 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000400461583 533904879 /nfs/dbraw/zinc/90/48/79/533904879.db2.gz RQKBZRWVXPQLQG-RWMBFGLXSA-N 2 0 208.349 1.930 10 0 BDAERP CCC[NH+]1CCC(N[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400350986 528204280 /nfs/dbraw/zinc/20/42/80/528204280.db2.gz MPUWWYQRONRKPP-CHWSQXEVSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@]12CCCN2CCC[NH+](C)C ZINC000757134826 582513053 /nfs/dbraw/zinc/51/30/53/582513053.db2.gz XEWJGSKIJOWZDZ-KBPBESRZSA-N 3 0 239.407 1.545 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757134884 582513310 /nfs/dbraw/zinc/51/33/10/582513310.db2.gz XFELTDUEADGMFW-RDBSUJKOSA-N 2 0 240.391 1.875 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757139406 582519618 /nfs/dbraw/zinc/51/96/18/582519618.db2.gz GYZWVRIUMCNPLV-CHWSQXEVSA-N 2 0 238.375 1.977 10 0 BDAERP CC(=O)c1cccc([C@@H]2C[C@H](C[NH3+])CC[NH2+]2)c1 ZINC000757218029 582562580 /nfs/dbraw/zinc/56/25/80/582562580.db2.gz UTRGCHDQFWOCLN-RISCZKNCSA-N 2 0 232.327 1.889 10 0 BDAERP CC(C)[NH+]1CCN([C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396718810 583089266 /nfs/dbraw/zinc/08/92/66/583089266.db2.gz PMGJPXKZHHFJKA-STQMWFEESA-N 2 0 225.380 1.153 10 0 BDAERP Cc1cn2c([nH+]1)NCC[C@H]2[C@@H]1CCC[NH2+]C1 ZINC000236046164 583210733 /nfs/dbraw/zinc/21/07/33/583210733.db2.gz IQBYMUBGHCBRCK-MNOVXSKESA-N 2 0 220.320 1.548 10 0 BDAERP NC[C@@H]1C[C@@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757206952 586437141 /nfs/dbraw/zinc/43/71/41/586437141.db2.gz ATGXSIVKKSHPIO-RYUDHWBXSA-N 2 0 229.327 1.962 10 0 BDAERP [NH3+]Cc1ccc([C@@H]2C[C@@H](C[NH3+])CC[NH2+]2)cc1 ZINC000757211943 586437219 /nfs/dbraw/zinc/43/72/19/586437219.db2.gz JLEBVDYVYOFFIA-AAEUAGOBSA-N 3 0 219.332 1.145 10 0 BDAERP C[C@H]1CC[NH2+]C[C@@H]1c1cccc(C[NH3+])c1 ZINC000757208421 586437833 /nfs/dbraw/zinc/43/78/33/586437833.db2.gz CRCADLQBAZIOLP-GWCFXTLKSA-N 2 0 204.317 1.858 10 0 BDAERP [NH3+]CC[C@@H]1CC[C@@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757210781 586438852 /nfs/dbraw/zinc/43/88/52/586438852.db2.gz GZGLQCCLHBVLBN-ONGXEEELSA-N 2 0 238.356 1.950 10 0 BDAERP CC(=O)c1ccc([C@@H]2C[NH2+]CC[C@H]2[NH3+])cc1 ZINC000757213426 586439792 /nfs/dbraw/zinc/43/97/92/586439792.db2.gz KEIGGQGJKMKQHU-QWHCGFSZSA-N 2 0 218.300 1.293 10 0 BDAERP C[C@@H]1CN[C@@H](c2cccc(N)c2)[C@@H]([NH3+])C1 ZINC000757215225 586440378 /nfs/dbraw/zinc/44/03/78/586440378.db2.gz MUHLVZWWCCQJLT-UWJYBYFXSA-N 2 0 205.305 1.267 10 0 BDAERP Nc1cccc([C@@H]2CC[C@@H](C[NH3+])C[NH2+]2)c1 ZINC000757215249 586440489 /nfs/dbraw/zinc/44/04/89/586440489.db2.gz MUJPBQXVAGDQEM-CABZTGNLSA-N 2 0 205.305 1.268 10 0 BDAERP [NH3+]CC[C@H]1CC[C@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757216518 586441265 /nfs/dbraw/zinc/44/12/65/586441265.db2.gz QCVLBPQFYZPISD-BXUZGUMPSA-N 2 0 232.327 1.889 10 0 BDAERP [NH3+]CC[C@@H]1CC[C@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757216522 586441348 /nfs/dbraw/zinc/44/13/48/586441348.db2.gz QCVLBPQFYZPISD-SMDDNHRTSA-N 2 0 232.327 1.889 10 0 BDAERP [NH3+]Cc1cccc([C@H]2[NH2+]CCC[C@@H]2C[NH3+])c1 ZINC000757219332 586442292 /nfs/dbraw/zinc/44/22/92/586442292.db2.gz WWQPLEQMRRFRKS-CHWSQXEVSA-N 3 0 219.332 1.145 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2ccc(C=O)s2)[NH2+]1 ZINC000757220862 586442528 /nfs/dbraw/zinc/44/25/28/586442528.db2.gz ZRNHIUHQIQMIPC-VDDIYKPWSA-N 2 0 238.356 1.949 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1N[C@H](C)CC[C@H]1[NH3+] ZINC000757228371 586442683 /nfs/dbraw/zinc/44/26/83/586442683.db2.gz CJNJHUYNNJOXHA-WQAKAFBOSA-N 2 0 219.332 1.718 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257722693 634481112 /nfs/dbraw/zinc/48/11/12/634481112.db2.gz VYBHJVZIKRYIIW-STQMWFEESA-N 2 0 224.348 1.241 10 0 BDAERP O[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000231979549 635509506 /nfs/dbraw/zinc/50/95/06/635509506.db2.gz DUELOWZNWWVVAT-JQWIXIFHSA-N 2 0 240.372 1.371 10 0 BDAERP C[N@H+](C[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250454973 635698196 /nfs/dbraw/zinc/69/81/96/635698196.db2.gz WIVZMAMJSFPVBS-HNGCFSAESA-N 2 0 224.348 1.380 10 0 BDAERP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000328556925 633776085 /nfs/dbraw/zinc/77/60/85/633776085.db2.gz AWWZANVYOIMZMF-ZNNZHFKNSA-N 2 0 206.333 1.371 10 0 BDAERP C[C@@H]([NH2+][C@@H](C)[C@H](C)O)C1CC[NH+](C)CC1 ZINC000309060824 633845730 /nfs/dbraw/zinc/84/57/30/633845730.db2.gz WNWZPERTTKUTCT-AXFHLTTASA-N 2 0 214.353 1.076 10 0 BDAERP C[N@H+](C[C@H]1CCCO1)C1(C[NH3+])CCCCC1 ZINC000042463626 637268336 /nfs/dbraw/zinc/26/83/36/637268336.db2.gz OWJGRCFCSNDYMQ-GFCCVEGCSA-N 2 0 226.364 1.759 10 0 BDAERP CSC(C)(C)C[NH2+]C1CC[NH2+]CC1 ZINC000229088068 640921086 /nfs/dbraw/zinc/92/10/86/640921086.db2.gz QQHIGDIUGWYWLX-UHFFFAOYSA-N 2 0 202.367 1.470 10 0 BDAERP FC(F)(F)SCC[NH2+]C1CC[NH2+]CC1 ZINC000231938867 641217502 /nfs/dbraw/zinc/21/75/02/641217502.db2.gz MYHMINLYKFSMNZ-UHFFFAOYSA-N 2 0 228.283 1.581 10 0 BDAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000069626384 642886688 /nfs/dbraw/zinc/88/66/88/642886688.db2.gz YEZDWDXWFKPXBS-RYUDHWBXSA-N 2 0 212.337 1.226 10 0 BDAERP CC(=O)c1cccc([C@@H]2C[C@H]([NH3+])CC[NH2+]2)c1 ZINC000757211181 643371434 /nfs/dbraw/zinc/37/14/34/643371434.db2.gz GQZVSLOYEFREGN-OLZOCXBDSA-N 2 0 218.300 1.641 10 0 BDAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000250711196 643376110 /nfs/dbraw/zinc/37/61/10/643376110.db2.gz GDALKSOWTBQEFA-NWDGAFQWSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052373387 644536474 /nfs/dbraw/zinc/53/64/74/644536474.db2.gz ZOMKCXCEZQCAII-LOWDOPEQSA-N 2 0 226.364 1.613 10 0 BDAERP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000052381447 644536504 /nfs/dbraw/zinc/53/65/04/644536504.db2.gz LKDCRPDCBHJTHI-UTUOFQBUSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000251636265 644814920 /nfs/dbraw/zinc/81/49/20/644814920.db2.gz FRLNITWAGUQXFM-GRYCIOLGSA-N 2 0 212.337 1.082 10 0 BDAERP COCC1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000714005054 712476837 /nfs/dbraw/zinc/47/68/37/712476837.db2.gz GARGTVHMXHDDCX-BFUDSRACSA-N 2 0 212.337 1.271 10 0 BDAERP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000724034383 710736907 /nfs/dbraw/zinc/73/69/07/710736907.db2.gz PCIHITCHMNOIKN-QWHCGFSZSA-N 2 0 233.359 1.915 10 0 BDAERP Cc1cc(C)nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000723879819 711542136 /nfs/dbraw/zinc/54/21/36/711542136.db2.gz SZBTZKIPEURQHQ-YPMHNXCESA-N 2 0 233.359 1.725 10 0 BDAERP Cc1cc(N(C)C2(C[NH3+])CCOCC2)cc[nH+]1 ZINC000725021722 711643706 /nfs/dbraw/zinc/64/37/06/711643706.db2.gz KLMTYBDPTIJLBT-UHFFFAOYSA-N 2 0 235.331 1.334 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000721866751 711792305 /nfs/dbraw/zinc/79/23/05/711792305.db2.gz QOCZQHKGDXWQHC-QMTHXVAHSA-N 2 0 227.311 1.677 10 0 BDAERP CC(C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000711103255 712280668 /nfs/dbraw/zinc/28/06/68/712280668.db2.gz XWZRLEZHQBTWGC-AVGNSLFASA-N 2 0 228.380 1.371 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H]2CCO[C@@H]2C)CC1 ZINC000714753587 712497278 /nfs/dbraw/zinc/49/72/78/712497278.db2.gz KMPPPEHLSOTTLZ-MNOVXSKESA-N 2 0 212.337 1.367 10 0 BDAERP C[NH+](C)C1(C)CCC([NH2+]CC(C)(C)O)CC1 ZINC000715571498 712529270 /nfs/dbraw/zinc/52/92/70/712529270.db2.gz IECDBPCLXCLXAJ-UHFFFAOYSA-N 2 0 228.380 1.610 10 0 BDAERP CC1(C)CO[C@@H](CC[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000717284193 712644802 /nfs/dbraw/zinc/64/48/02/712644802.db2.gz LJTSSCIMSJWMIS-STQMWFEESA-N 2 0 240.391 1.923 10 0 BDAERP COCC(C)(C)CC[NH2+]C1CCC([NH3+])CC1 ZINC000718791890 712784266 /nfs/dbraw/zinc/78/42/66/712784266.db2.gz NSMXRLAKJSWGHV-UHFFFAOYSA-N 2 0 228.380 1.909 10 0 BDAERP COCC(C)(C)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000718794173 712784539 /nfs/dbraw/zinc/78/45/39/712784539.db2.gz XVKPWSVBNTVHPG-LBPRGKRZSA-N 2 0 228.380 1.781 10 0 BDAERP CCN1CC[C@@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000685953823 538898834 /nfs/dbraw/zinc/89/88/34/538898834.db2.gz IVBUWOUOKKRUHF-GFCCVEGCSA-N 2 0 223.364 1.036 10 0 BDAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCSC2 ZINC000685952689 538896772 /nfs/dbraw/zinc/89/67/72/538896772.db2.gz CBPPPMBIHPJTRS-QWRGUYRKSA-N 2 0 214.378 1.694 10 0 BDAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062114026 349438045 /nfs/dbraw/zinc/43/80/45/349438045.db2.gz OPWRQNHKXZLNNN-LBPRGKRZSA-N 2 0 247.342 1.296 10 0 BDAERP Cc1ccc(C)c([C@@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965677 538912499 /nfs/dbraw/zinc/91/24/99/538912499.db2.gz OINPOFKNJKKFPT-STQMWFEESA-N 2 0 204.317 1.708 10 0 BDAERP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307515460 398173956 /nfs/dbraw/zinc/17/39/56/398173956.db2.gz MTMIRPQAXSJKSL-UTLUCORTSA-N 2 0 202.367 1.550 10 0 BDAERP C[NH+](C)C[C@H](O)CC1(C[NH3+])CCCCC1 ZINC000309117783 398196602 /nfs/dbraw/zinc/19/66/02/398196602.db2.gz RSYKDEFBNLIJEM-LLVKDONJSA-N 2 0 214.353 1.208 10 0 BDAERP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000164111251 538931400 /nfs/dbraw/zinc/93/14/00/538931400.db2.gz LANGQEVFDAMGFD-AAEUAGOBSA-N 2 0 242.407 1.713 10 0 BDAERP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000576458616 365601170 /nfs/dbraw/zinc/60/11/70/365601170.db2.gz SXFIXMMQSDXOHE-YVECIDJPSA-N 2 0 226.364 1.268 10 0 BDAERP FC1(F)CCCC[C@@H]1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381701291 398270048 /nfs/dbraw/zinc/27/00/48/398270048.db2.gz OVBIAVFMWYLHQJ-SDDRHHMPSA-N 2 0 244.329 1.963 10 0 BDAERP C[C@H]1C[C@@H]([NH3+])CN1c1ccncc1Cl ZINC000306644459 361835272 /nfs/dbraw/zinc/83/52/72/361835272.db2.gz ZQDJQFCEQDUUKK-JGVFFNPUSA-N 2 0 211.696 1.661 10 0 BDAERP CCC[C@@H](C(=O)NCC[N@H+](C)C(C)C)[NH+](C)C ZINC000130763727 323011946 /nfs/dbraw/zinc/01/19/46/323011946.db2.gz UAWXLFNAJLXSFO-LBPRGKRZSA-N 2 0 243.395 1.173 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000235953664 343067846 /nfs/dbraw/zinc/06/78/46/343067846.db2.gz KKMGCJJUNXJYNX-NWDGAFQWSA-N 2 0 222.336 1.051 10 0 BDAERP C[C@@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000575564119 343079739 /nfs/dbraw/zinc/07/97/39/343079739.db2.gz AESYNSJGQAAOOB-KBPBESRZSA-N 2 0 216.328 1.728 10 0 BDAERP C[C@H]([NH3+])Cc1c2c[nH+]ccc2n2c1CCC2 ZINC000013919040 343107854 /nfs/dbraw/zinc/10/78/54/343107854.db2.gz HVHVXSNVYIVPKS-VIFPVBQESA-N 2 0 215.300 1.872 10 0 BDAERP C[C@H](CNC1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000062079105 136271998 /nfs/dbraw/zinc/27/19/98/136271998.db2.gz WDJNAIGOUXOCKS-GFCCVEGCSA-N 2 0 225.380 1.060 10 0 BDAERP CCc1nc(C)cc(NC[C@@H](C)C[NH3+])n1 ZINC000308910634 346939542 /nfs/dbraw/zinc/93/95/42/346939542.db2.gz GHRLVAAFWVHOPV-QMMMGPOBSA-N 2 0 208.309 1.354 10 0 BDAERP CC[N@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000405378565 343812280 /nfs/dbraw/zinc/81/22/80/343812280.db2.gz IKOALGKEPAGNQD-LLVKDONJSA-N 2 0 214.378 1.566 10 0 BDAERP [NH3+]CCC[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000409425884 343820954 /nfs/dbraw/zinc/82/09/54/343820954.db2.gz HEPQZUKENCYTJC-LBPRGKRZSA-N 2 0 212.337 1.370 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000409433111 343826537 /nfs/dbraw/zinc/82/65/37/343826537.db2.gz XJCCDWVBOGRTHB-RKDXNWHRSA-N 2 0 204.264 1.312 10 0 BDAERP CC(C)C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409435796 343839936 /nfs/dbraw/zinc/83/99/36/343839936.db2.gz WOPXZLYJMAQCBK-TZMCWYRMSA-N 2 0 240.391 1.467 10 0 BDAERP Cc1ccc(C[C@H]2C[N@H+](C)CC[C@@H]2[NH3+])cc1 ZINC000022130083 343908125 /nfs/dbraw/zinc/90/81/25/343908125.db2.gz ZXIGWTDJDQHKDK-KBPBESRZSA-N 2 0 218.344 1.817 10 0 BDAERP C[C@@H]1CC[NH2+][C@@H](C2(F)CC[NH2+]CC2)C1 ZINC000158109532 344543801 /nfs/dbraw/zinc/54/38/01/344543801.db2.gz FXEXZCBRFSUENT-NXEZZACHSA-N 2 0 200.301 1.466 10 0 BDAERP C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000248004810 345010582 /nfs/dbraw/zinc/01/05/82/345010582.db2.gz AFILRTQJTZQUQW-UONOGXRCSA-N 2 0 234.343 1.089 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)CC12CC(C1)C[NH2+]2 ZINC000634992354 345180231 /nfs/dbraw/zinc/18/02/31/345180231.db2.gz MDIIGBPIAYWUCS-MOKVOYLWSA-N 2 0 237.391 1.155 10 0 BDAERP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CCC[NH2+]C1 ZINC000634998651 345198264 /nfs/dbraw/zinc/19/82/64/345198264.db2.gz JDFAICYFLKSVOO-NEPJUHHUSA-N 2 0 208.349 1.908 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000634998241 345198442 /nfs/dbraw/zinc/19/84/42/345198442.db2.gz CJPCEGHBWORHMF-ONGXEEELSA-N 2 0 210.346 1.775 10 0 BDAERP C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000149282856 345715999 /nfs/dbraw/zinc/71/59/99/345715999.db2.gz VXKGLACRLFQFOI-WCQYABFASA-N 2 0 204.317 1.774 10 0 BDAERP CC(C)CC[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000257673282 345781074 /nfs/dbraw/zinc/78/10/74/345781074.db2.gz FFCCSCPWJGXFDV-UHFFFAOYSA-N 2 0 239.407 1.402 10 0 BDAERP [NH3+]CCN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000034522526 345830870 /nfs/dbraw/zinc/83/08/70/345830870.db2.gz YABLKWFIOOTQGY-OAHLLOKOSA-N 2 0 245.370 1.250 10 0 BDAERP [NH3+]C[C@@H]1CNC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000669378990 537973798 /nfs/dbraw/zinc/97/37/98/537973798.db2.gz RQQFAFSFTIVENT-OLZOCXBDSA-N 2 0 225.380 1.047 10 0 BDAERP Cc1cccc(NCC2CC[NH2+]CC2)[nH+]1 ZINC000044509230 179143661 /nfs/dbraw/zinc/14/36/61/179143661.db2.gz ZKIMDKPSHYSZOZ-UHFFFAOYSA-N 2 0 205.305 1.802 10 0 BDAERP C[C@H](COCc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000390571683 259394009 /nfs/dbraw/zinc/39/40/09/259394009.db2.gz UDQZIVJDMDRZNL-CYBMUJFWSA-N 2 0 248.370 1.933 10 0 BDAERP Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CC[NH+](C)CC2)c1 ZINC000042965387 179189097 /nfs/dbraw/zinc/18/90/97/179189097.db2.gz XNQBBJGPRCTYSQ-UKRRQHHQSA-N 2 0 247.386 1.631 10 0 BDAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000250768356 362819386 /nfs/dbraw/zinc/81/93/86/362819386.db2.gz UBZZTJZRQULCIR-MNOVXSKESA-N 2 0 214.378 1.423 10 0 BDAERP Cc1ccccc1C1(C[NH3+])CC[NH2+]CC1 ZINC000071509153 179255465 /nfs/dbraw/zinc/25/54/65/179255465.db2.gz BMZKPEGPACPSBK-UHFFFAOYSA-N 2 0 204.317 1.575 10 0 BDAERP C[C@H]([NH3+])C[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000251599631 362889562 /nfs/dbraw/zinc/88/95/62/362889562.db2.gz GCWLIGABENQVFP-UKKRHICBSA-N 2 0 200.326 1.221 10 0 BDAERP C[C@H]1CC[C@@H](O)C[N@@H+]1CCCn1ccnc1 ZINC000399303304 323203429 /nfs/dbraw/zinc/20/34/29/323203429.db2.gz XZWCEWHHJCOVRZ-NWDGAFQWSA-N 2 0 223.320 1.118 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000223029071 490237984 /nfs/dbraw/zinc/23/79/84/490237984.db2.gz DHBJHRDCXHSDCT-RNJOBUHISA-N 2 0 226.364 1.397 10 0 BDAERP Cc1cccc(C[C@H]2C[N@H+](C)CC[C@@H]2[NH3+])c1 ZINC000022130081 350113392 /nfs/dbraw/zinc/11/33/92/350113392.db2.gz PJBGXUDMHIMCNH-KBPBESRZSA-N 2 0 218.344 1.817 10 0 BDAERP Cc1nccn1CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070975624 180250747 /nfs/dbraw/zinc/25/07/47/180250747.db2.gz KFIJYSYAKROCHY-ZDUSSCGKSA-N 2 0 236.363 1.395 10 0 BDAERP Cc1nnsc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000384235290 350267946 /nfs/dbraw/zinc/26/79/46/350267946.db2.gz HYUWZCZVNIJSAM-ZJUUUORDSA-N 2 0 240.376 1.454 10 0 BDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC1C[NH2+]C1 ZINC000306847514 351158710 /nfs/dbraw/zinc/15/87/10/351158710.db2.gz LJLOHVSHWWCAHH-GFCCVEGCSA-N 2 0 233.359 1.068 10 0 BDAERP CC(C)(C)[N@@H+]1CCCOC[C@@H]1CC[NH3+] ZINC000616646646 351172449 /nfs/dbraw/zinc/17/24/49/351172449.db2.gz SDXMLTNYMHHKSA-JTQLQIEISA-N 2 0 200.326 1.225 10 0 BDAERP C[C@@H]1C[NH2+][C@@]2(CC[N@H+](C)C[C@@H]2C)S1 ZINC000306949937 351374913 /nfs/dbraw/zinc/37/49/13/351374913.db2.gz XIPMTLFTPAKAED-AEJSXWLSSA-N 2 0 200.351 1.379 10 0 BDAERP CS[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2[NH3+])C1 ZINC000307021026 351428575 /nfs/dbraw/zinc/42/85/75/351428575.db2.gz CYKOCJWEVBCCLU-OPRDCNLKSA-N 2 0 200.351 1.304 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cccc(Br)c1F ZINC000307126683 351491486 /nfs/dbraw/zinc/49/14/86/351491486.db2.gz UZQZCJPAHNHVIS-MRVPVSSYSA-N 2 0 247.111 1.937 10 0 BDAERP C[C@H]1[C@H]([NH3+])CCN1CC1CC(F)(F)C1 ZINC000307254572 351789231 /nfs/dbraw/zinc/78/92/31/351789231.db2.gz XZXDHQDSMGBNAX-IONNQARKSA-N 2 0 204.264 1.453 10 0 BDAERP CSC1CC[NH+](C2CC([NH3+])C2)CC1 ZINC000300872998 363092672 /nfs/dbraw/zinc/09/26/72/363092672.db2.gz QZSTVKLHHIAKOD-UHFFFAOYSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H]1CCC[N@@H+]1CC[C@H]1CSCC[NH2+]1 ZINC000252153516 363179768 /nfs/dbraw/zinc/17/97/68/363179768.db2.gz MWOUROAPROBJBG-QWRGUYRKSA-N 2 0 214.378 1.566 10 0 BDAERP O[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000335247089 352430589 /nfs/dbraw/zinc/43/05/89/352430589.db2.gz ADWHVGAVOLHVEQ-ZIAGYGMSSA-N 2 0 238.375 1.506 10 0 BDAERP Cc1[nH+]ccc(N(C)C[C@H](C)[NH3+])c1Cl ZINC000307535986 352640085 /nfs/dbraw/zinc/64/00/85/352640085.db2.gz KLGAMCMQIININH-ZETCQYMHSA-N 2 0 213.712 1.827 10 0 BDAERP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CN1C ZINC000307485717 352620753 /nfs/dbraw/zinc/62/07/53/352620753.db2.gz BHFXLHOBJFAKQW-KZVJFYERSA-N 2 0 204.264 1.322 10 0 BDAERP C[C@@H]1CSC[C@H]1[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000307514915 352631721 /nfs/dbraw/zinc/63/17/21/352631721.db2.gz OYDXYOQZDJADEK-KXUCPTDWSA-N 2 0 200.351 1.019 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000306620602 353029816 /nfs/dbraw/zinc/02/98/16/353029816.db2.gz UZGLWIKJBOMVSK-MRVPVSSYSA-N 2 0 245.120 1.503 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(F)cc1Br ZINC000307265165 353064269 /nfs/dbraw/zinc/06/42/69/353064269.db2.gz YDXBQGVUPHBNJN-VIFPVBQESA-N 2 0 247.111 1.937 10 0 BDAERP CC(C)C[C@@](C)(C[NH3+])N1CCOC[C@@H]1C ZINC000035774956 188104392 /nfs/dbraw/zinc/10/43/92/188104392.db2.gz PHMMVWUFPYPFID-RYUDHWBXSA-N 2 0 214.353 1.471 10 0 BDAERP COc1ccc([C@H](CC[NH3+])[NH+](C)C)cc1OC ZINC000019673455 188108048 /nfs/dbraw/zinc/10/80/48/188108048.db2.gz ALSZZCBCKQAZSM-NSHDSACASA-N 2 0 238.331 1.655 10 0 BDAERP COc1ccc(C[N@H+](C)[C@H](C)CC[NH3+])cc1 ZINC000042441478 188119475 /nfs/dbraw/zinc/11/94/75/188119475.db2.gz MTUBWXLNSZCAOS-LLVKDONJSA-N 2 0 222.332 1.864 10 0 BDAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000045134657 188123936 /nfs/dbraw/zinc/12/39/36/188123936.db2.gz KGNBCGCINNRLDM-KBPBESRZSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](C2CCOCC2)C1 ZINC000049666378 188125756 /nfs/dbraw/zinc/12/57/56/188125756.db2.gz WETDZZSOPYUFHB-VXGBXAGGSA-N 2 0 226.364 1.485 10 0 BDAERP C[NH+]1CC2(C1)C[C@@H](CC[NH3+])CCS2 ZINC000082382428 188173995 /nfs/dbraw/zinc/17/39/95/188173995.db2.gz IVPKDNNXGYAVKE-VIFPVBQESA-N 2 0 200.351 1.163 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CSCCS1 ZINC000229587191 188159176 /nfs/dbraw/zinc/15/91/76/188159176.db2.gz NCYIWJMVJRIQCW-GHMZBOCLSA-N 2 0 246.445 1.567 10 0 BDAERP CC[C@@H]1C[N@@H+](C2CC([NH3+])C2)CCS1 ZINC000133244531 353402966 /nfs/dbraw/zinc/40/29/66/353402966.db2.gz DLUKURBJRJLYQX-UDNWOFFPSA-N 2 0 200.351 1.304 10 0 BDAERP CC(C)CCOCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515167 355251938 /nfs/dbraw/zinc/25/19/38/355251938.db2.gz DDHRTXQVFGODCY-AWEZNQCLSA-N 2 0 242.407 1.933 10 0 BDAERP NC(=[NH2+])c1cccc(C[NH+]2CCCC2)c1 ZINC000019509854 181196157 /nfs/dbraw/zinc/19/61/57/181196157.db2.gz FRKLEAHGWQHTLT-UHFFFAOYSA-N 2 0 203.289 1.566 10 0 BDAERP CCN1CC[C@H]([NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000389167035 355742264 /nfs/dbraw/zinc/74/22/64/355742264.db2.gz MUGCZAIIAOLZBE-NSHDSACASA-N 2 0 222.336 1.210 10 0 BDAERP CC[NH+](CC)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059144 538482887 /nfs/dbraw/zinc/48/28/87/538482887.db2.gz LFPSABKDWPSSLL-OAHLLOKOSA-N 2 0 248.370 1.708 10 0 BDAERP C[NH+](C)CC(=O)NCCCC1([NH3+])CCCCC1 ZINC000675072968 538504394 /nfs/dbraw/zinc/50/43/94/538504394.db2.gz FLBANCKSFZLDHA-UHFFFAOYSA-N 2 0 241.379 1.106 10 0 BDAERP CCC(CC)[NH2+][C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080455 538520075 /nfs/dbraw/zinc/52/00/75/538520075.db2.gz QOGPJSBYGDPRGH-NEPJUHHUSA-N 2 0 226.364 1.661 10 0 BDAERP Cc1[nH+]ccc(N[C@@H]2C[NH2+]CC[C@H]2C)c1Cl ZINC000389750800 357025250 /nfs/dbraw/zinc/02/52/50/357025250.db2.gz KSSXOADMJVUXOD-LDYMZIIASA-N 2 0 239.750 1.875 10 0 BDAERP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000160574888 357078695 /nfs/dbraw/zinc/07/86/95/357078695.db2.gz QKFBSPRSRDGYTI-NXEZZACHSA-N 2 0 214.378 1.551 10 0 BDAERP Cc1cnccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000395370559 357434489 /nfs/dbraw/zinc/43/44/89/357434489.db2.gz NCWVXOFGCYPKQQ-CQSZACIVSA-N 2 0 233.359 1.964 10 0 BDAERP [NH3+][C@@H]1C[C@H]([NH+]2CCCCC2)C12CCOCC2 ZINC000685949314 538892664 /nfs/dbraw/zinc/89/26/64/538892664.db2.gz PBYBISMCTJFCAD-NEPJUHHUSA-N 2 0 224.348 1.369 10 0 BDAERP CC[C@H]1CC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950662 538893895 /nfs/dbraw/zinc/89/38/95/538893895.db2.gz DCYIYKIBEOSLNJ-QNWHQSFQSA-N 2 0 210.365 1.962 10 0 BDAERP CO[C@H]1CCC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951387 538894341 /nfs/dbraw/zinc/89/43/41/538894341.db2.gz RUUZHICKVWVEAJ-QNWHQSFQSA-N 2 0 226.364 1.341 10 0 BDAERP CCOC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C(C)C ZINC000233755964 357744744 /nfs/dbraw/zinc/74/47/44/357744744.db2.gz GPJWIWIEMHKMDJ-QWHCGFSZSA-N 2 0 228.380 1.779 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222962321 358216434 /nfs/dbraw/zinc/21/64/34/358216434.db2.gz PSQJLECAXLHYHP-MGPQQGTHSA-N 2 0 241.423 1.822 10 0 BDAERP C[C@H]([NH2+]CCOCC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000578314080 366496499 /nfs/dbraw/zinc/49/64/99/366496499.db2.gz ZQZFKXHTBIIARD-VHSXEESVSA-N 2 0 236.306 1.246 10 0 BDAERP CC(CN1CCC(F)(F)C1)=C1C[NH2+]C1 ZINC000306245014 359433005 /nfs/dbraw/zinc/43/30/05/359433005.db2.gz UQNZOOUGXOLVKM-UHFFFAOYSA-N 2 0 202.248 1.247 10 0 BDAERP C[C@H]1C[N@@H+]([C@@H]2CCSC2)CCC[NH2+]1 ZINC000231423602 360335354 /nfs/dbraw/zinc/33/53/54/360335354.db2.gz KFJLVRPQAFXIBD-VHSXEESVSA-N 2 0 200.351 1.176 10 0 BDAERP C[C@H](COCc1ccccc1)[NH2+]CCCC[NH3+] ZINC000306567527 360447196 /nfs/dbraw/zinc/44/71/96/360447196.db2.gz SMSBKBJLFNTACN-CYBMUJFWSA-N 2 0 236.359 1.920 10 0 BDAERP O[C@@]1([C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306599392 360520599 /nfs/dbraw/zinc/52/05/99/360520599.db2.gz YMVQPRCIHLYPPQ-GJZGRUSLSA-N 2 0 246.354 1.375 10 0 BDAERP C[C@H]1CC[N@H+](CCC2C[NH2+]C2)CCS1 ZINC000306600665 360527724 /nfs/dbraw/zinc/52/77/24/360527724.db2.gz UBAVOXWMBPUBCL-JTQLQIEISA-N 2 0 214.378 1.423 10 0 BDAERP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000579342242 366761974 /nfs/dbraw/zinc/76/19/74/366761974.db2.gz ZDWBVOHAUYWEEP-IHRRRGAJSA-N 2 0 240.391 1.781 10 0 BDAERP CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000629555588 361447418 /nfs/dbraw/zinc/44/74/18/361447418.db2.gz YLBCRCOQJDCTCG-SDDRHHMPSA-N 2 0 212.337 1.143 10 0 BDAERP CO[C@H]1CN(CCc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630368091 364084748 /nfs/dbraw/zinc/08/47/48/364084748.db2.gz QGNMQXIMOVUNMS-ZIAGYGMSSA-N 2 0 249.358 1.062 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000630343723 364068655 /nfs/dbraw/zinc/06/86/55/364068655.db2.gz NJBPKMLIQBUGHV-AMDVSUOASA-N 2 0 240.269 1.159 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000630539264 364235129 /nfs/dbraw/zinc/23/51/29/364235129.db2.gz DOMBUVRKSWUVST-OKILXGFUSA-N 2 0 231.343 1.826 10 0 BDAERP [NH3+]CCCCCN1CC[NH+](C2CCCC2)CC1 ZINC000037049322 181375509 /nfs/dbraw/zinc/37/55/09/181375509.db2.gz NROFQNOTXMNBDG-UHFFFAOYSA-N 2 0 239.407 1.676 10 0 BDAERP [NH3+]CCC[NH+]1CCC(c2ccccn2)CC1 ZINC000027745850 181379305 /nfs/dbraw/zinc/37/93/05/181379305.db2.gz WYJZKSPZJQCMII-UHFFFAOYSA-N 2 0 219.332 1.610 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000575372894 365303213 /nfs/dbraw/zinc/30/32/13/365303213.db2.gz CRTQLJLTMJINCY-XDQVBPFNSA-N 2 0 240.391 1.515 10 0 BDAERP CCC(CC)(CO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000579941821 367092613 /nfs/dbraw/zinc/09/26/13/367092613.db2.gz APVVYNWWFCUZOI-STQMWFEESA-N 2 0 242.407 1.763 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)[C@H]1C ZINC000386015762 367896667 /nfs/dbraw/zinc/89/66/67/367896667.db2.gz VALUPAQEISWILU-RFGFWPKPSA-N 2 0 240.391 1.467 10 0 BDAERP C[C@@H](CN(C)Cc1noc(CN)n1)C(C)(C)C ZINC000399746468 368542535 /nfs/dbraw/zinc/54/25/35/368542535.db2.gz RVGPXXDBPPMUOX-VIFPVBQESA-N 2 0 240.351 1.642 10 0 BDAERP COCC[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037895171 371321413 /nfs/dbraw/zinc/32/14/13/371321413.db2.gz SREYNFLNACAIKD-UHFFFAOYSA-N 2 0 208.305 1.224 10 0 BDAERP [NH3+]CC[C@H]1CCC[N@@H+](C2CSC2)C1 ZINC000215779154 371628836 /nfs/dbraw/zinc/62/88/36/371628836.db2.gz IRGNDBSGHIZNKE-SECBINFHSA-N 2 0 200.351 1.163 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(N)=[NH2+] ZINC000306876908 372074429 /nfs/dbraw/zinc/07/44/29/372074429.db2.gz CBMGVEHJPYJJIR-YPMHNXCESA-N 2 0 246.358 1.380 10 0 BDAERP C[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836567 372624873 /nfs/dbraw/zinc/62/48/73/372624873.db2.gz BRDXYKONKARCCD-HIFRSBDPSA-N 2 0 248.370 1.730 10 0 BDAERP CC(C)OCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839086 372633429 /nfs/dbraw/zinc/63/34/29/372633429.db2.gz AAPGWXSXSNHPNN-NWDGAFQWSA-N 2 0 214.353 1.328 10 0 BDAERP COCc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838890 372634370 /nfs/dbraw/zinc/63/43/70/372634370.db2.gz WNLLCTYAIKEGJR-DOMZBBRYSA-N 2 0 248.370 1.860 10 0 BDAERP CC(C)OCCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839085 372634699 /nfs/dbraw/zinc/63/46/99/372634699.db2.gz AAPGWXSXSNHPNN-NEPJUHHUSA-N 2 0 214.353 1.328 10 0 BDAERP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000069723835 373657880 /nfs/dbraw/zinc/65/78/80/373657880.db2.gz PYMSZAOTZIIHEV-WDEREUQCSA-N 2 0 214.378 1.553 10 0 BDAERP OC[C@@H]1CC[N@H+](CCC[NH+]2CCCCCC2)C1 ZINC000049474442 183122955 /nfs/dbraw/zinc/12/29/55/183122955.db2.gz YMZKBSQATOBTIP-CQSZACIVSA-N 2 0 240.391 1.567 10 0 BDAERP CCC[N@H+](CC(=O)NC)Cc1ccc(C[NH3+])cc1 ZINC000042404180 169094102 /nfs/dbraw/zinc/09/41/02/169094102.db2.gz SETPLQMTDMQKLR-UHFFFAOYSA-N 2 0 249.358 1.103 10 0 BDAERP CCC[N@H+](CC)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000037094543 169120766 /nfs/dbraw/zinc/12/07/66/169120766.db2.gz VDHOTZVMNYIOSG-UHFFFAOYSA-N 2 0 249.358 1.816 10 0 BDAERP O[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904450 183232850 /nfs/dbraw/zinc/23/28/50/183232850.db2.gz UPKNQDIAOVAOOI-YUTCNCBUSA-N 2 0 238.375 1.364 10 0 BDAERP CCCN(CC[NH+](C)C)C(=O)C(C)(C)[NH2+]CC ZINC000061299304 169156806 /nfs/dbraw/zinc/15/68/06/169156806.db2.gz VTNFBNWNWJUPNL-UHFFFAOYSA-N 2 0 243.395 1.175 10 0 BDAERP CCCN(CC[NH+](C)C)[C@H](C[NH2+]CC)C(C)C ZINC000052544097 169158694 /nfs/dbraw/zinc/15/86/94/169158694.db2.gz DJZQWRHTHIQYQS-CQSZACIVSA-N 2 0 243.439 1.894 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000049714174 169187386 /nfs/dbraw/zinc/18/73/86/169187386.db2.gz JZFPTSLTLRVNGP-TZMCWYRMSA-N 2 0 239.407 1.530 10 0 BDAERP CCC[NH+]1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000019518681 169202358 /nfs/dbraw/zinc/20/23/58/169202358.db2.gz XJNLSEPYJUWEMR-UHFFFAOYSA-N 2 0 239.407 1.676 10 0 BDAERP CCC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000037267480 169256069 /nfs/dbraw/zinc/25/60/69/169256069.db2.gz SSJIDHWHKPAOJQ-UHFFFAOYSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654683 169256593 /nfs/dbraw/zinc/25/65/93/169256593.db2.gz UAZDMEBDFCIBLE-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000041301113 183368287 /nfs/dbraw/zinc/36/82/87/183368287.db2.gz UKHUSRSAJLCZNH-GFCCVEGCSA-N 2 0 248.326 1.505 10 0 BDAERP CCC[NH2+][C@H](C)[C@@H]1CCCN(CC[NH+](C)C)C1 ZINC000104421689 169285709 /nfs/dbraw/zinc/28/57/09/169285709.db2.gz OKECURDVGIMDIX-ZIAGYGMSSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+][C@H]1CCCC[C@H]1N(C)CC[NH+](C)C ZINC000104202028 169290401 /nfs/dbraw/zinc/29/04/01/169290401.db2.gz VCLFWHLYQRHFMY-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@@H](C)CCN1CC[N@H+](CC)[C@H](C)C1 ZINC000104137073 169275250 /nfs/dbraw/zinc/27/52/50/169275250.db2.gz BEURULBGRCWKDW-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@@H](C)CN1CC[NH+](CC(C)C)CC1 ZINC000055079384 169275441 /nfs/dbraw/zinc/27/54/41/169275441.db2.gz SHIACWYJNKCLSZ-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+](CCO)C1CC1 ZINC000053880278 169282420 /nfs/dbraw/zinc/28/24/20/169282420.db2.gz YBEWRGSALSFKDZ-GXTWGEPZSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)CCO ZINC000053869788 169282628 /nfs/dbraw/zinc/28/26/28/169282628.db2.gz SXHVGSBSQLQDLN-MGPQQGTHSA-N 2 0 242.407 1.715 10 0 BDAERP CCC[C@@H](C)C[NH+]1CCN([C@@H](CC)C[NH3+])CC1 ZINC000104052458 169357518 /nfs/dbraw/zinc/35/75/18/169357518.db2.gz KZSVWZUOHAUBCG-KGLIPLIRSA-N 2 0 241.423 1.778 10 0 BDAERP CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029511 169389896 /nfs/dbraw/zinc/38/98/96/169389896.db2.gz LWUDOHZSLRQLON-VXGBXAGGSA-N 2 0 241.379 1.104 10 0 BDAERP CCC[C@@H]([NH3+])[C@H](CC)N(C)CC[NH+]1CCCC1 ZINC000063051429 169392526 /nfs/dbraw/zinc/39/25/26/169392526.db2.gz QIBJDTXTIOTWER-KGLIPLIRSA-N 2 0 241.423 1.920 10 0 BDAERP [NH3+][C@H]1CCCC[C@H]1C[NH+]1CCSCC1 ZINC000060743752 383840639 /nfs/dbraw/zinc/84/06/39/383840639.db2.gz XAWAUWTUQHTTTN-QWRGUYRKSA-N 2 0 214.378 1.553 10 0 BDAERP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000068590913 384001923 /nfs/dbraw/zinc/00/19/23/384001923.db2.gz CZRLDAXSBGABDL-KGLIPLIRSA-N 2 0 218.344 1.946 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CCO[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000309473466 384091890 /nfs/dbraw/zinc/09/18/90/384091890.db2.gz XQVXUJWSSGKVSI-FDYHWXHSSA-N 2 0 226.364 1.471 10 0 BDAERP C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000572593272 384175755 /nfs/dbraw/zinc/17/57/55/384175755.db2.gz ANJMYUYUYFRWCP-QWHCGFSZSA-N 2 0 240.391 1.659 10 0 BDAERP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000095074243 384350890 /nfs/dbraw/zinc/35/08/90/384350890.db2.gz OHDTZRJUOWDDLP-CABCVRRESA-N 2 0 248.370 1.431 10 0 BDAERP [NH3+][C@@H](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095077242 384353280 /nfs/dbraw/zinc/35/32/80/384353280.db2.gz AVNPUDRFKAASSA-HNNXBMFYSA-N 2 0 248.370 1.608 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068370 384330705 /nfs/dbraw/zinc/33/07/05/384330705.db2.gz QDAHSDNKNJEDRI-QWRGUYRKSA-N 2 0 207.321 1.665 10 0 BDAERP CC(C)(C)OC(=O)c1ccc(C(N)=[NH2+])c(C[NH3+])c1 ZINC000095932676 384409701 /nfs/dbraw/zinc/40/97/01/384409701.db2.gz XQRHPYMFWCEOOQ-UHFFFAOYSA-N 2 0 249.314 1.385 10 0 BDAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1cnccn1 ZINC000100256589 384627247 /nfs/dbraw/zinc/62/72/47/384627247.db2.gz MMEXWKAMBZHGLP-GARJFASQSA-N 2 0 220.320 1.397 10 0 BDAERP [NH3+][C@@H](CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000100278769 384630283 /nfs/dbraw/zinc/63/02/83/384630283.db2.gz PYWOWVDBIHYQJK-CABCVRRESA-N 2 0 248.370 1.608 10 0 BDAERP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000335583086 384929899 /nfs/dbraw/zinc/92/98/99/384929899.db2.gz URPQCUDZRXVWIF-GHMZBOCLSA-N 2 0 205.305 1.494 10 0 BDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000178518410 385293519 /nfs/dbraw/zinc/29/35/19/385293519.db2.gz UYMHRISADMEZFX-TZMCWYRMSA-N 2 0 240.391 1.611 10 0 BDAERP c1[nH+]c([C@@H]2CCC[NH2+]C2)n2ccccc12 ZINC000020263371 385297345 /nfs/dbraw/zinc/29/73/45/385297345.db2.gz FRDIELZLKCZKLV-SNVBAGLBSA-N 2 0 201.273 1.801 10 0 BDAERP COC[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000397254891 385415401 /nfs/dbraw/zinc/41/54/01/385415401.db2.gz QQLGEFZSLOLMNT-WOPDTQHZSA-N 2 0 212.337 1.128 10 0 BDAERP C[C@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000575549403 385973769 /nfs/dbraw/zinc/97/37/69/385973769.db2.gz JAWSPAWWGDYSII-AEJSXWLSSA-N 2 0 200.351 1.304 10 0 BDAERP C(C[NH2+][C@H]1CCC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000401920006 386428488 /nfs/dbraw/zinc/42/84/88/386428488.db2.gz DNYOCMMEHVGCQY-OLZOCXBDSA-N 2 0 226.364 1.535 10 0 BDAERP COCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400741778 533177030 /nfs/dbraw/zinc/17/70/30/533177030.db2.gz SXZIJMRMLORDBT-RYUDHWBXSA-N 2 0 228.380 1.637 10 0 BDAERP C[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000192453228 386769739 /nfs/dbraw/zinc/76/97/39/386769739.db2.gz YNDZPDUGOIMPPH-RYUDHWBXSA-N 2 0 228.380 1.589 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCN[C@@H]1C)C1CCOCC1 ZINC000396571939 386781309 /nfs/dbraw/zinc/78/13/09/386781309.db2.gz AWSFAMYQHODNIJ-LOWVWBTDSA-N 2 0 226.364 1.532 10 0 BDAERP c1cnc2ccc(C[NH2+]C[C@H]3CC[NH2+]C3)cc2c1 ZINC000398363504 386815584 /nfs/dbraw/zinc/81/55/84/386815584.db2.gz KGELQWSGLGTFOY-ZDUSSCGKSA-N 2 0 241.338 1.934 10 0 BDAERP COc1ccc([C@H]([NH3+])CCC[NH3+])c(C)c1 ZINC000575438179 387104232 /nfs/dbraw/zinc/10/42/32/387104232.db2.gz GSOKTNPKBBDXJR-GFCCVEGCSA-N 2 0 208.305 1.742 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1ccc2cc[nH]c2c1 ZINC000575438912 387121739 /nfs/dbraw/zinc/12/17/39/387121739.db2.gz GTTADJXHTWKQDC-LLVKDONJSA-N 2 0 203.289 1.907 10 0 BDAERP COc1c(F)cccc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575440189 387127321 /nfs/dbraw/zinc/12/73/21/387127321.db2.gz MVJCALSTIIQSNQ-NSHDSACASA-N 2 0 226.295 1.963 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCS2)[C@@H]1C ZINC000575585801 387146507 /nfs/dbraw/zinc/14/65/07/387146507.db2.gz XMJQOFIOHQIRLF-BBBLOLIVSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 ZINC000575485774 387245502 /nfs/dbraw/zinc/24/55/02/387245502.db2.gz QVIZDYWEJOLJDQ-OPRDCNLKSA-N 2 0 200.351 1.161 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000259491496 387302757 /nfs/dbraw/zinc/30/27/57/387302757.db2.gz SZXJJTQKQFOFMN-VIFPVBQESA-N 2 0 229.121 1.798 10 0 BDAERP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCC[C@H]1O ZINC000352668002 387429488 /nfs/dbraw/zinc/42/94/88/387429488.db2.gz OVTQRPRNFKMBHH-CHWSQXEVSA-N 2 0 226.364 1.318 10 0 BDAERP C[C@H]1C[N@H+](CC2CC([NH3+])C2)CCS1 ZINC000575521148 387453057 /nfs/dbraw/zinc/45/30/57/387453057.db2.gz OOMAUUDILLTUPM-IDKOKCKLSA-N 2 0 200.351 1.161 10 0 BDAERP [NH3+][C@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575508944 387392026 /nfs/dbraw/zinc/39/20/26/387392026.db2.gz RFZLCEGVIAEDEG-KGLIPLIRSA-N 2 0 232.327 1.379 10 0 BDAERP [NH3+][C@H]1CCC[C@H]1C[N@@H+]1CCCSCC1 ZINC000053879806 387521774 /nfs/dbraw/zinc/52/17/74/387521774.db2.gz DRUFWMVZHWGVDP-QWRGUYRKSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCC[NH2+]C1 ZINC000643471297 387480344 /nfs/dbraw/zinc/48/03/44/387480344.db2.gz OXVCXKPISVAEKL-NELGMTEASA-N 2 0 240.391 1.515 10 0 BDAERP CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643472666 387484858 /nfs/dbraw/zinc/48/48/58/387484858.db2.gz TXNMMCAGAVSNQP-UTUOFQBUSA-N 2 0 214.353 1.125 10 0 BDAERP CS[C@@H]1CC[C@H]1N1CCC[C@H]([NH3+])C1 ZINC000575545848 387631396 /nfs/dbraw/zinc/63/13/96/387631396.db2.gz QXNYRCCBVLDIKI-IVZWLZJFSA-N 2 0 200.351 1.304 10 0 BDAERP CS[C@@H]1CC[C@@H]1[NH+]1CCC([NH3+])CC1 ZINC000575567214 387735487 /nfs/dbraw/zinc/73/54/87/387735487.db2.gz YRYHOBLVIAWDAM-VHSXEESVSA-N 2 0 200.351 1.304 10 0 BDAERP CCC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000643491488 387892350 /nfs/dbraw/zinc/89/23/50/387892350.db2.gz NBIZAHYWVGJOTL-FRRDWIJNSA-N 2 0 228.380 1.779 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423162722 387943752 /nfs/dbraw/zinc/94/37/52/387943752.db2.gz LTPSLPLLMYVICH-RYDUCSDGSA-N 2 0 208.349 1.620 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000423172065 387958911 /nfs/dbraw/zinc/95/89/11/387958911.db2.gz RDSKBWCRGKSWQF-FVCCEPFGSA-N 2 0 238.375 1.532 10 0 BDAERP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC3)CC[C@H]21 ZINC000245584705 387963531 /nfs/dbraw/zinc/96/35/31/387963531.db2.gz DAHQLXBLVVDNQD-WCQYABFASA-N 2 0 208.349 1.955 10 0 BDAERP CC1(C)CC(N2CC[C@@H](C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000071575479 388100269 /nfs/dbraw/zinc/10/02/69/388100269.db2.gz VHISTVIFBWNPJH-NSHDSACASA-N 2 0 239.407 1.576 10 0 BDAERP CCC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000400328405 388116385 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CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247074355 388659215 /nfs/dbraw/zinc/65/92/15/388659215.db2.gz OLWBVTNXHCLUPO-IHRRRGAJSA-N 2 0 239.407 1.543 10 0 BDAERP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CCC[NH2+]C1 ZINC000566088880 388986737 /nfs/dbraw/zinc/98/67/37/388986737.db2.gz FOVQISWERCHGML-NEPJUHHUSA-N 2 0 242.407 1.761 10 0 BDAERP CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566089451 388986963 /nfs/dbraw/zinc/98/69/63/388986963.db2.gz WYAWUVZXKGHEOI-MJBXVCDLSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000400741207 533451874 /nfs/dbraw/zinc/45/18/74/533451874.db2.gz SVXUIZKCCNNXDO-ZYHUDNBSSA-N 2 0 248.326 1.503 10 0 BDAERP C[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400355980 533398069 /nfs/dbraw/zinc/39/80/69/533398069.db2.gz OMUABONOHQRPLK-CHWSQXEVSA-N 2 0 240.391 1.923 10 0 BDAERP Cc1cc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc[nH+]1 ZINC000302511290 132264165 /nfs/dbraw/zinc/26/41/65/132264165.db2.gz 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/nfs/dbraw/zinc/05/33/40/398053340.db2.gz QECVZEVMUYAQNJ-RTBKNWGFSA-N 2 0 214.378 1.740 10 0 BDAERP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000053031288 167112518 /nfs/dbraw/zinc/11/25/18/167112518.db2.gz VVNKFLMUDSXMJP-LBPRGKRZSA-N 2 0 226.364 1.485 10 0 BDAERP Fc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000258770527 322877714 /nfs/dbraw/zinc/87/77/14/322877714.db2.gz AQFQHQOAYLJKSU-NSHDSACASA-N 2 0 208.280 1.525 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CCC[NH2+]1 ZINC000400483191 410051460 /nfs/dbraw/zinc/05/14/60/410051460.db2.gz CQZCTMXNQUZHJO-WHOHXGKFSA-N 2 0 212.337 1.020 10 0 BDAERP COC[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000665235628 410726021 /nfs/dbraw/zinc/72/60/21/410726021.db2.gz XKQNYQULJLTQNP-UPJWGTAASA-N 2 0 244.379 1.016 10 0 BDAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000396424346 410882359 /nfs/dbraw/zinc/88/23/59/410882359.db2.gz CAAOZUIBEUOVDB-YUTCNCBUSA-N 2 0 239.407 1.434 10 0 BDAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C)C1 ZINC000062971804 167103058 /nfs/dbraw/zinc/10/30/58/167103058.db2.gz WYATXTGCXRCMHG-KBPBESRZSA-N 2 0 241.423 1.789 10 0 BDAERP CC(C)[NH2+]C[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000053031036 167113231 /nfs/dbraw/zinc/11/32/31/167113231.db2.gz ZQXRVKXVOOJHFB-ZDUSSCGKSA-N 2 0 239.407 1.401 10 0 BDAERP CC(C)[NH2+]C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000104196081 167114627 /nfs/dbraw/zinc/11/46/27/167114627.db2.gz MUDWIRCEWUWXPW-CQSZACIVSA-N 2 0 240.391 1.733 10 0 BDAERP CC(C)[NH2+]Cc1occc1COCC[NH+](C)C ZINC000052669611 167123728 /nfs/dbraw/zinc/12/37/28/167123728.db2.gz NSSAPAJOAZRVHP-UHFFFAOYSA-N 2 0 240.347 1.856 10 0 BDAERP COCC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000656199904 411205037 /nfs/dbraw/zinc/20/50/37/411205037.db2.gz GJGLZJHTIXKAOR-GHMZBOCLSA-N 2 0 212.337 1.001 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000307274836 411470006 /nfs/dbraw/zinc/47/00/06/411470006.db2.gz OVFNDRAZWCQRKY-ZRUFSTJUSA-N 2 0 214.378 1.468 10 0 BDAERP CC[NH+]1CCC(N(C)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000042616322 169952627 /nfs/dbraw/zinc/95/26/27/169952627.db2.gz VLLYGVVKKGOLFW-ZDUSSCGKSA-N 2 0 241.423 1.776 10 0 BDAERP CC[N@@H+]1CC[C@@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000037484498 170008754 /nfs/dbraw/zinc/00/87/54/170008754.db2.gz FSEMAHVYUVOELU-JTQLQIEISA-N 2 0 241.404 1.799 10 0 BDAERP CC[N@@H+]1CC[C@H](CN2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666718 170013763 /nfs/dbraw/zinc/01/37/63/170013763.db2.gz CDJJEPLHDSCXJI-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP CC[N@@H+]1CC[C@H](CN2CC[C@H]([NH2+]C)C[C@@H]2C)C1 ZINC000049712903 170015266 /nfs/dbraw/zinc/01/52/66/170015266.db2.gz HLPZNYZMRVURHQ-IHRRRGAJSA-N 2 0 239.407 1.401 10 0 BDAERP CC[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](C)CC2)C1 ZINC000309986103 170031494 /nfs/dbraw/zinc/03/14/94/170031494.db2.gz YHPQBIKCNDFTJL-DGCLKSJQSA-N 2 0 225.380 1.010 10 0 BDAERP CCN1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000051860010 170040877 /nfs/dbraw/zinc/04/08/77/170040877.db2.gz QGPLLSQSRNJMAP-CYBMUJFWSA-N 2 0 204.317 1.653 10 0 BDAERP CC[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC000036319881 170108409 /nfs/dbraw/zinc/10/84/09/170108409.db2.gz MREWQXOMLXXYSH-UHFFFAOYSA-N 2 0 212.337 1.239 10 0 BDAERP CC[NH2+]C[C@@]1(C[N@H+](CC)CC(C)C)CCOC1 ZINC000051214905 170121207 /nfs/dbraw/zinc/12/12/07/170121207.db2.gz JUWUSUGYFLIKJA-CQSZACIVSA-N 2 0 242.407 1.981 10 0 BDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)CCOC)O1 ZINC000052542777 170121290 /nfs/dbraw/zinc/12/12/90/170121290.db2.gz RVTOYABDGNKDME-QWHCGFSZSA-N 2 0 244.379 1.112 10 0 BDAERP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000049713209 170152502 /nfs/dbraw/zinc/15/25/02/170152502.db2.gz DUHQFKYHYWRUCF-BFHYXJOUSA-N 2 0 239.407 1.401 10 0 BDAERP CC[NH2+][C@H](CC)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979271 170160840 /nfs/dbraw/zinc/16/08/40/170160840.db2.gz HTNTUAWRJACXNI-KGLIPLIRSA-N 2 0 239.407 1.545 10 0 BDAERP CCOC1CC[NH+](C[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000053870220 170332594 /nfs/dbraw/zinc/33/25/94/170332594.db2.gz WOAJRIPVUPNIKY-DGCLKSJQSA-N 2 0 226.364 1.615 10 0 BDAERP Cc1nocc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662266743 412058963 /nfs/dbraw/zinc/05/89/63/412058963.db2.gz OQLRDEZMGLONKK-MVWJERBFSA-N 2 0 221.304 1.152 10 0 BDAERP CC[C@@H]1CN(CC[NH2+]C(C)(C)CC)CC[N@@H+]1C ZINC000104137404 171081994 /nfs/dbraw/zinc/08/19/94/171081994.db2.gz CXSNGQKMNUOEGG-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCC[NH+](C)C ZINC000083369860 171101787 /nfs/dbraw/zinc/10/17/87/171101787.db2.gz KXUPDJXHBYCGLB-ZIAGYGMSSA-N 2 0 241.423 1.647 10 0 BDAERP CC[C@H](C)[NH+]1CCN(CCC[NH2+]C(C)C)CC1 ZINC000055066835 171318425 /nfs/dbraw/zinc/31/84/25/171318425.db2.gz RECCDORXBQGOSH-AWEZNQCLSA-N 2 0 241.423 1.791 10 0 BDAERP CC[C@H](C)[NH+]1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000037049594 171318711 /nfs/dbraw/zinc/31/87/11/171318711.db2.gz HJIHYWWEYCPSDI-STQMWFEESA-N 2 0 227.396 1.530 10 0 BDAERP CC[C@H](C)[NH2+]CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049221257 171339867 /nfs/dbraw/zinc/33/98/67/171339867.db2.gz PGYOEVQFZSVYIG-RYUDHWBXSA-N 2 0 243.395 1.077 10 0 BDAERP CC[C@H](C)[C@@H]([NH3+])CN(C)C1CC[NH+](CC)CC1 ZINC000042689495 171372211 /nfs/dbraw/zinc/37/22/11/171372211.db2.gz VHDHBCBWGYMRKR-JSGCOSHPSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C)[C@H](C[NH2+]C1CCC([NH3+])CC1)OC ZINC000362974587 171392551 /nfs/dbraw/zinc/39/25/51/171392551.db2.gz BHGIIXUGIAECJN-WTIISPKJSA-N 2 0 228.380 1.907 10 0 BDAERP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC000665236876 412176354 /nfs/dbraw/zinc/17/63/54/412176354.db2.gz VUKMHJYWXBWLFS-LBPRGKRZSA-N 2 0 225.380 1.201 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263404 412205781 /nfs/dbraw/zinc/20/57/81/412205781.db2.gz LSZZCEDEHGNAGK-WZRBSPASSA-N 2 0 208.349 1.764 10 0 BDAERP CC[C@H]([NH2+]C)[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979334 171514597 /nfs/dbraw/zinc/51/45/97/171514597.db2.gz AIOFKJAFCIJQNH-IHRRRGAJSA-N 2 0 239.407 1.543 10 0 BDAERP CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623408 412246008 /nfs/dbraw/zinc/24/60/08/412246008.db2.gz XRVDLKJHCYOAEI-WDEREUQCSA-N 2 0 241.379 1.103 10 0 BDAERP Cc1cc(NCC[C@@H]([NH3+])C(C)C)cc[nH+]1 ZINC000663275523 412405638 /nfs/dbraw/zinc/40/56/38/412405638.db2.gz IJWCRLPVPYAPQB-GFCCVEGCSA-N 2 0 207.321 1.597 10 0 BDAERP C[NH2+]C[C@@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000663279731 412408341 /nfs/dbraw/zinc/40/83/41/412408341.db2.gz VEQPHKQCDFNUIQ-LLVKDONJSA-N 2 0 229.327 1.985 10 0 BDAERP CCn1cc[nH+]c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050608537 172228566 /nfs/dbraw/zinc/22/85/66/172228566.db2.gz UTLVWBGXPNDHCW-LLVKDONJSA-N 2 0 234.347 1.799 10 0 BDAERP C[NH+](C)C1CCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054135055 172406756 /nfs/dbraw/zinc/40/67/56/172406756.db2.gz AOJDMCGLGIWQCI-CYBMUJFWSA-N 2 0 225.380 1.155 10 0 BDAERP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000044518026 172986489 /nfs/dbraw/zinc/98/64/89/172986489.db2.gz AKQHSFKGYFDQFC-QWHCGFSZSA-N 2 0 226.364 1.221 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CCN1CCC([NH3+])CC1 ZINC000036754159 173003797 /nfs/dbraw/zinc/00/37/97/173003797.db2.gz FXZGEFJPQHRMBF-CYBMUJFWSA-N 2 0 225.380 1.284 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CNCCC[NH+]1CCCC1 ZINC000044562230 173004270 /nfs/dbraw/zinc/00/42/70/173004270.db2.gz IDTRJCPQCILYAJ-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H]([NH3+])C1 ZINC000041029773 173004635 /nfs/dbraw/zinc/00/46/35/173004635.db2.gz NOKMVHNWEOKARJ-QWHCGFSZSA-N 2 0 225.380 1.284 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1(CO)CCCC1 ZINC000053069220 173006410 /nfs/dbraw/zinc/00/64/10/173006410.db2.gz PCTFNPZMKXUKQN-ZDUSSCGKSA-N 2 0 240.391 1.756 10 0 BDAERP Cn1cc[nH+]c1NC[C@@H]1CCCC[N@@H+]1C ZINC000050606570 173010141 /nfs/dbraw/zinc/01/01/41/173010141.db2.gz FQKDKLYWGFQDIF-JTQLQIEISA-N 2 0 208.309 1.316 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CNCCC[NH+]1CCCC1 ZINC000044562231 173010547 /nfs/dbraw/zinc/01/05/47/173010547.db2.gz IDTRJCPQCILYAJ-AWEZNQCLSA-N 2 0 239.407 1.546 10 0 BDAERP C[N@@H+]1CCC[C@](C[NH3+])(c2cccs2)C1 ZINC000077304289 173061908 /nfs/dbraw/zinc/06/19/08/173061908.db2.gz SDKKOHVJZKPYEW-LLVKDONJSA-N 2 0 210.346 1.670 10 0 BDAERP CN1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000034449467 173080655 /nfs/dbraw/zinc/08/06/55/173080655.db2.gz BVCMUQFVEZNORB-UHFFFAOYSA-N 2 0 225.380 1.014 10 0 BDAERP C[NH+]1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000022214495 173095030 /nfs/dbraw/zinc/09/50/30/173095030.db2.gz RUABTXOWOJENAL-CYBMUJFWSA-N 2 0 225.380 1.141 10 0 BDAERP CN(Cc1cccn1C)C[C@@H]1CC[N@H+](C)C1 ZINC000162272315 173111380 /nfs/dbraw/zinc/11/13/80/173111380.db2.gz NWRUFFSISYQZRQ-GFCCVEGCSA-N 2 0 221.348 1.409 10 0 BDAERP C[N@@H+]1CC[C@@H](CNc2cc(N)cc[nH+]2)C1 ZINC000043569011 173118145 /nfs/dbraw/zinc/11/81/45/173118145.db2.gz QZTZCEHRRPPECC-VIFPVBQESA-N 2 0 206.293 1.027 10 0 BDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]CC1CC1)C2 ZINC000038019240 173206433 /nfs/dbraw/zinc/20/64/33/173206433.db2.gz LBZWLNZIZMYIBM-YHWZYXNKSA-N 2 0 208.349 1.859 10 0 BDAERP CN(CC1CC1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037925285 173206788 /nfs/dbraw/zinc/20/67/88/173206788.db2.gz JBEDNUAOUKOKGE-PBWFPOADSA-N 2 0 237.391 1.282 10 0 BDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1ncc[nH]1)C2 ZINC000049715608 173207041 /nfs/dbraw/zinc/20/70/41/173207041.db2.gz SIEFFGWZSXJTPN-YOGCLGLASA-N 2 0 234.347 1.372 10 0 BDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+](C)C ZINC000054601579 173324399 /nfs/dbraw/zinc/32/43/99/173324399.db2.gz JNZDKWTZARJCMG-YHWZYXNKSA-N 2 0 225.380 1.153 10 0 BDAERP C[NH2+]CCCCC[NH2+]CCCCC[NH2+]C ZINC000013605750 173345301 /nfs/dbraw/zinc/34/53/01/173345301.db2.gz CQPPTKPCYJLWNF-UHFFFAOYSA-N 3 0 215.385 1.355 10 0 BDAERP C[NH2+]CCC[NH2+]Cc1cn(C)c2ccccc12 ZINC000057353461 173350047 /nfs/dbraw/zinc/35/00/47/173350047.db2.gz HCYBUWAJUGIVKP-UHFFFAOYSA-N 2 0 231.343 1.877 10 0 BDAERP C[NH2+]C[C@@H](C)C[N@@H+]1CCCSCC1 ZINC000052371004 173364167 /nfs/dbraw/zinc/36/41/67/173364167.db2.gz QMLMXCJLCPMRNJ-SNVBAGLBSA-N 2 0 202.367 1.281 10 0 BDAERP C[NH2+]C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573445 173376167 /nfs/dbraw/zinc/37/61/67/173376167.db2.gz RWKWEMIDKFOEOU-LBPRGKRZSA-N 2 0 225.380 1.155 10 0 BDAERP C[NH2+]C[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000040593343 173379300 /nfs/dbraw/zinc/37/93/00/173379300.db2.gz ITKOVHUSIJWGHZ-LLVKDONJSA-N 2 0 212.337 1.097 10 0 BDAERP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000095075956 173381252 /nfs/dbraw/zinc/38/12/52/173381252.db2.gz XXYORQBLIVDNEL-KGLIPLIRSA-N 2 0 234.343 1.089 10 0 BDAERP C[NH2+]C[C@H]1CC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011892011 173381433 /nfs/dbraw/zinc/38/14/33/173381433.db2.gz DHXOXOLPUZFYBY-CQSZACIVSA-N 2 0 248.370 1.779 10 0 BDAERP C[NH2+]C[C@]1(C[N@H+](C)C2CCCCC2)CCOC1 ZINC000051213207 173384077 /nfs/dbraw/zinc/38/40/77/173384077.db2.gz UNUSWYBGSQDWEW-AWEZNQCLSA-N 2 0 240.391 1.877 10 0 BDAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H]2C)on1 ZINC000052375815 173386749 /nfs/dbraw/zinc/38/67/49/173386749.db2.gz XCFQOKHOMVZRJN-VIFPVBQESA-N 2 0 209.293 1.378 10 0 BDAERP C[NH2+]Cc1ccccc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000062971664 173390487 /nfs/dbraw/zinc/39/04/87/173390487.db2.gz ZDOSSGGFDRRYIB-OAHLLOKOSA-N 2 0 247.386 1.542 10 0 BDAERP C[NH2+]Cc1occc1C[N@@H+]1CCCOCC1 ZINC000061935788 173399908 /nfs/dbraw/zinc/39/99/08/173399908.db2.gz JJOZQDYHTDDXHL-UHFFFAOYSA-N 2 0 224.304 1.221 10 0 BDAERP COC1CC[NH+](C[C@](C)([NH3+])C2CC2)CC1 ZINC000037479233 174028020 /nfs/dbraw/zinc/02/80/20/174028020.db2.gz WLQZTSPLIZPZAX-LBPRGKRZSA-N 2 0 212.337 1.225 10 0 BDAERP COCCC[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665814 174235524 /nfs/dbraw/zinc/23/55/24/174235524.db2.gz PZSVFGWNMVFQHL-TXEJJXNPSA-N 2 0 214.353 1.200 10 0 BDAERP COCCC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000036908254 174251402 /nfs/dbraw/zinc/25/14/02/174251402.db2.gz RUCONMVFPSLODG-WOPDTQHZSA-N 2 0 214.353 1.341 10 0 BDAERP COc1ccc(CC[NH2+]CCC[NH+](C)C)cc1 ZINC000041582135 175091454 /nfs/dbraw/zinc/09/14/54/175091454.db2.gz DETVYZAWUSQUSA-UHFFFAOYSA-N 2 0 236.359 1.779 10 0 BDAERP COc1ccc(F)cc1[C@H](CC[NH3+])C[NH+](C)C ZINC000076621937 175134735 /nfs/dbraw/zinc/13/47/35/175134735.db2.gz SRWPILSCCCCPEV-SNVBAGLBSA-N 2 0 240.322 1.828 10 0 BDAERP COc1cccc([C@H](CC[NH3+])C[NH+](C)C)c1 ZINC000076611359 175294151 /nfs/dbraw/zinc/29/41/51/175294151.db2.gz OFACEMFXDDPJMB-GFCCVEGCSA-N 2 0 222.332 1.689 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CCCNCC[NH+](C)C ZINC000020047844 176072157 /nfs/dbraw/zinc/07/21/57/176072157.db2.gz WFZLNRHTTHZHNK-CYBMUJFWSA-N 2 0 227.396 1.402 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000040716984 176173566 /nfs/dbraw/zinc/17/35/66/176173566.db2.gz MPOGSZSAPLFJRA-LLVKDONJSA-N 2 0 204.317 1.987 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCCN(C)CC2)C1 ZINC000037158687 176223716 /nfs/dbraw/zinc/22/37/16/176223716.db2.gz AAJVSSPNCRHFNT-MGPQQGTHSA-N 2 0 239.407 1.387 10 0 BDAERP C[C@@H]1CN(CC[NH2+]Cc2ccccc2)CC[N@@H+]1C ZINC000104135053 176290998 /nfs/dbraw/zinc/29/09/98/176290998.db2.gz KPDFZVYPHNXPJF-CQSZACIVSA-N 2 0 247.386 1.412 10 0 BDAERP C[C@@H]1CN(CC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC000104135063 176291691 /nfs/dbraw/zinc/29/16/91/176291691.db2.gz MPNKSGXRHQOMAK-CYBMUJFWSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@@H]1C[NH2+]CCC[N@@H+](C2CCOCC2)C1 ZINC000049666381 176324164 /nfs/dbraw/zinc/32/41/64/176324164.db2.gz LOLIJQXZFZVTTO-LLVKDONJSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCOC1 ZINC000019913143 177075855 /nfs/dbraw/zinc/07/58/55/177075855.db2.gz UUUYAXISSLOIIL-KBPBESRZSA-N 2 0 240.391 1.877 10 0 BDAERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])o2)C1 ZINC000052381299 177102661 /nfs/dbraw/zinc/10/26/61/177102661.db2.gz FCDYJTPOSZFOEK-JTQLQIEISA-N 2 0 208.305 1.970 10 0 BDAERP C[C@H]1CCN(C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000044390319 177156866 /nfs/dbraw/zinc/15/68/66/177156866.db2.gz JPPBMQGJUGYWCQ-LBPRGKRZSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@H]1CC[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052182204 177158564 /nfs/dbraw/zinc/15/85/64/177158564.db2.gz KWEQRUPJTURKBS-NSHDSACASA-N 2 0 212.337 1.084 10 0 BDAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CCCC[NH+](C)C)C1 ZINC000041680485 177160722 /nfs/dbraw/zinc/16/07/22/177160722.db2.gz QGIIKYFNOUJIKJ-KGLIPLIRSA-N 3 0 241.423 1.648 10 0 BDAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052510125 177163643 /nfs/dbraw/zinc/16/36/43/177163643.db2.gz YVQVFQYGZYDYIH-VHSXEESVSA-N 2 0 223.320 1.754 10 0 BDAERP C[C@@H](CC[NH+](C)C)N1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049667809 177170023 /nfs/dbraw/zinc/17/00/23/177170023.db2.gz YZAKTBKIAWZNPV-IHRRRGAJSA-N 2 0 241.423 1.789 10 0 BDAERP C[C@@H]1C[N@@H+](CC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037482374 177244863 /nfs/dbraw/zinc/24/48/63/177244863.db2.gz KWHMOFFJKRSZIK-MPEURRAXSA-N 2 0 226.364 1.613 10 0 BDAERP C[C@H]1C[NH+](CC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037482375 177245092 /nfs/dbraw/zinc/24/50/92/177245092.db2.gz KWHMOFFJKRSZIK-ZSVAQUKISA-N 2 0 226.364 1.613 10 0 BDAERP C[C@H]1C[N@H+](CCC[C@@H]2CCC[NH2+]2)CCO1 ZINC000052764280 177250057 /nfs/dbraw/zinc/25/00/57/177250057.db2.gz QOWPMNWPSFMBBJ-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]1CN(CC[NH+](C)C)c2ccccc2C[NH2+]1 ZINC000062616665 177251752 /nfs/dbraw/zinc/25/17/52/177251752.db2.gz SYYWBYYOUSWTCY-LBPRGKRZSA-N 2 0 233.359 1.546 10 0 BDAERP C[C@@H]1C[NH2+][C@@H](C)CN1CC[NH+]1CCCCC1 ZINC000062611953 177251807 /nfs/dbraw/zinc/25/18/07/177251807.db2.gz WNPCFADLLSTMQP-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000235381782 177293062 /nfs/dbraw/zinc/29/30/62/177293062.db2.gz KMWGHAQLRWSNJM-WOPDTQHZSA-N 2 0 212.337 1.095 10 0 BDAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C[NH3+])no2)C1 ZINC000052420745 177313134 /nfs/dbraw/zinc/31/31/34/177313134.db2.gz JCLWAHDPVGXNQH-AOOOYVTPSA-N 2 0 223.320 1.611 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051693984 177330719 /nfs/dbraw/zinc/33/07/19/177330719.db2.gz DZSBLBNHPNQMBA-XPXVYLNCSA-N 3 0 239.407 1.575 10 0 BDAERP C[NH+](C)[C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000503713013 226333136 /nfs/dbraw/zinc/33/31/36/226333136.db2.gz LARBTBMLXIIAFQ-RWMBFGLXSA-N 2 0 202.301 1.606 10 0 BDAERP COCc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400461637 226344143 /nfs/dbraw/zinc/34/41/43/226344143.db2.gz RSEMWUWLRSKVOW-SWLSCSKDSA-N 2 0 248.370 1.921 10 0 BDAERP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000306833290 229397889 /nfs/dbraw/zinc/39/78/89/229397889.db2.gz NQJCXKUWNUSONK-RCWTZXSCSA-N 2 0 214.378 1.468 10 0 BDAERP CCCN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000328465992 487693990 /nfs/dbraw/zinc/69/39/90/487693990.db2.gz JHJYFJCCICLYTK-BPCQOVAHSA-N 3 0 225.380 1.330 10 0 BDAERP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@H]3O)CC[C@@H]21 ZINC000226289358 487709035 /nfs/dbraw/zinc/70/90/35/487709035.db2.gz SUSDEALAKFKBDK-XJFOESAGSA-N 2 0 238.375 1.316 10 0 BDAERP c1cc2cc(C[NH2+]C[C@@H]3CC[NH2+]C3)ccc2cn1 ZINC000666845919 487889517 /nfs/dbraw/zinc/88/95/17/487889517.db2.gz GKUDXIQHNKINIQ-CYBMUJFWSA-N 2 0 241.338 1.934 10 0 BDAERP CC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571908578 323495495 /nfs/dbraw/zinc/49/54/95/323495495.db2.gz CMBBDFJLRVEZIL-IJLUTSLNSA-N 2 0 214.353 1.125 10 0 BDAERP CSCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000572510442 324136817 /nfs/dbraw/zinc/13/68/17/324136817.db2.gz JGRMGCGWTGQYJO-MNOVXSKESA-N 2 0 216.394 1.717 10 0 BDAERP CSCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572510441 324136971 /nfs/dbraw/zinc/13/69/71/324136971.db2.gz JGRMGCGWTGQYJO-GHMZBOCLSA-N 2 0 216.394 1.717 10 0 BDAERP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CC[NH2+]C1 ZINC000400779542 324168335 /nfs/dbraw/zinc/16/83/35/324168335.db2.gz PBLASQLRQKKGMC-DGCLKSJQSA-N 2 0 234.343 1.522 10 0 BDAERP COC[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000049799935 488027285 /nfs/dbraw/zinc/02/72/85/488027285.db2.gz JBUFIYIOIDQKNW-NWDGAFQWSA-N 2 0 214.353 1.485 10 0 BDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H]1CC[NH2+]C1 ZINC000094440752 487533845 /nfs/dbraw/zinc/53/38/45/487533845.db2.gz DEMDAZZJOXXXPM-MGPQQGTHSA-N 2 0 237.391 1.155 10 0 BDAERP Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000415108326 488083971 /nfs/dbraw/zinc/08/39/71/488083971.db2.gz PWQZQVGFHDRREY-QWHCGFSZSA-N 2 0 233.359 1.520 10 0 BDAERP CC(C)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000390221771 488142004 /nfs/dbraw/zinc/14/20/04/488142004.db2.gz ZHDAYYKRSUGSBT-STQMWFEESA-N 2 0 225.380 1.010 10 0 BDAERP C[C@H]1SCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000235601886 491124535 /nfs/dbraw/zinc/12/45/35/491124535.db2.gz ABURUHUWXUSLQX-SFXRXQKFSA-N 2 0 214.378 1.740 10 0 BDAERP COCC[C@H](C)[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757125587 582500605 /nfs/dbraw/zinc/50/06/05/582500605.db2.gz FCECGHDMALYVJJ-RDBSUJKOSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757143843 582524497 /nfs/dbraw/zinc/52/44/97/582524497.db2.gz FUFUOPHZJWKQEZ-SNVBAGLBSA-N 2 0 210.321 1.339 10 0 BDAERP C[C@H]1CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757143830 582524626 /nfs/dbraw/zinc/52/46/26/582524626.db2.gz FUFUOPHZJWKQEZ-JTQLQIEISA-N 2 0 210.321 1.339 10 0 BDAERP CCC[C@H]1CCO[C@@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757147736 582531402 /nfs/dbraw/zinc/53/14/02/582531402.db2.gz SQPNYSHFLRQLME-QWHCGFSZSA-N 2 0 226.364 1.977 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757153690 582538029 /nfs/dbraw/zinc/53/80/29/582538029.db2.gz YQVJAGHCHPHGNS-OLZOCXBDSA-N 2 0 224.348 1.444 10 0 BDAERP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000400527154 533871443 /nfs/dbraw/zinc/87/14/43/533871443.db2.gz QLXFIUWIJYFEHI-AAEUAGOBSA-N 2 0 236.334 1.956 10 0 BDAERP C[C@H]([NH2+]CCc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000400436804 533875650 /nfs/dbraw/zinc/87/56/50/533875650.db2.gz MWRFOCJQVYKQDS-WDEREUQCSA-N 2 0 224.373 1.878 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000400572021 533882143 /nfs/dbraw/zinc/88/21/43/533882143.db2.gz NYEYRNNRSLKPRV-AXFHLTTASA-N 2 0 214.378 1.470 10 0 BDAERP CC[C@H](COC)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000084222382 517815591 /nfs/dbraw/zinc/81/55/91/517815591.db2.gz AFORADNUJQKUDK-MXWKQRLJSA-N 2 0 200.326 1.128 10 0 BDAERP COC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527669 536525583 /nfs/dbraw/zinc/52/55/83/536525583.db2.gz FPYSCQJXVUOPEQ-NXEZZACHSA-N 2 0 200.326 1.081 10 0 BDAERP CCOCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400769753 528568886 /nfs/dbraw/zinc/56/88/86/528568886.db2.gz ZVNWEWPGOCYCNS-NEPJUHHUSA-N 2 0 228.380 1.637 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400362135 528829267 /nfs/dbraw/zinc/82/92/67/528829267.db2.gz CJOXXCGROIAQQB-JHJVBQTASA-N 2 0 227.396 1.303 10 0 BDAERP CCOC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400732495 528995345 /nfs/dbraw/zinc/99/53/45/528995345.db2.gz QYNFDZUMEHJDPP-AGIUHOORSA-N 2 0 228.380 1.635 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400430827 529092545 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582513036 /nfs/dbraw/zinc/51/30/36/582513036.db2.gz XJWJTZJYYXDNPF-CYBMUJFWSA-N 2 0 226.364 1.631 10 0 BDAERP C[C@H]1[NH2+]CCC[C@]12CCCN2CCC[NH+](C)C ZINC000757134838 582513298 /nfs/dbraw/zinc/51/32/98/582513298.db2.gz XEWJGSKIJOWZDZ-KGLIPLIRSA-N 3 0 239.407 1.545 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757142498 582522975 /nfs/dbraw/zinc/52/29/75/582522975.db2.gz BZBLGRRNBJIHRQ-UHFFFAOYSA-N 2 0 210.321 1.341 10 0 BDAERP CC1(C)CCC2(CC1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757143481 582523412 /nfs/dbraw/zinc/52/34/12/582523412.db2.gz CXMBHMXQUDVIHJ-UHFFFAOYSA-N 2 0 224.348 1.635 10 0 BDAERP C[C@@H]1CCC[C@@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757145828 582528696 /nfs/dbraw/zinc/52/86/96/582528696.db2.gz ITJSANHGQJKLOV-ZYHUDNBSSA-N 2 0 210.321 1.245 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757148941 582533136 /nfs/dbraw/zinc/53/31/36/582533136.db2.gz VXGAIEHOKOACTK-STQMWFEESA-N 2 0 224.348 1.587 10 0 BDAERP C[C@@H]1OC2(CC[NH+](C)CC2)[NH2+]CC1(C)C ZINC000757153047 582536575 /nfs/dbraw/zinc/53/65/75/582536575.db2.gz VXKNYAVTLAACRP-JTQLQIEISA-N 2 0 212.337 1.443 10 0 BDAERP CC(=O)c1ccc([C@H]2[NH2+]CCC[C@H]2C[NH3+])cc1 ZINC000757218005 582562561 /nfs/dbraw/zinc/56/25/61/582562561.db2.gz UMJYNVNUIDPXBX-UONOGXRCSA-N 2 0 232.327 1.889 10 0 BDAERP COC[C@@H](C)C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757126405 586426130 /nfs/dbraw/zinc/42/61/30/586426130.db2.gz FNXXCOPAKCPTEF-LBPRGKRZSA-N 2 0 226.364 1.487 10 0 BDAERP [NH3+]C[C@@H]1CC[NH2+][C@H](c2cccc(C=O)c2)C1 ZINC000757208740 586436647 /nfs/dbraw/zinc/43/66/47/586436647.db2.gz AUSVCPQLAGBAEN-MFKMUULPSA-N 2 0 218.300 1.499 10 0 BDAERP C[C@@H]1CCN[C@@H](c2ccc(C[NH3+])cc2)[C@H]1[NH3+] ZINC000757213692 586439889 /nfs/dbraw/zinc/43/98/89/586439889.db2.gz LOKYLSVABMXBND-ICCXJUOJSA-N 2 0 219.332 1.143 10 0 BDAERP [NH3+]Cc1cccc([C@@H]2[NH2+]CCC[C@@H]2C[NH3+])c1 ZINC000757219333 586442028 /nfs/dbraw/zinc/44/20/28/586442028.db2.gz WWQPLEQMRRFRKS-OLZOCXBDSA-N 3 0 219.332 1.145 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccc(N)c2)[NH2+]1 ZINC000757220113 586442329 /nfs/dbraw/zinc/44/23/29/586442329.db2.gz ZYHQSEAMNPEFBZ-SUZMYJTESA-N 2 0 219.332 1.657 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([C@@H]2CC[NH2+][C@H](C)C2)[NH2+]1 ZINC000757228609 586442804 /nfs/dbraw/zinc/44/28/04/586442804.db2.gz DEZRIOFLGQIZCS-KVSVUVNWSA-N 3 0 225.380 1.090 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1C[C@@H]([NH3+])CC[NH2+]1 ZINC000757231037 586443465 /nfs/dbraw/zinc/44/34/65/586443465.db2.gz GJBFVDKETCZLCP-JQWIXIFHSA-N 2 0 205.305 1.329 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]12 ZINC000313607625 634498582 /nfs/dbraw/zinc/49/85/82/634498582.db2.gz HAYKUDNVFPCCQY-GBJTYRQASA-N 2 0 246.354 1.389 10 0 BDAERP O[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000231979546 635508905 /nfs/dbraw/zinc/50/89/05/635508905.db2.gz DUELOWZNWWVVAT-ZYHUDNBSSA-N 2 0 240.372 1.371 10 0 BDAERP CS[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000235097923 631954007 /nfs/dbraw/zinc/95/40/07/631954007.db2.gz SMLZIDRUEGTVFJ-OPRDCNLKSA-N 2 0 200.351 1.222 10 0 BDAERP CCN1CCC[C@@H]1C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000092633518 634198752 /nfs/dbraw/zinc/19/87/52/634198752.db2.gz YPAHHFYRTBRAOB-HZSPNIEDSA-N 2 0 239.407 1.530 10 0 BDAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)N1CCCCC1 ZINC000094087938 635182816 /nfs/dbraw/zinc/18/28/16/635182816.db2.gz CWSRONKJQAOYOQ-IYXRBSQSSA-N 2 0 239.407 1.720 10 0 BDAERP C[N@H+](C[C@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000055144509 640439084 /nfs/dbraw/zinc/43/90/84/640439084.db2.gz CBAZZQNXYFQMAJ-HTAVTVPLSA-N 2 0 212.337 1.367 10 0 BDAERP CC[NH+]1CCC2(CC1)NCC[C@@H](C(F)F)O2 ZINC000757149055 643333443 /nfs/dbraw/zinc/33/34/43/643333443.db2.gz VUYUBRWEQRLORE-VIFPVBQESA-N 2 0 234.290 1.442 10 0 BDAERP CC(=O)c1cccc([C@@H]2C[C@@H]([NH3+])CC[NH2+]2)c1 ZINC000757211183 643371751 /nfs/dbraw/zinc/37/17/51/643371751.db2.gz GQZVSLOYEFREGN-STQMWFEESA-N 2 0 218.300 1.641 10 0 BDAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000193500222 644247461 /nfs/dbraw/zinc/24/74/61/644247461.db2.gz QAEGALHNCUKZHP-VXGBXAGGSA-N 2 0 241.379 1.152 10 0 BDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH2+]C1CC1 ZINC000251582070 644810346 /nfs/dbraw/zinc/81/03/46/644810346.db2.gz CKMAEGOCMOTJNZ-OCCSQVGLSA-N 2 0 237.391 1.297 10 0 BDAERP CC[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251917078 644830812 /nfs/dbraw/zinc/83/08/12/644830812.db2.gz YEBJTXUOXGBRBZ-UTUOFQBUSA-N 2 0 212.337 1.225 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@H]21 ZINC000252854412 644917531 /nfs/dbraw/zinc/91/75/31/644917531.db2.gz JSCQWLZBEPHUGC-FDYHWXHSSA-N 2 0 224.348 1.225 10 0 BDAERP CCN1CCC[C@@H]([NH2+]C2CC(SC)C2)C1 ZINC000706898887 712159712 /nfs/dbraw/zinc/15/97/12/712159712.db2.gz QUTPLBJFBFPEDM-VOMCLLRMSA-N 2 0 228.405 1.954 10 0 BDAERP C(C[C@@H]1CCCS1)[NH2+]C1CC[NH2+]CC1 ZINC000715751678 712531737 /nfs/dbraw/zinc/53/17/37/712531737.db2.gz UDNGLYICNISCSA-NSHDSACASA-N 2 0 214.378 1.614 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000716527304 712566945 /nfs/dbraw/zinc/56/69/45/712566945.db2.gz BBKIILRVZIUPJQ-UCKQBZRPSA-N 2 0 222.376 1.866 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720893856 712875715 /nfs/dbraw/zinc/87/57/15/712875715.db2.gz PRQBUIYJEUXTCZ-RKDXNWHRSA-N 2 0 245.248 1.716 10 0 BDAERP Cc1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)cc[nH+]1 ZINC000723881558 710732890 /nfs/dbraw/zinc/73/28/90/710732890.db2.gz ADEMBXIRNQGIQU-ZYHUDNBSSA-N 2 0 219.332 1.811 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CC[NH2+]C1 ZINC000722323085 711737063 /nfs/dbraw/zinc/73/70/63/711737063.db2.gz WHCKWZVLGSLQHK-AHLTXXRQSA-N 2 0 238.375 1.532 10 0 BDAERP CO[C@@H]1C[C@@H]([NH2+]C2CC([NH+](C)C)C2)C12CCC2 ZINC000701483224 712024500 /nfs/dbraw/zinc/02/45/00/712024500.db2.gz OSKOLFBQUSDPAV-FIYWTHMPSA-N 2 0 238.375 1.626 10 0 BDAERP C[C@@H]1CN(CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000708852858 712201236 /nfs/dbraw/zinc/20/12/36/712201236.db2.gz CAIBKAPQHIYBOC-SFYZADRCSA-N 2 0 223.147 1.832 10 0 BDAERP C([C@H]1CCCO1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713174517 712453606 /nfs/dbraw/zinc/45/36/06/712453606.db2.gz KJJRCDUGYQZZIK-GFCCVEGCSA-N 2 0 224.348 1.383 10 0 BDAERP COCC1CC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000713982975 712476266 /nfs/dbraw/zinc/47/62/66/712476266.db2.gz MBGNFDJIXSARGE-IGJPJIBNSA-N 2 0 226.364 1.389 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H](C)[C@H]2CCOC2)CC1 ZINC000714754392 712497541 /nfs/dbraw/zinc/49/75/41/712497541.db2.gz TVWBYZRRGIDOJH-RYUDHWBXSA-N 2 0 226.364 1.615 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918028 712786965 /nfs/dbraw/zinc/78/69/65/712786965.db2.gz WKONPCWSXLHUSO-MELADBBJSA-N 2 0 238.375 1.629 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918026 712786986 /nfs/dbraw/zinc/78/69/86/712786986.db2.gz WKONPCWSXLHUSO-HZSPNIEDSA-N 2 0 238.375 1.629 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@@H]1C[NH3+] ZINC000720890417 712875283 /nfs/dbraw/zinc/87/52/83/712875283.db2.gz BINNJIXDTLLJEG-QMVSFRDZSA-N 2 0 238.375 1.471 10 0 BDAERP CN1CC[C@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685953386 538897783 /nfs/dbraw/zinc/89/77/83/538897783.db2.gz GUEXBXDNWSWCNP-QMMMGPOBSA-N 2 0 204.264 1.597 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955098 538900083 /nfs/dbraw/zinc/90/00/83/538900083.db2.gz SVAUVUOTFVCPRE-YVECIDJPSA-N 2 0 226.364 1.756 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCCOCC2 ZINC000685955286 538900330 /nfs/dbraw/zinc/90/03/30/538900330.db2.gz XHRPUWRPVSOMIY-NWDGAFQWSA-N 2 0 212.337 1.369 10 0 BDAERP [NH3+][C@@H]1CCC[C@@]2(c3ccccc3)C[NH2+]C[C@H]12 ZINC000685958392 538906061 /nfs/dbraw/zinc/90/60/61/538906061.db2.gz NTNVBKLXXXJSTC-MCIONIFRSA-N 2 0 216.328 1.655 10 0 BDAERP CC[NH+]1CCN(C2(CC)CC[NH2+]CC2)CC1 ZINC000685960945 538908193 /nfs/dbraw/zinc/90/81/93/538908193.db2.gz HXARNPOIDDMFES-UHFFFAOYSA-N 2 0 225.380 1.156 10 0 BDAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCSC1 ZINC000252126587 398185557 /nfs/dbraw/zinc/18/55/57/398185557.db2.gz LMKTYNGITJBRKS-BBBLOLIVSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1C[C@H]([NH3+])CN1c1ccncc1Cl ZINC000306644460 361835456 /nfs/dbraw/zinc/83/54/56/361835456.db2.gz ZQDJQFCEQDUUKK-SFYZADRCSA-N 2 0 211.696 1.661 10 0 BDAERP CCC(CC)[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655173 168388675 /nfs/dbraw/zinc/38/86/75/168388675.db2.gz VRVWISPJWXMRMU-CQSZACIVSA-N 2 0 241.423 1.791 10 0 BDAERP [NH3+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000212726850 539027925 /nfs/dbraw/zinc/02/79/25/539027925.db2.gz DVYMZSUMQKZFGP-PWSUYJOCSA-N 2 0 204.273 1.201 10 0 BDAERP CC[C@H](CSC)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400560186 529415647 /nfs/dbraw/zinc/41/56/47/529415647.db2.gz LCHOTQOPZJQUMP-OUAUKWLOSA-N 2 0 216.394 1.716 10 0 BDAERP CC[C@H](CSC)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400560184 529415657 /nfs/dbraw/zinc/41/56/57/529415657.db2.gz LCHOTQOPZJQUMP-HBNTYKKESA-N 2 0 216.394 1.716 10 0 BDAERP CC[NH+](CC)CCOc1ccc(CC[NH3+])cc1 ZINC000011958591 343039948 /nfs/dbraw/zinc/03/99/48/343039948.db2.gz ZNLCSYYYVBOUGG-UHFFFAOYSA-N 2 0 236.359 1.908 10 0 BDAERP C[C@H]([NH3+])c1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000142067967 343104462 /nfs/dbraw/zinc/10/44/62/343104462.db2.gz DHPURYZSYLASRT-XQQFMLRXSA-N 2 0 247.386 1.889 10 0 BDAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCSC1 ZINC000126703345 344028738 /nfs/dbraw/zinc/02/87/38/344028738.db2.gz LMKTYNGITJBRKS-KXUCPTDWSA-N 2 0 200.351 1.161 10 0 BDAERP CC[N@@H+]1CCOc2ccc(C[NH3+])cc2C1 ZINC000409423263 343815411 /nfs/dbraw/zinc/81/54/11/343815411.db2.gz PEWFMEZZLXARPW-UHFFFAOYSA-N 2 0 206.289 1.360 10 0 BDAERP CC(F)(F)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000409425728 343820458 /nfs/dbraw/zinc/82/04/58/343820458.db2.gz GPYJJQFXEORTOW-VIFPVBQESA-N 2 0 206.280 1.702 10 0 BDAERP COC[C@H](C)[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C ZINC000128393692 346987102 /nfs/dbraw/zinc/98/71/02/346987102.db2.gz XARJPOALGRMONI-AXFHLTTASA-N 2 0 200.326 1.094 10 0 BDAERP CC[C@](C)(C[NH3+])[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000221977274 349879911 /nfs/dbraw/zinc/87/99/11/349879911.db2.gz ARJOZHQLOALTMG-GARJFASQSA-N 2 0 216.394 1.940 10 0 BDAERP CC(C)C[C@@H]1C[N@H+](CCC[NH3+])CC[C@H]1O ZINC000409435542 343833752 /nfs/dbraw/zinc/83/37/52/343833752.db2.gz VIWHNHDQQDTRCI-VXGBXAGGSA-N 2 0 214.353 1.064 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409436090 343837212 /nfs/dbraw/zinc/83/72/12/343837212.db2.gz YAYSYUVRZQMFCM-LBPRGKRZSA-N 2 0 226.364 1.210 10 0 BDAERP C1CC[C@@H]2[C@@H](C1)COCC[N@@H+]2C1CC[NH2+]CC1 ZINC000409435861 343840218 /nfs/dbraw/zinc/84/02/18/343840218.db2.gz WZNDWOSRBJCHED-GXTWGEPZSA-N 2 0 238.375 1.629 10 0 BDAERP CC1(C)COC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000313136044 343896567 /nfs/dbraw/zinc/89/65/67/343896567.db2.gz ONJMJRGZAIQQBM-VQXHTEKXSA-N 2 0 212.337 1.271 10 0 BDAERP CC(C)=C[C@@H]([NH3+])[C@@H]1CSCCN1C ZINC000234359326 343947853 /nfs/dbraw/zinc/94/78/53/343947853.db2.gz LPBWCXJZKIVLCD-ZJUUUORDSA-N 2 0 200.351 1.327 10 0 BDAERP [NH3+][C@@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000220689377 344567337 /nfs/dbraw/zinc/56/73/37/344567337.db2.gz LCEKUMGOIZRVDC-SCZZXKLOSA-N 2 0 200.351 1.351 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CCCSC2)C[C@@H]1[NH3+] ZINC000235347379 344889647 /nfs/dbraw/zinc/88/96/47/344889647.db2.gz NMHZBGBOMZIEPC-BBBLOLIVSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1SCC[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000235367326 344894635 /nfs/dbraw/zinc/89/46/35/344894635.db2.gz JJOWZEARAYCREZ-WCBMZHEXSA-N 2 0 200.351 1.304 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000248124988 345048083 /nfs/dbraw/zinc/04/80/83/345048083.db2.gz OHDTZRJUOWDDLP-LSDHHAIUSA-N 2 0 248.370 1.431 10 0 BDAERP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999134 345199443 /nfs/dbraw/zinc/19/94/43/345199443.db2.gz QLGUGBDWRMXHNN-SKDRFNHKSA-N 2 0 236.363 1.064 10 0 BDAERP COCc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000634999508 345200655 /nfs/dbraw/zinc/20/06/55/345200655.db2.gz VPFLZGYKTDLLKJ-QWRGUYRKSA-N 2 0 238.331 1.453 10 0 BDAERP CCC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635004588 345208540 /nfs/dbraw/zinc/20/85/40/345208540.db2.gz PQYCPOACFDTEDR-YNEHKIRRSA-N 2 0 228.380 1.515 10 0 BDAERP [NH3+]CCSCCCCSCC[NH3+] ZINC000213630759 345607215 /nfs/dbraw/zinc/60/72/15/345607215.db2.gz NSBOCXAWIIVJOT-UHFFFAOYSA-N 2 0 208.396 1.150 10 0 BDAERP C[C@H](C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377896 537966123 /nfs/dbraw/zinc/96/61/23/537966123.db2.gz ZIQQSXSZORIRHV-UKRRQHHQSA-N 2 0 248.370 1.608 10 0 BDAERP CC(C)[NH+](C[C@@H]1CNC[C@H](C[NH3+])C1)C(C)C ZINC000669378800 537970315 /nfs/dbraw/zinc/97/03/15/537970315.db2.gz NVXJHVFTSYWIDC-STQMWFEESA-N 2 0 227.396 1.290 10 0 BDAERP C[C@H](NC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000580182117 346621358 /nfs/dbraw/zinc/62/13/58/346621358.db2.gz GLAJKSBENFJBHT-YNEHKIRRSA-N 2 0 225.380 1.058 10 0 BDAERP C[NH+]1CCN(c2cc[nH+]c3ccc(N)cc32)CC1 ZINC000034586969 347119066 /nfs/dbraw/zinc/11/90/66/347119066.db2.gz VMBWFQGMSLTGSU-UHFFFAOYSA-N 2 0 242.326 1.569 10 0 BDAERP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000582073873 347175766 /nfs/dbraw/zinc/17/57/66/347175766.db2.gz SOWIOTJXZVIJHV-XQQFMLRXSA-N 2 0 228.380 1.515 10 0 BDAERP CCSCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601327651 347214647 /nfs/dbraw/zinc/21/46/47/347214647.db2.gz YEDCWDNMBRIGAL-VHSXEESVSA-N 2 0 202.367 1.266 10 0 BDAERP CC[N@H+](C)Cc1cc(C[NH3+])c(F)cc1F ZINC000669380299 537988239 /nfs/dbraw/zinc/98/82/39/537988239.db2.gz WWTWRFRSQCHTEL-UHFFFAOYSA-N 2 0 214.259 1.875 10 0 BDAERP Cc1nccn1CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070975622 180253147 /nfs/dbraw/zinc/25/31/47/180253147.db2.gz KFIJYSYAKROCHY-CYBMUJFWSA-N 2 0 236.363 1.395 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)NC1CC[NH2+]CC1 ZINC000038041433 350303006 /nfs/dbraw/zinc/30/30/06/350303006.db2.gz VSXZFTHUQXHFMT-CYBMUJFWSA-N 2 0 227.396 1.304 10 0 BDAERP C[C@H](CC(N)=[NH2+])[N@@H+]1CCSC[C@H]1C ZINC000251893416 362978455 /nfs/dbraw/zinc/97/84/55/362978455.db2.gz VTTVNSLTHKCKHS-HTQZYQBOSA-N 2 0 201.339 1.138 10 0 BDAERP [NH3+]CCN1CCCC[C@H](C(F)(F)F)C1 ZINC000616603807 350795687 /nfs/dbraw/zinc/79/56/87/350795687.db2.gz IMLBJICTKZSMSH-QMMMGPOBSA-N 2 0 210.243 1.610 10 0 BDAERP [NH3+]CCN1CCC[C@@H]1c1cccc(CCO)c1 ZINC000616608530 350804465 /nfs/dbraw/zinc/80/44/65/350804465.db2.gz VACOLYOCBIIQDO-CQSZACIVSA-N 2 0 234.343 1.317 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(N)=[NH2+] ZINC000306787457 351036954 /nfs/dbraw/zinc/03/69/54/351036954.db2.gz QNNZTSIULQLLKQ-GFCCVEGCSA-N 2 0 246.358 1.476 10 0 BDAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000616652418 351191108 /nfs/dbraw/zinc/19/11/08/351191108.db2.gz FWMWQJPKXFOYEL-GFCCVEGCSA-N 2 0 239.750 1.245 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000306870092 351259630 /nfs/dbraw/zinc/25/96/30/351259630.db2.gz UWXNXQPOKVSXDW-SECBINFHSA-N 2 0 202.660 1.828 10 0 BDAERP [NH3+]CC[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616662796 351219285 /nfs/dbraw/zinc/21/92/85/351219285.db2.gz MCNPWGKCZQRBDY-CQSZACIVSA-N 2 0 234.343 1.484 10 0 BDAERP C[C@H]1C[NH2+][C@](C)(C2CC[NH2+]CC2)S1 ZINC000306971386 351392228 /nfs/dbraw/zinc/39/22/28/351392228.db2.gz SCRNPCWWCUKXLO-WPRPVWTQSA-N 2 0 200.351 1.427 10 0 BDAERP C/C(=C/Cl)CN(C)C1CC[NH2+]CC1 ZINC000393350974 351928936 /nfs/dbraw/zinc/92/89/36/351928936.db2.gz SSYGEZZGWGJFSJ-CLFYSBASSA-N 2 0 202.729 1.813 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336670614 187647517 /nfs/dbraw/zinc/64/75/17/187647517.db2.gz FUUNFUWNGOJGLR-NWDGAFQWSA-N 2 0 216.369 1.501 10 0 BDAERP C[NH+]1CCC(NC(=[NH2+])NCc2ccccc2)CC1 ZINC000307460141 352609527 /nfs/dbraw/zinc/60/95/27/352609527.db2.gz FEVKSVSNTDKBFN-UHFFFAOYSA-N 2 0 246.358 1.395 10 0 BDAERP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](C/C=C/Cl)C2 ZINC000307601076 352667008 /nfs/dbraw/zinc/66/70/08/352667008.db2.gz UITIKJHIMDXKGN-UJYZRXPGSA-N 2 0 214.740 1.800 10 0 BDAERP C[C@H]1CC[N@@H+](C2CC([NH3+])C2)CCS1 ZINC000307498326 352626116 /nfs/dbraw/zinc/62/61/16/352626116.db2.gz KEQKDBVEALGPLZ-IDKOKCKLSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1CCC[C@H](C)[N@H+]1C1CCN(CC[NH3+])CC1 ZINC000725273972 538104975 /nfs/dbraw/zinc/10/49/75/538104975.db2.gz ZRQBTHOPOFZPSQ-BETUJISGSA-N 2 0 239.407 1.672 10 0 BDAERP CCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000250755845 535187831 /nfs/dbraw/zinc/18/78/31/535187831.db2.gz FLHHNUFXGIIPSE-BFHYXJOUSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1CS[C@](C)(C2CC[NH2+]CC2)[NH2+]1 ZINC000306583967 353026958 /nfs/dbraw/zinc/02/69/58/353026958.db2.gz RKPDKGIEYJSUPA-PSASIEDQSA-N 2 0 200.351 1.427 10 0 BDAERP [NH3+][C@@H]1CCCN(C[C@H]2CCCSC2)C1 ZINC000307703570 353046602 /nfs/dbraw/zinc/04/66/02/353046602.db2.gz VTVFSKMXNOBQQC-GHMZBOCLSA-N 2 0 214.378 1.553 10 0 BDAERP CC(C)[C@H]([NH3+])CN(C)[C@@H]1CCSC1 ZINC000037175239 188279254 /nfs/dbraw/zinc/27/92/54/188279254.db2.gz RBRUEMPYYLIPHX-NXEZZACHSA-N 2 0 202.367 1.407 10 0 BDAERP CC(C)C[C@H]([NH3+])CN(CC[NH+](C)C)CC(C)C ZINC000042781903 188294740 /nfs/dbraw/zinc/29/47/40/188294740.db2.gz AFDVQOQRFUGTAT-AWEZNQCLSA-N 2 0 243.439 1.879 10 0 BDAERP C([NH2+]C1CC1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000053660061 188300246 /nfs/dbraw/zinc/30/02/46/188300246.db2.gz RHGCSKZKGSYEAB-CQSZACIVSA-N 2 0 238.375 1.629 10 0 BDAERP C[NH2+]Cc1ccc(CN2CC[C@H]([NH+](C)C)C2)o1 ZINC000062971605 188304048 /nfs/dbraw/zinc/30/40/48/188304048.db2.gz RGQKFUIWWZIAOL-NSHDSACASA-N 2 0 237.347 1.135 10 0 BDAERP C([C@H]1CC12CC[NH2+]CC2)[NH+]1CCCCC1 ZINC000070257084 188304924 /nfs/dbraw/zinc/30/49/24/188304924.db2.gz SKGZJAIOTTYHQJ-GFCCVEGCSA-N 2 0 208.349 1.862 10 0 BDAERP COc1ccc([C@H](CC[NH3+])C[NH+](C)C)cc1 ZINC000076611348 188309761 /nfs/dbraw/zinc/30/97/61/188309761.db2.gz CSYHCGIPRQHGDC-GFCCVEGCSA-N 2 0 222.332 1.689 10 0 BDAERP CC(C)[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000083367455 188316039 /nfs/dbraw/zinc/31/60/39/188316039.db2.gz POHCXUTWGSUPLM-OCCSQVGLSA-N 2 0 239.407 1.399 10 0 BDAERP C(C1CC[NH2+]CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000169726666 188338929 /nfs/dbraw/zinc/33/89/29/188338929.db2.gz YMNRSSWKBQXIIX-ZDUSSCGKSA-N 2 0 208.349 1.718 10 0 BDAERP C[C@@H]1C[C@H]([NH3+])CN([C@H]2CCSC2)C1 ZINC000252214121 363219657 /nfs/dbraw/zinc/21/96/57/363219657.db2.gz YUSCOBXIBFGZEY-UTLUCORTSA-N 2 0 200.351 1.161 10 0 BDAERP CC1(C)CN([C@@H]2CC[NH2+]C2)CCS1 ZINC000160220198 353739231 /nfs/dbraw/zinc/73/92/31/353739231.db2.gz CRKQXCSTIVBHTD-SECBINFHSA-N 2 0 200.351 1.176 10 0 BDAERP Cc1cc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000630079153 363286447 /nfs/dbraw/zinc/28/64/47/363286447.db2.gz WRHOOQVQPLXPQK-SCZZXKLOSA-N 2 0 209.293 1.010 10 0 BDAERP [NH3+][C@@H](CC[NH+]1CCCC1)c1ccncc1 ZINC000083986072 355213701 /nfs/dbraw/zinc/21/37/01/355213701.db2.gz PBPHEBOGIGCYBN-LBPRGKRZSA-N 2 0 205.305 1.567 10 0 BDAERP C[C@H]1C[NH+](CCC2C[NH2+]C2)C[C@H](C)S1 ZINC000129712113 355923652 /nfs/dbraw/zinc/92/36/52/355923652.db2.gz MSLINHDEHFZICR-UWVGGRQHSA-N 2 0 214.378 1.422 10 0 BDAERP CCC[N@H+](CC)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675079354 538517393 /nfs/dbraw/zinc/51/73/93/538517393.db2.gz FJWSNJGNGZACDP-RYUDHWBXSA-N 2 0 226.364 1.615 10 0 BDAERP [NH3+][C@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675079450 538518785 /nfs/dbraw/zinc/51/87/85/538518785.db2.gz FCDMCMMHHKMLCB-AWEZNQCLSA-N 2 0 246.354 1.769 10 0 BDAERP CCN1CC[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000257789118 538765521 /nfs/dbraw/zinc/76/55/21/538765521.db2.gz WWIMIKNQYNZODE-CHWSQXEVSA-N 2 0 225.380 1.141 10 0 BDAERP CCN1CC[NH+]([C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000257789121 538767085 /nfs/dbraw/zinc/76/70/85/538767085.db2.gz WWIMIKNQYNZODE-QWHCGFSZSA-N 2 0 225.380 1.141 10 0 BDAERP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)C[C@H](C)S1 ZINC000168788516 357233065 /nfs/dbraw/zinc/23/30/65/357233065.db2.gz MQJQRHOWBUQZFU-AOOOYVTPSA-N 2 0 214.378 1.551 10 0 BDAERP Cc1c[nH+]cc(C)c1N1CC[NH2+][C@H](C)[C@H]1C ZINC000685951399 538894931 /nfs/dbraw/zinc/89/49/31/538894931.db2.gz SEGAJXKXEZZCEB-VXGBXAGGSA-N 2 0 219.332 1.885 10 0 BDAERP CCC(=O)C1(N2CCCCC2)CC[NH2+]CC1 ZINC000584621226 358288361 /nfs/dbraw/zinc/28/83/61/358288361.db2.gz VLYUSQIMVCIQJP-UHFFFAOYSA-N 2 0 224.348 1.574 10 0 BDAERP [NH3+]C1CC[NH+]([C@@H]2CCCC[C@@H]2F)CC1 ZINC000584636443 358321049 /nfs/dbraw/zinc/32/10/49/358321049.db2.gz HKYCSSLAOJZWDS-WDEREUQCSA-N 2 0 200.301 1.690 10 0 BDAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000229606665 358405248 /nfs/dbraw/zinc/40/52/48/358405248.db2.gz ZSEMICTWGUNAHL-IJLUTSLNSA-N 2 0 214.353 1.220 10 0 BDAERP C[C@H]1C[NH2+]CC[C@H]1[NH+]1CCSCC1 ZINC000306437648 359946734 /nfs/dbraw/zinc/94/67/34/359946734.db2.gz MBAANRQVYRCZNL-VHSXEESVSA-N 2 0 200.351 1.033 10 0 BDAERP CC[N@@H+]1CC[C@@H](CNCc2cnn(C)c2C)C1 ZINC000093649991 360266447 /nfs/dbraw/zinc/26/64/47/360266447.db2.gz UFXBNKVERBSWNB-LBPRGKRZSA-N 2 0 236.363 1.160 10 0 BDAERP CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000309454696 491148596 /nfs/dbraw/zinc/14/85/96/491148596.db2.gz QQGXCZQPJRTWSE-GFCCVEGCSA-N 2 0 226.364 1.223 10 0 BDAERP C[C@@H]([C@H]1CC[NH2+]C1)[N@@H+]1CCSC[C@H]1C ZINC000306577057 360465190 /nfs/dbraw/zinc/46/51/90/360465190.db2.gz KYWWXDRXWAVKOQ-VWYCJHECSA-N 2 0 214.378 1.422 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000306611960 360852602 /nfs/dbraw/zinc/85/26/02/360852602.db2.gz HNBAKRAUBSVJDN-DCAQKATOSA-N 2 0 214.378 1.612 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000306620603 361204310 /nfs/dbraw/zinc/20/43/10/361204310.db2.gz UZGLWIKJBOMVSK-QMMMGPOBSA-N 2 0 245.120 1.503 10 0 BDAERP C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000579342243 366761868 /nfs/dbraw/zinc/76/18/68/366761868.db2.gz ZDWBVOHAUYWEEP-MELADBBJSA-N 2 0 240.391 1.781 10 0 BDAERP C1CC1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CO1 ZINC000629547773 361431986 /nfs/dbraw/zinc/43/19/86/361431986.db2.gz LUVDVKVEZLYUOD-AGIUHOORSA-N 2 0 224.348 1.286 10 0 BDAERP NC1=[NH+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2S1 ZINC000077098369 181339474 /nfs/dbraw/zinc/33/94/74/181339474.db2.gz ZDQQMIMTDGBXBH-VXGBXAGGSA-N 2 0 247.367 1.691 10 0 BDAERP [NH2+]=C1Nc2ccc(Cl)cc2NC(=[NH2+])N1 ZINC000206127922 181340579 /nfs/dbraw/zinc/34/05/79/181340579.db2.gz LBIHDGHZTMITPX-UHFFFAOYSA-N 2 0 209.640 1.026 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@@H]2CSCCS2)CC1 ZINC000229590612 181341515 /nfs/dbraw/zinc/34/15/15/181341515.db2.gz ZHQWFWYSJDFDIJ-VQXHTEKXSA-N 2 0 246.445 1.695 10 0 BDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCn1ccnc1 ZINC000054601905 181345012 /nfs/dbraw/zinc/34/50/12/181345012.db2.gz AQTIBNXRNOCTTQ-AGUYFDCRSA-N 2 0 248.374 1.617 10 0 BDAERP CCCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630354778 364077776 /nfs/dbraw/zinc/07/77/76/364077776.db2.gz AYCMXHCWESRCDL-GHMZBOCLSA-N 2 0 200.326 1.225 10 0 BDAERP CO[C@H]1C[N@H+](CC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630364729 364082911 /nfs/dbraw/zinc/08/29/11/364082911.db2.gz SIXDZFRNQORNAV-OLZOCXBDSA-N 2 0 226.364 1.615 10 0 BDAERP CO[C@@H]1C[N@H+](CC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630364730 364083415 /nfs/dbraw/zinc/08/34/15/364083415.db2.gz SIXDZFRNQORNAV-QWHCGFSZSA-N 2 0 226.364 1.615 10 0 BDAERP CO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@@](C)(C[NH3+])C1 ZINC000630366761 364086349 /nfs/dbraw/zinc/08/63/49/364086349.db2.gz LOZOKFSGMGGVHN-ZUWCUPBKSA-N 2 0 238.375 1.471 10 0 BDAERP Cc1[nH+]ccc(N[C@@H]2CC[NH2+][C@H]2C)c1Cl ZINC000630546531 364240038 /nfs/dbraw/zinc/24/00/38/364240038.db2.gz WZGPWRGNQZAXTB-IONNQARKSA-N 2 0 225.723 1.628 10 0 BDAERP [NH3+]CCCOCCNc1cc[nH+]c2ccccc12 ZINC000630534504 364226871 /nfs/dbraw/zinc/22/68/71/364226871.db2.gz LVFTVRDITHNFBS-UHFFFAOYSA-N 2 0 245.326 1.434 10 0 BDAERP CC[C@H]1C[NH+](C[C@H]2C[C@H]([NH3+])C2)C[C@H](CC)O1 ZINC000675054319 541434039 /nfs/dbraw/zinc/43/40/39/541434039.db2.gz RYHWXEQAKKPQEB-CYDGBPFRSA-N 2 0 226.364 1.613 10 0 BDAERP [NH3+]CCCN[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671479 181384170 /nfs/dbraw/zinc/38/41/70/181384170.db2.gz UBTDEODYTFHFDG-OAHLLOKOSA-N 2 0 247.386 1.242 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000575372893 365302709 /nfs/dbraw/zinc/30/27/09/365302709.db2.gz CRTQLJLTMJINCY-RFQIPJPRSA-N 2 0 240.391 1.515 10 0 BDAERP CS[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575914813 365412119 /nfs/dbraw/zinc/41/21/19/365412119.db2.gz FUADHCPNZPHRPK-GMTAPVOTSA-N 2 0 216.394 1.716 10 0 BDAERP CS[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000575914816 365412182 /nfs/dbraw/zinc/41/21/82/365412182.db2.gz FUADHCPNZPHRPK-VWYCJHECSA-N 2 0 216.394 1.716 10 0 BDAERP CCC(CC)(CO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579941820 367092113 /nfs/dbraw/zinc/09/21/13/367092113.db2.gz APVVYNWWFCUZOI-QWHCGFSZSA-N 2 0 242.407 1.763 10 0 BDAERP CCC(CC)(CO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000579941819 367092905 /nfs/dbraw/zinc/09/29/05/367092905.db2.gz APVVYNWWFCUZOI-OLZOCXBDSA-N 2 0 242.407 1.763 10 0 BDAERP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000581005728 367231279 /nfs/dbraw/zinc/23/12/79/367231279.db2.gz DWBFIUFFKWRDOI-AGIUHOORSA-N 2 0 239.407 1.447 10 0 BDAERP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000581005730 367231528 /nfs/dbraw/zinc/23/15/28/367231528.db2.gz DWBFIUFFKWRDOI-FRRDWIJNSA-N 2 0 239.407 1.447 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000380758786 367299031 /nfs/dbraw/zinc/29/90/31/367299031.db2.gz VRFWMHBJEQRHDB-CHWSQXEVSA-N 2 0 227.396 1.447 10 0 BDAERP Cc1cc(N[C@@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000383481893 367626222 /nfs/dbraw/zinc/62/62/22/367626222.db2.gz OGFNKZQBEMUDNW-VIFPVBQESA-N 2 0 215.247 1.206 10 0 BDAERP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000384235286 367679467 /nfs/dbraw/zinc/67/94/67/367679467.db2.gz HYUWZCZVNIJSAM-NXEZZACHSA-N 2 0 240.376 1.454 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252981169 368176234 /nfs/dbraw/zinc/17/62/34/368176234.db2.gz PYKJBTVBLRMNEU-BBBLOLIVSA-N 2 0 200.351 1.351 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)CCS1 ZINC000252979922 368176259 /nfs/dbraw/zinc/17/62/59/368176259.db2.gz KAXTYSDKLPVSHQ-OUAUKWLOSA-N 2 0 214.378 1.551 10 0 BDAERP [NH3+]C[C@@H]1C[NH2+]C[C@H](COc2ccccc2)C1 ZINC000038458042 368326690 /nfs/dbraw/zinc/32/66/90/368326690.db2.gz RPHGNNWPPGODRX-VXGBXAGGSA-N 2 0 220.316 1.250 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631837773 369102395 /nfs/dbraw/zinc/10/23/95/369102395.db2.gz WRMIZCRVWIEOLT-WOPDTQHZSA-N 2 0 212.337 1.082 10 0 BDAERP [NH3+]Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000011864744 181488973 /nfs/dbraw/zinc/48/89/73/181488973.db2.gz HPPJNEJDJUXYFY-UHFFFAOYSA-N 2 0 220.316 1.620 10 0 BDAERP C[C@H]1SCC[N@H+](CC(C)(C)C[NH3+])[C@H]1C ZINC000132517119 371847006 /nfs/dbraw/zinc/84/70/06/371847006.db2.gz IMUVDYHGCWHFGV-VHSXEESVSA-N 2 0 216.394 1.797 10 0 BDAERP CC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CCS1 ZINC000133027731 371974569 /nfs/dbraw/zinc/97/45/69/371974569.db2.gz IUNXZEBLQKOZBD-LLVKDONJSA-N 2 0 214.378 1.566 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(N)=[NH2+] ZINC000306876906 372075270 /nfs/dbraw/zinc/07/52/70/372075270.db2.gz CBMGVEHJPYJJIR-WCQYABFASA-N 2 0 246.358 1.380 10 0 BDAERP C[C@H](C[NH+](C)C)NC1=[NH+][C@@H](C)CCS1 ZINC000133740880 372099193 /nfs/dbraw/zinc/09/91/93/372099193.db2.gz NQBBEAXKWZFFAF-DTWKUNHWSA-N 2 0 215.366 1.408 10 0 BDAERP Cc1cc(C)n(CC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631837067 372627491 /nfs/dbraw/zinc/62/74/91/372627491.db2.gz MJSHGBRMLQLKPE-GXFFZTMASA-N 2 0 236.363 1.027 10 0 BDAERP Cc1nc(C)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631837895 372630344 /nfs/dbraw/zinc/63/03/44/372630344.db2.gz GWNTVCGQXKZWRH-KCJUWKMLSA-N 2 0 239.388 1.787 10 0 BDAERP NC(=[NH2+])N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070286810 374138391 /nfs/dbraw/zinc/13/83/91/374138391.db2.gz YXGISAWNHGOUSJ-LBPRGKRZSA-N 2 0 232.331 1.134 10 0 BDAERP OCC1([NH2+]C2CCCCCC2)CC[NH2+]CC1 ZINC000040695548 183036646 /nfs/dbraw/zinc/03/66/46/183036646.db2.gz BJBYUTLQWYJRON-UHFFFAOYSA-N 2 0 226.364 1.413 10 0 BDAERP CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000049184912 169007053 /nfs/dbraw/zinc/00/70/53/169007053.db2.gz MSOSRSKPYUWVDB-NEPJUHHUSA-N 2 0 241.379 1.104 10 0 BDAERP O[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904453 183189467 /nfs/dbraw/zinc/18/94/67/183189467.db2.gz UPKNQDIAOVAOOI-FPMFFAJLSA-N 2 0 238.375 1.364 10 0 BDAERP CCC[N@H+](CCO)CC1(C[NH2+]CC)CCCC1 ZINC000051252742 169164759 /nfs/dbraw/zinc/16/47/59/169164759.db2.gz FAIQUMPCEXPRTA-UHFFFAOYSA-N 2 0 242.407 1.861 10 0 BDAERP CCC[NH+]1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC000054134886 169205458 /nfs/dbraw/zinc/20/54/58/169205458.db2.gz KZHAILSDAWEEOT-ZDUSSCGKSA-N 2 0 225.380 1.156 10 0 BDAERP CCCN1CC[NH+]([C@H](C)CCC[NH3+])CC1 ZINC000052421941 169202918 /nfs/dbraw/zinc/20/29/18/169202918.db2.gz NBBBTYKFJCMATG-GFCCVEGCSA-N 2 0 213.369 1.141 10 0 BDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000022169946 169203583 /nfs/dbraw/zinc/20/35/83/169203583.db2.gz JTPALBBBTYNCGW-CQSZACIVSA-N 2 0 248.374 1.109 10 0 BDAERP CCC[NH2+]C1CCN([C@@H](C)CC[NH+](C)C)CC1 ZINC000049557910 169255350 /nfs/dbraw/zinc/25/53/50/169255350.db2.gz PSMZDQWLJSAXCH-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@@H](C)C[NH+](CCOC)CCOC ZINC000052571367 169261615 /nfs/dbraw/zinc/26/16/15/169261615.db2.gz ZUXVMVYRSMCFMC-CYBMUJFWSA-N 2 0 246.395 1.217 10 0 BDAERP CCC[NH2+]C[C@@H]1CC[C@@H](COCC[NH+](C)C)O1 ZINC000052669854 169262667 /nfs/dbraw/zinc/26/26/67/169262667.db2.gz AJLSMPHHPIPJDX-STQMWFEESA-N 2 0 244.379 1.112 10 0 BDAERP CCC[NH2+][C@H](C)CCN1CC[N@H+](C)C(C)(C)C1 ZINC000104127159 169285904 /nfs/dbraw/zinc/28/59/04/169285904.db2.gz JRTAFQGFZJGBGT-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2C)CCOC1 ZINC000051205793 169263392 /nfs/dbraw/zinc/26/33/92/169263392.db2.gz FSLMOTZMVSCZMY-UONOGXRCSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[NH2+][C@@H](C)[C@H]1CCCN(CC[NH+](C)C)C1 ZINC000104421692 169275933 /nfs/dbraw/zinc/27/59/33/169275933.db2.gz OKECURDVGIMDIX-KBPBESRZSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+][C@@H]1CCN([C@@H]2CCC[N@H+](CC)C2)C1 ZINC000049216656 169283501 /nfs/dbraw/zinc/28/35/01/169283501.db2.gz OIMHXEANWDZBSY-ZIAGYGMSSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH+](C)CCC[NH2+]C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000035014594 383825585 /nfs/dbraw/zinc/82/55/85/383825585.db2.gz MQTWLMDOKLTUME-AGIUHOORSA-N 2 0 208.349 1.740 10 0 BDAERP COC1(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCCC1 ZINC000319225147 384215383 /nfs/dbraw/zinc/21/53/83/384215383.db2.gz UGTRSKWHGFIZAV-RWMBFGLXSA-N 2 0 238.375 1.615 10 0 BDAERP Cc1c[nH+]ccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335581978 384346806 /nfs/dbraw/zinc/34/68/06/384346806.db2.gz OUDLGNCZNCFFCX-MNOVXSKESA-N 2 0 205.305 1.351 10 0 BDAERP C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000095075938 384350127 /nfs/dbraw/zinc/35/01/27/384350127.db2.gz JKXQRHRSEWMWBN-ZIAGYGMSSA-N 2 0 234.343 1.089 10 0 BDAERP CN(CCOCC[NH3+])c1cc[nH+]c2ccccc21 ZINC000305984695 384561442 /nfs/dbraw/zinc/56/14/42/384561442.db2.gz IIUXLCFDLFJALY-UHFFFAOYSA-N 2 0 245.326 1.646 10 0 BDAERP C[C@H](c1ccnn1C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310362398 384792957 /nfs/dbraw/zinc/79/29/57/384792957.db2.gz KTCNQEUUQBGEEY-NQBHXWOUSA-N 2 0 236.363 1.398 10 0 BDAERP CO[C@@H](C)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000308549437 384796852 /nfs/dbraw/zinc/79/68/52/384796852.db2.gz SUHWQGLQQVLQLQ-WDEREUQCSA-N 2 0 200.326 1.143 10 0 BDAERP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000335583088 384930678 /nfs/dbraw/zinc/93/06/78/384930678.db2.gz URPQCUDZRXVWIF-QWRGUYRKSA-N 2 0 205.305 1.494 10 0 BDAERP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000258881596 384943347 /nfs/dbraw/zinc/94/33/47/384943347.db2.gz KNEJMCGBQFXDAZ-GFCCVEGCSA-N 2 0 220.316 1.394 10 0 BDAERP C[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647032439 385167600 /nfs/dbraw/zinc/16/76/00/385167600.db2.gz JTDCYSFDHJITSV-NSHDSACASA-N 2 0 249.358 1.086 10 0 BDAERP CO[C@H]1C[N@H+](C(C)C)[C@H]1C1CC[NH2+]CC1 ZINC000169676815 385417585 /nfs/dbraw/zinc/41/75/85/385417585.db2.gz WLEJSTDJPLZDDI-RYUDHWBXSA-N 2 0 212.337 1.094 10 0 BDAERP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC[NH3+])C12CCC2 ZINC000336734013 385653343 /nfs/dbraw/zinc/65/33/43/385653343.db2.gz GZPVGQBXZSLYTQ-HBNTYKKESA-N 2 0 212.337 1.128 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCSC1 ZINC000307161216 385662557 /nfs/dbraw/zinc/66/25/57/385662557.db2.gz WWDSUDMXZZGSEY-JTQLQIEISA-N 2 0 214.378 1.471 10 0 BDAERP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000647800427 385806618 /nfs/dbraw/zinc/80/66/18/385806618.db2.gz AZGLJTXIZDRXQO-AEJSXWLSSA-N 2 0 220.307 1.865 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000647971252 386510096 /nfs/dbraw/zinc/51/00/96/386510096.db2.gz ZZPQGPAXYNTFFL-IHRRRGAJSA-N 2 0 240.391 1.421 10 0 BDAERP COCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400741780 533177424 /nfs/dbraw/zinc/17/74/24/533177424.db2.gz SXZIJMRMLORDBT-VXGBXAGGSA-N 2 0 228.380 1.637 10 0 BDAERP C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1cccnc1 ZINC000396576362 386782032 /nfs/dbraw/zinc/78/20/32/386782032.db2.gz NEXPLDFFYDEODQ-GMXVVIOVSA-N 2 0 219.332 1.873 10 0 BDAERP CC(C)C[C@@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336670615 386806690 /nfs/dbraw/zinc/80/66/90/386806690.db2.gz FUUNFUWNGOJGLR-RYUDHWBXSA-N 2 0 216.369 1.501 10 0 BDAERP CC(F)(F)CC[NH2+]C1CCC([NH3+])CC1 ZINC000357714745 386831624 /nfs/dbraw/zinc/83/16/24/386831624.db2.gz IJAYXPJZACPKKO-UHFFFAOYSA-N 2 0 206.280 1.891 10 0 BDAERP CCOc1cc([C@H]([NH3+])CCC[NH3+])ccc1O ZINC000575438877 387118913 /nfs/dbraw/zinc/11/89/13/387118913.db2.gz DVZXLWQUGDTJDC-SNVBAGLBSA-N 2 0 224.304 1.530 10 0 BDAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(O)cc1F ZINC000575439102 387121584 /nfs/dbraw/zinc/12/15/84/387121584.db2.gz SNOGVSXGFUWIIB-LLVKDONJSA-N 2 0 212.268 1.660 10 0 BDAERP COc1ccc([C@@H]([NH3+])CCCC[NH3+])c(F)c1 ZINC000575439482 387123116 /nfs/dbraw/zinc/12/31/16/387123116.db2.gz AGZBJAPZDRIINQ-LBPRGKRZSA-N 2 0 226.295 1.963 10 0 BDAERP COc1cc([C@H]([NH3+])CCCC[NH3+])ccc1O ZINC000575439964 387125558 /nfs/dbraw/zinc/12/55/58/387125558.db2.gz PLXISOSTWHIYLX-SNVBAGLBSA-N 2 0 224.304 1.530 10 0 BDAERP COc1cc(F)c([C@H]([NH3+])CCC[NH3+])c(F)c1 ZINC000575438348 387129259 /nfs/dbraw/zinc/12/92/59/387129259.db2.gz IVRJRAHFQZIENG-SNVBAGLBSA-N 2 0 230.258 1.712 10 0 BDAERP CCCCOCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000229341839 387172765 /nfs/dbraw/zinc/17/27/65/387172765.db2.gz WHIIGINXNVOCKZ-ZDUSSCGKSA-N 2 0 228.380 1.925 10 0 BDAERP C[C@H]1C[N@H+](C[C@H]2C[C@H]([NH3+])C2)CCS1 ZINC000575485412 387254354 /nfs/dbraw/zinc/25/43/54/387254354.db2.gz OOMAUUDILLTUPM-GUBZILKMSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@H]([NH2+]CCCOC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000643488131 387362316 /nfs/dbraw/zinc/36/23/16/387362316.db2.gz HJHQVTCGPWTYSL-VHSXEESVSA-N 2 0 236.306 1.593 10 0 BDAERP CC[NH+](CC)CCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000515516620 387384254 /nfs/dbraw/zinc/38/42/54/387384254.db2.gz AHOUOTHZMUSMAG-KGLIPLIRSA-N 2 0 241.423 1.696 10 0 BDAERP [NH3+]C1CC[NH+](CC2SCCS2)CC1 ZINC000575497821 387326007 /nfs/dbraw/zinc/32/60/07/387326007.db2.gz MELFUNVRNXPTLC-UHFFFAOYSA-N 2 0 218.391 1.216 10 0 BDAERP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCC[C@H]1O ZINC000352668004 387428566 /nfs/dbraw/zinc/42/85/66/387428566.db2.gz OVTQRPRNFKMBHH-QWHCGFSZSA-N 2 0 226.364 1.318 10 0 BDAERP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000396923428 387515106 /nfs/dbraw/zinc/51/51/06/387515106.db2.gz POKPFQBOBZAMTQ-YUMQZZPRSA-N 2 0 210.243 1.526 10 0 BDAERP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000300409710 387520129 /nfs/dbraw/zinc/52/01/29/387520129.db2.gz NSCJJIJRVKNILN-KBPBESRZSA-N 2 0 248.374 1.408 10 0 BDAERP [NH3+]C1CCC([NH2+]CCCc2ccccn2)CC1 ZINC000423002128 387807084 /nfs/dbraw/zinc/80/70/84/387807084.db2.gz YJLCYTBNJGMKQL-UHFFFAOYSA-N 2 0 233.359 1.874 10 0 BDAERP C[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCS1 ZINC000245587514 387964765 /nfs/dbraw/zinc/96/47/65/387964765.db2.gz FFAHLMFXPGDBOF-NWDGAFQWSA-N 2 0 228.405 1.908 10 0 BDAERP [NH3+][C@@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261527270 135150705 /nfs/dbraw/zinc/15/07/05/135150705.db2.gz IYQVIYLVIGCNFX-NXEZZACHSA-N 2 0 218.291 1.845 10 0 BDAERP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494504 388103483 /nfs/dbraw/zinc/10/34/83/388103483.db2.gz BJJMVYFDYBIFCV-RVMXOQNASA-N 2 0 226.364 1.268 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166592561 388254815 /nfs/dbraw/zinc/25/48/15/388254815.db2.gz MHPDAJAMKLSBIX-JHJVBQTASA-N 2 0 240.391 1.610 10 0 BDAERP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCSC[C@@H]1C ZINC000228600384 388386290 /nfs/dbraw/zinc/38/62/90/388386290.db2.gz MCGVFZNMQLJIIE-GUBZILKMSA-N 2 0 202.367 1.407 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CS1 ZINC000307367270 388423706 /nfs/dbraw/zinc/42/37/06/388423706.db2.gz MTAAWOVLSLMSNZ-VWYCJHECSA-N 2 0 214.378 1.612 10 0 BDAERP CC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000517024009 388533175 /nfs/dbraw/zinc/53/31/75/388533175.db2.gz NFKPRWYLBIBPCO-UPJWGTAASA-N 2 0 228.380 1.373 10 0 BDAERP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517918248 388597514 /nfs/dbraw/zinc/59/75/14/388597514.db2.gz ADYZANLHZWPYLT-MELADBBJSA-N 2 0 241.423 1.694 10 0 BDAERP COc1cc([C@@H]([NH3+])CCC[NH3+])ccc1O ZINC000575440041 388630579 /nfs/dbraw/zinc/63/05/79/388630579.db2.gz HWXBPFTUSMHYJI-VIFPVBQESA-N 2 0 210.277 1.140 10 0 BDAERP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000530224845 388634178 /nfs/dbraw/zinc/63/41/78/388634178.db2.gz MQHYSVZIJPECBY-PDWLFKFUSA-N 2 0 226.364 1.386 10 0 BDAERP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252791915 388785277 /nfs/dbraw/zinc/78/52/77/388785277.db2.gz UROPBMCZFOKPNX-QJPTWQEYSA-N 2 0 212.337 1.022 10 0 BDAERP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CCC[NH2+]C1 ZINC000566088881 388986743 /nfs/dbraw/zinc/98/67/43/388986743.db2.gz FOVQISWERCHGML-NWDGAFQWSA-N 2 0 242.407 1.761 10 0 BDAERP CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089201 388986859 /nfs/dbraw/zinc/98/68/59/388986859.db2.gz FGDIYWIMBITZSS-WOPDTQHZSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@@H]([NH2+]Cc1cccs1)[C@H]1CC[NH2+]C1 ZINC000400573351 533463525 /nfs/dbraw/zinc/46/35/25/533463525.db2.gz OINGIQONDQFYAW-ZJUUUORDSA-N 2 0 210.346 1.836 10 0 BDAERP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000306966889 533548181 /nfs/dbraw/zinc/54/81/81/533548181.db2.gz MCRFFJDVKQIGQN-ZNSHCXBVSA-N 2 0 214.378 1.326 10 0 BDAERP [NH3+]Cc1ccccc1N1CC[NH+](CC2CC2)CC1 ZINC000020266338 132330668 /nfs/dbraw/zinc/33/06/68/132330668.db2.gz VRXYRUXRCKBIMN-UHFFFAOYSA-N 2 0 245.370 1.677 10 0 BDAERP CC(C)[NH+]1CCN(c2ncccc2C[NH3+])CC1 ZINC000036170429 132340362 /nfs/dbraw/zinc/34/03/62/132340362.db2.gz RNFCMFDEQBBDDZ-UHFFFAOYSA-N 2 0 234.347 1.071 10 0 BDAERP C[NH+]1CCN(c2cccc(F)c2C[NH3+])CC1 ZINC000071525117 132394079 /nfs/dbraw/zinc/39/40/79/132394079.db2.gz HCZNEZRHMLYYAE-UHFFFAOYSA-N 2 0 223.295 1.036 10 0 BDAERP [NH3+][C@@H]1CC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000071560190 132394287 /nfs/dbraw/zinc/39/42/87/132394287.db2.gz MRJBUNZFLMZWFS-HIFRSBDPSA-N 2 0 245.370 1.688 10 0 BDAERP [NH3+]C[C@H]1CCCCN1Cc1ccc2c[nH]nc2c1 ZINC000336056436 134066459 /nfs/dbraw/zinc/06/64/59/134066459.db2.gz YXELESUGWJBFSM-CYBMUJFWSA-N 2 0 244.342 1.876 10 0 BDAERP C[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)[C@H]1CO ZINC000248989068 135029913 /nfs/dbraw/zinc/02/99/13/135029913.db2.gz WVOCMTSQHRZRCL-OLZOCXBDSA-N 2 0 226.364 1.175 10 0 BDAERP CC(C)C[C@H]([NH3+])CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000251419452 135069863 /nfs/dbraw/zinc/06/98/63/135069863.db2.gz PMGVUMFEERJODY-STQMWFEESA-N 2 0 227.396 1.243 10 0 BDAERP CC(C)OCC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261538072 135175172 /nfs/dbraw/zinc/17/51/72/135175172.db2.gz XIVQDYAECOXKIM-NSHDSACASA-N 2 0 214.353 1.471 10 0 BDAERP CCC1(C[N@@H+]2CC[C@H](C[NH3+])C2)CCOCC1 ZINC000261560911 135201850 /nfs/dbraw/zinc/20/18/50/135201850.db2.gz AIGUCKKMFQCTKX-GFCCVEGCSA-N 2 0 226.364 1.474 10 0 BDAERP C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000348185633 136044508 /nfs/dbraw/zinc/04/45/08/136044508.db2.gz BWICRPDCUDVSFF-QJPTWQEYSA-N 2 0 212.337 1.238 10 0 BDAERP CC(C)[NH2+]C[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000052424087 167111138 /nfs/dbraw/zinc/11/11/38/167111138.db2.gz ZXYXCOBFEXEGIW-GFCCVEGCSA-N 2 0 213.369 1.010 10 0 BDAERP COc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1F ZINC000259025029 322880868 /nfs/dbraw/zinc/88/08/68/322880868.db2.gz ZDFDOVMKZPRBKW-NSHDSACASA-N 2 0 238.306 1.533 10 0 BDAERP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000665274085 410743728 /nfs/dbraw/zinc/74/37/28/410743728.db2.gz JKSPTKRLEWKOFV-RDBSUJKOSA-N 2 0 239.407 1.448 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCS[C@@H](C)C1 ZINC000309302481 410792049 /nfs/dbraw/zinc/79/20/49/410792049.db2.gz YVPQKEYJAHRNHJ-RYUDHWBXSA-N 2 0 246.420 1.125 10 0 BDAERP Cc1cc[nH+]c(NCCC2(C[NH3+])CC2)c1 ZINC000395921201 410868834 /nfs/dbraw/zinc/86/88/34/410868834.db2.gz XPUFQBXTQSJBKM-UHFFFAOYSA-N 2 0 205.305 1.931 10 0 BDAERP CC(C)C[NH+]1CCN(C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055079096 166971326 /nfs/dbraw/zinc/97/13/26/166971326.db2.gz LUKMKSGKKJSHKN-CYBMUJFWSA-N 2 0 241.423 1.633 10 0 BDAERP CC(C)[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000053033575 167113944 /nfs/dbraw/zinc/11/39/44/167113944.db2.gz GFTUSEUPQNTIJT-KBPBESRZSA-N 2 0 240.391 1.875 10 0 BDAERP CC(C)[NH2+]C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000104196078 167114210 /nfs/dbraw/zinc/11/42/10/167114210.db2.gz MUDWIRCEWUWXPW-AWEZNQCLSA-N 2 0 240.391 1.733 10 0 BDAERP CC(C)[NH2+]Cc1csc(CC[NH+](C)C)n1 ZINC000062214826 167121861 /nfs/dbraw/zinc/12/18/61/167121861.db2.gz ZTHWQRLLHKCTNU-UHFFFAOYSA-N 2 0 227.377 1.745 10 0 BDAERP CC(C)[C@@H](C[NH+](C)C)NCCC[NH+]1CCCC1 ZINC000049332732 167395937 /nfs/dbraw/zinc/39/59/37/167395937.db2.gz HSNYBXLWVOWOEV-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CCN1CC[NH+](CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764292 169990016 /nfs/dbraw/zinc/99/00/16/169990016.db2.gz OARFGPLQPLKPTN-CYBMUJFWSA-N 2 0 225.380 1.156 10 0 BDAERP CC[NH2+]C1CC[NH+](CCCn2ccnc2)CC1 ZINC000049326908 170108280 /nfs/dbraw/zinc/10/82/80/170108280.db2.gz ZAJQZNGUSGXLTN-UHFFFAOYSA-N 2 0 236.363 1.347 10 0 BDAERP CC[NH2+]CC[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972175 170116160 /nfs/dbraw/zinc/11/61/60/170116160.db2.gz VXAOEFBWDOCLFC-KGLIPLIRSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598711 170119146 /nfs/dbraw/zinc/11/91/46/170119146.db2.gz SQUDYMVLLXOWPL-LSDHHAIUSA-N 2 0 248.370 1.446 10 0 BDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)CCOC)O1 ZINC000052542780 170123855 /nfs/dbraw/zinc/12/38/55/170123855.db2.gz RVTOYABDGNKDME-OLZOCXBDSA-N 2 0 244.379 1.112 10 0 BDAERP CC[NH2+]Cc1ccccc1CN1CC[NH+](C)CC1 ZINC000052379579 170128234 /nfs/dbraw/zinc/12/82/34/170128234.db2.gz UAEAQHUWDPPWCD-UHFFFAOYSA-N 2 0 247.386 1.544 10 0 BDAERP CC[NH2+]Cc1sc(CC[NH+](C)C)nc1CC ZINC000082425745 170132417 /nfs/dbraw/zinc/13/24/17/170132417.db2.gz MMNNRCLRJJDRNP-UHFFFAOYSA-N 2 0 241.404 1.919 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@H]1CN1CC[NH+](C)CC1 ZINC000053861534 170151586 /nfs/dbraw/zinc/15/15/86/170151586.db2.gz GFDHAQFTSVIIHI-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+][C@H](C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065618 170156995 /nfs/dbraw/zinc/15/69/95/170156995.db2.gz NOGSRFOEFYNALR-OLZOCXBDSA-N 2 0 227.396 1.401 10 0 BDAERP CCOC(CN1CCC[C@@H](C[NH2+]C)C1)OCC ZINC000104353218 170314467 /nfs/dbraw/zinc/31/44/67/170314467.db2.gz YYJZPHVIYISJRR-LBPRGKRZSA-N 2 0 244.379 1.317 10 0 BDAERP CCOc1cccc([C@@H](C[NH3+])CC[NH3+])c1 ZINC000041217915 170584995 /nfs/dbraw/zinc/58/49/95/170584995.db2.gz AKJNUUJJXFLRMY-LLVKDONJSA-N 2 0 208.305 1.476 10 0 BDAERP CC[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)OC ZINC000308492671 170830974 /nfs/dbraw/zinc/83/09/74/170830974.db2.gz AKGOWLSFBBVFMC-QWRGUYRKSA-N 2 0 200.326 1.143 10 0 BDAERP CC[C@@H]1CCN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000049661419 171013644 /nfs/dbraw/zinc/01/36/44/171013644.db2.gz BBWHMXNULFWDMO-ZIAGYGMSSA-N 2 0 237.391 1.155 10 0 BDAERP CC[C@@H]1CO[C@H](C)CN1CC1([NH3+])CCCC1 ZINC000042452149 171111482 /nfs/dbraw/zinc/11/14/82/171111482.db2.gz BINITDQJDBRBDD-VXGBXAGGSA-N 2 0 226.364 1.757 10 0 BDAERP CC[C@@H]1CSC(N[C@@H]2CCC[N@H+](CC)C2)=[NH+]1 ZINC000049221507 171114451 /nfs/dbraw/zinc/11/44/51/171114451.db2.gz BUGAKAOSEVKFBN-GHMZBOCLSA-N 2 0 241.404 1.942 10 0 BDAERP CC[C@@]1(C[NH2+]C[C@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862860 171211217 /nfs/dbraw/zinc/21/12/17/171211217.db2.gz ZVKYJBKXUHPWJS-ZIAGYGMSSA-N 2 0 240.391 1.925 10 0 BDAERP CC[C@H](C)CN(C)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000037172713 171272870 /nfs/dbraw/zinc/27/28/70/171272870.db2.gz AOXMYYUMIGEVPJ-ZDUSSCGKSA-N 2 0 241.423 1.778 10 0 BDAERP CC[C@H](C)[N@H+](CCOC)C1(C[NH3+])CCOCC1 ZINC000042578058 171315497 /nfs/dbraw/zinc/31/54/97/171315497.db2.gz QVXYFAOECIXCOK-LBPRGKRZSA-N 2 0 244.379 1.241 10 0 BDAERP CC[C@H](C)[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055077888 171392196 /nfs/dbraw/zinc/39/21/96/171392196.db2.gz CUNLQWHDYCYHNY-KBPBESRZSA-N 2 0 241.423 1.633 10 0 BDAERP CC[C@H](C)[C@H]([NH3+])CN1CCC(C[NH+](C)C)CC1 ZINC000042388626 171396841 /nfs/dbraw/zinc/39/68/41/171396841.db2.gz VRIIZXJZWXAYHU-GXTWGEPZSA-N 2 0 241.423 1.633 10 0 BDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000665236875 412177107 /nfs/dbraw/zinc/17/71/07/412177107.db2.gz VUKMHJYWXBWLFS-GFCCVEGCSA-N 2 0 225.380 1.201 10 0 BDAERP CCn1cc[nH+]c1N[C@H]1CCC[N@H+](C)C1 ZINC000050614148 172227197 /nfs/dbraw/zinc/22/71/97/172227197.db2.gz TUEMGDAWJMCTBN-JTQLQIEISA-N 2 0 208.309 1.409 10 0 BDAERP C[NH+](C)C1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000036192307 172407531 /nfs/dbraw/zinc/40/75/31/172407531.db2.gz PHMDQFCXZGWNKA-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH+](C)CCCOc1cccc(CC[NH3+])c1 ZINC000011886139 172445515 /nfs/dbraw/zinc/44/55/15/172445515.db2.gz GGPFDEXCAAWESQ-UHFFFAOYSA-N 2 0 222.332 1.518 10 0 BDAERP C[NH+]1CCC([C@H]([NH3+])c2ccccn2)CC1 ZINC000077299179 173000478 /nfs/dbraw/zinc/00/04/78/173000478.db2.gz AXBMKXMHLHZHPA-LBPRGKRZSA-N 2 0 205.305 1.423 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CCN1CCC[NH2+]CC1 ZINC000036964300 173007982 /nfs/dbraw/zinc/00/79/82/173007982.db2.gz XEINHGIYRGVBEV-ZDUSSCGKSA-N 2 0 225.380 1.156 10 0 BDAERP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000195523218 173030153 /nfs/dbraw/zinc/03/01/53/173030153.db2.gz FIDOQGPCDVNILQ-LLVKDONJSA-N 2 0 224.352 1.137 10 0 BDAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccncc1 ZINC000082382484 173042351 /nfs/dbraw/zinc/04/23/51/173042351.db2.gz VOHPKDFDHYLFHK-VXGBXAGGSA-N 2 0 205.305 1.423 10 0 BDAERP CN(c1cc(N)cc[nH+]1)[C@H]1CCC[N@H+](C)C1 ZINC000053205858 173043501 /nfs/dbraw/zinc/04/35/01/173043501.db2.gz WEXYOACMSDQHRB-NSHDSACASA-N 2 0 220.320 1.194 10 0 BDAERP CN1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000037157153 173092198 /nfs/dbraw/zinc/09/21/98/173092198.db2.gz STUWIXWQZVSGGK-CHWSQXEVSA-N 2 0 225.380 1.141 10 0 BDAERP C[NH+]1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000020270314 173093266 /nfs/dbraw/zinc/09/32/66/173093266.db2.gz SDPBUMYTWCTSLF-CQSZACIVSA-N 2 0 231.343 1.078 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037484576 173116295 /nfs/dbraw/zinc/11/62/95/173116295.db2.gz LWBFILVCHPBCRX-LBPRGKRZSA-N 2 0 222.307 1.867 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037484565 173147460 /nfs/dbraw/zinc/14/74/60/173147460.db2.gz WFTUPLAJVRRIOH-GFCCVEGCSA-N 2 0 220.316 1.434 10 0 BDAERP C[NH+](C)C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523979 173206973 /nfs/dbraw/zinc/20/69/73/173206973.db2.gz UAEZYXMLAMZZJK-YHWZYXNKSA-N 2 0 239.407 1.541 10 0 BDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOC ZINC000054601526 173324173 /nfs/dbraw/zinc/32/41/73/173324173.db2.gz KDGSHGJEKDZPKX-YOGCLGLASA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]CC1(CN2CC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000062969942 173337495 /nfs/dbraw/zinc/33/74/95/173337495.db2.gz HNTRALYQHBVXPZ-CYBMUJFWSA-N 2 0 239.407 1.402 10 0 BDAERP C[NH2+]CC1(C[N@H+](C)C[C@H]2C[C@H]2C)CCOCC1 ZINC000104426967 173338108 /nfs/dbraw/zinc/33/81/08/173338108.db2.gz VTQKSXHILCSAMH-CHWSQXEVSA-N 2 0 240.391 1.590 10 0 BDAERP C[NH2+]CC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000077306737 173359081 /nfs/dbraw/zinc/35/90/81/173359081.db2.gz LXXOVVLKHXHMBP-LBPRGKRZSA-N 2 0 214.353 1.221 10 0 BDAERP C[NH2+]C[C@@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC000019864110 173364544 /nfs/dbraw/zinc/36/45/44/173364544.db2.gz UVTBBGUQHKYGQN-CQSZACIVSA-N 2 0 236.359 1.477 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@H+](CCCCn2ccnc2)C1 ZINC000053034308 173369547 /nfs/dbraw/zinc/36/95/47/173369547.db2.gz ZSOAMYDYZXSHPN-ZDUSSCGKSA-N 2 0 236.363 1.205 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000011891988 173371137 /nfs/dbraw/zinc/37/11/37/173371137.db2.gz DKCWGWSEUSAELY-LBPRGKRZSA-N 2 0 236.334 1.910 10 0 BDAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000040591904 173378624 /nfs/dbraw/zinc/37/86/24/173378624.db2.gz GZRAJPODPKZBQG-GHMZBOCLSA-N 2 0 214.378 1.423 10 0 BDAERP C[NH2+]C[C@H]1CCN([C@H](C)C[NH+]2CCCCC2)C1 ZINC000053032007 173381357 /nfs/dbraw/zinc/38/13/57/173381357.db2.gz WGLXJORBDIDGAY-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371142 173382490 /nfs/dbraw/zinc/38/24/90/173382490.db2.gz CMNDKPCGKQOTPR-VXGBXAGGSA-N 2 0 244.404 1.192 10 0 BDAERP C[NH2+]C[C@]1(C[N@@H+]2CCCSCC2)CCOC1 ZINC000051284261 173384317 /nfs/dbraw/zinc/38/43/17/173384317.db2.gz CUQNGLUIZUOBNJ-LBPRGKRZSA-N 2 0 244.404 1.051 10 0 BDAERP C[NH2+]Cc1ccccc1OCC[NH+]1CCCC1 ZINC000019777139 173390804 /nfs/dbraw/zinc/39/08/04/173390804.db2.gz DDIBULVSMQEAPJ-UHFFFAOYSA-N 2 0 234.343 1.881 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@@H+]1CCCOCC1 ZINC000061935825 173391518 /nfs/dbraw/zinc/39/15/18/173391518.db2.gz WWCXSUMBNNSGPG-UHFFFAOYSA-N 2 0 224.304 1.221 10 0 BDAERP C[NH2+]Cc1ccoc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000062971578 173391723 /nfs/dbraw/zinc/39/17/23/173391723.db2.gz ZLVHTANHCSLTNV-GFCCVEGCSA-N 2 0 237.347 1.135 10 0 BDAERP C[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1C ZINC000042355893 173393173 /nfs/dbraw/zinc/39/31/73/173393173.db2.gz NKFIGTDXHVOFHN-UHFFFAOYSA-N 2 0 202.261 1.295 10 0 BDAERP C[NH2+]Cc1occc1CN1CC[C@H]([NH+](C)C)C1 ZINC000062971521 173399877 /nfs/dbraw/zinc/39/98/77/173399877.db2.gz ZIKNUPJPFDSKSU-LBPRGKRZSA-N 2 0 237.347 1.135 10 0 BDAERP C[NH2+][C@@H]1CCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897259 173434781 /nfs/dbraw/zinc/43/47/81/173434781.db2.gz XGOITGQWHLPRTM-CHWSQXEVSA-N 2 0 225.380 1.153 10 0 BDAERP COCCCN(CCOC)C[C@H]([NH3+])C(C)(C)C ZINC000042421789 174224150 /nfs/dbraw/zinc/22/41/50/174224150.db2.gz IUADEEJUZFLUQP-LBPRGKRZSA-N 2 0 246.395 1.345 10 0 BDAERP COCC[N@H+](CC(C)C)C1(C[NH3+])CCOCC1 ZINC000042368057 174287482 /nfs/dbraw/zinc/28/74/82/174287482.db2.gz OYRUASYNQRPCSF-UHFFFAOYSA-N 2 0 244.379 1.099 10 0 BDAERP C[C@@H]([NH2+]Cc1cn[nH]c1)C1CC[NH+](C)CC1 ZINC000038006134 175905411 /nfs/dbraw/zinc/90/54/11/175905411.db2.gz JJPWHUVIIJCSLG-SNVBAGLBSA-N 2 0 222.336 1.230 10 0 BDAERP C[C@@H](c1ccc(O)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245051 176017335 /nfs/dbraw/zinc/01/73/35/176017335.db2.gz ANCIEBNZRCQAFJ-WDEREUQCSA-N 2 0 220.316 1.734 10 0 BDAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C)CC2)C1 ZINC000019518268 176133801 /nfs/dbraw/zinc/13/38/01/176133801.db2.gz OSABSNZZYVIJDK-CHWSQXEVSA-N 2 0 225.380 1.141 10 0 BDAERP C[C@@H]1CC[C@@H](O)[C@H](C[N@H+](C)CCC[NH+](C)C)C1 ZINC000104189030 176215247 /nfs/dbraw/zinc/21/52/47/176215247.db2.gz NQYJPDJYSJUYGV-HZSPNIEDSA-N 2 0 242.407 1.667 10 0 BDAERP C[C@@H]1C[N@H+](CCC[C@@H]2CCC[NH2+]2)CCO1 ZINC000052764279 176289920 /nfs/dbraw/zinc/28/99/20/176289920.db2.gz QOWPMNWPSFMBBJ-NEPJUHHUSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000061934637 176292978 /nfs/dbraw/zinc/29/29/78/176292978.db2.gz JQBZDBYQVDDUSV-NEPJUHHUSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCc1ccncc1 ZINC000104213294 176330352 /nfs/dbraw/zinc/33/03/52/176330352.db2.gz CNVIXQOSBMARIA-OCCSQVGLSA-N 2 0 233.359 1.411 10 0 BDAERP C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)C[NH+](C)C ZINC000336690618 176339969 /nfs/dbraw/zinc/33/99/69/176339969.db2.gz MHEYRQIYIZATLX-UTUOFQBUSA-N 2 0 214.353 1.199 10 0 BDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)C[NH+](C)C ZINC000336690616 176344480 /nfs/dbraw/zinc/34/44/80/176344480.db2.gz MHEYRQIYIZATLX-IJLUTSLNSA-N 2 0 214.353 1.199 10 0 BDAERP C[C@H](c1ccc(O)cc1)[NH+]1CCC([NH3+])CC1 ZINC000020521523 177035472 /nfs/dbraw/zinc/03/54/72/177035472.db2.gz AAWIFNNKGUTYKD-SNVBAGLBSA-N 2 0 220.316 1.876 10 0 BDAERP C[C@@H]1CC[N@H+](C2CCOCC2)CC[C@H](C)[NH2+]1 ZINC000049666374 177157222 /nfs/dbraw/zinc/15/72/22/177157222.db2.gz GQHUQVKWVHBFQZ-TXEJJXNPSA-N 2 0 226.364 1.628 10 0 BDAERP C[C@@H](CC[NH+](C)C)N1CCC[NH2+][C@@H](C)CC1 ZINC000049667798 177170182 /nfs/dbraw/zinc/17/01/82/177170182.db2.gz NAXZZMAESJLKMY-STQMWFEESA-N 2 0 227.396 1.401 10 0 BDAERP C[C@H]1C[N@H+](CC2CCC([NH3+])CC2)CCCO1 ZINC000061934580 177245041 /nfs/dbraw/zinc/24/50/41/177245041.db2.gz ZBINNIGQRMWLTQ-HIFPTAJRSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000161644321 177254298 /nfs/dbraw/zinc/25/42/98/177254298.db2.gz FFAHLMFXPGDBOF-RYUDHWBXSA-N 2 0 228.405 1.908 10 0 BDAERP COCc1ccccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400327146 226340671 /nfs/dbraw/zinc/34/06/71/226340671.db2.gz CPCQSWYBBHNVIY-OLZOCXBDSA-N 2 0 248.370 1.921 10 0 BDAERP C[C@H]([NH2+][C@H]1CC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000400334378 226341017 /nfs/dbraw/zinc/34/10/17/226341017.db2.gz FQOAJWVWBPRZBP-TUAOUCFPSA-N 2 0 208.349 1.907 10 0 BDAERP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000400824185 226351913 /nfs/dbraw/zinc/35/19/13/226351913.db2.gz JEHVKAMCNWPDGK-DGCLKSJQSA-N 2 0 219.332 1.607 10 0 BDAERP C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CC[NH+](C)CC1 ZINC000226435546 487745212 /nfs/dbraw/zinc/74/52/12/487745212.db2.gz KAAWUMHFQVLDKA-NQBHXWOUSA-N 2 0 226.364 1.484 10 0 BDAERP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000400508150 533698314 /nfs/dbraw/zinc/69/83/14/533698314.db2.gz KQZOVANXOCEOPP-PWSUYJOCSA-N 2 0 235.331 1.178 10 0 BDAERP CC[C@H]1CN(c2cc[nH+]c(C)c2)CC[C@@H]1[NH3+] ZINC000229576784 487926245 /nfs/dbraw/zinc/92/62/45/487926245.db2.gz DKEKWDAYRNWVIK-AAEUAGOBSA-N 2 0 219.332 1.954 10 0 BDAERP Cc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])cc[nH+]1 ZINC000229575539 487926415 /nfs/dbraw/zinc/92/64/15/487926415.db2.gz GQFGHJZWGCJINK-ZWNOBZJWSA-N 2 0 219.332 1.954 10 0 BDAERP C[C@H](C[NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000398338603 323006766 /nfs/dbraw/zinc/00/67/66/323006766.db2.gz FHGMPCODHFJEMK-CHWSQXEVSA-N 2 0 218.344 1.989 10 0 BDAERP COCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562957099 323035102 /nfs/dbraw/zinc/03/51/02/323035102.db2.gz WEEHMXYAHDKGSJ-NWDGAFQWSA-N 2 0 228.380 1.637 10 0 BDAERP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000570035747 323047699 /nfs/dbraw/zinc/04/76/99/323047699.db2.gz PNXSTLQQCNVTLA-ZIAGYGMSSA-N 2 0 247.386 1.910 10 0 BDAERP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000570035745 323047795 /nfs/dbraw/zinc/04/77/95/323047795.db2.gz PNXSTLQQCNVTLA-KGLIPLIRSA-N 2 0 247.386 1.910 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000570832423 323072252 /nfs/dbraw/zinc/07/22/52/323072252.db2.gz WCNDTPWLQGLLQD-QJPTWQEYSA-N 2 0 212.337 1.143 10 0 BDAERP CSCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572510444 324136719 /nfs/dbraw/zinc/13/67/19/324136719.db2.gz JGRMGCGWTGQYJO-WDEREUQCSA-N 2 0 216.394 1.717 10 0 BDAERP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400415960 324166719 /nfs/dbraw/zinc/16/67/19/324166719.db2.gz VGEKJLCALVIKNQ-SRVKXCTJSA-N 2 0 214.353 1.245 10 0 BDAERP COc1ccncc1CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566732300 326077318 /nfs/dbraw/zinc/07/73/18/326077318.db2.gz WWOPZIQZEOKJRI-RYUDHWBXSA-N 2 0 249.358 1.568 10 0 BDAERP C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CCC[NH2+]C1 ZINC000567647036 326238195 /nfs/dbraw/zinc/23/81/95/326238195.db2.gz NCTRAJOBPGBROM-MNOVXSKESA-N 2 0 214.353 1.125 10 0 BDAERP OCC[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000220371278 487979959 /nfs/dbraw/zinc/97/99/59/487979959.db2.gz VYXXIGQJYFKZDW-QWHCGFSZSA-N 2 0 226.364 1.080 10 0 BDAERP CCC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000389517734 488099214 /nfs/dbraw/zinc/09/92/14/488099214.db2.gz GICPTFAOQLQQNW-OLZOCXBDSA-N 2 0 225.380 1.202 10 0 BDAERP CC(C)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389902641 488124101 /nfs/dbraw/zinc/12/41/01/488124101.db2.gz FBEPBYRKSBOKBF-UPJWGTAASA-N 2 0 210.365 1.962 10 0 BDAERP C[NH2+][C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000054076158 488206076 /nfs/dbraw/zinc/20/60/76/488206076.db2.gz HBYDNOYEHUIGGT-DGCLKSJQSA-N 2 0 249.358 1.013 10 0 BDAERP c1ccc2c(c1)C[C@@H]2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090978322 491130334 /nfs/dbraw/zinc/13/03/34/491130334.db2.gz GUXLWIUWISZRMI-MCIONIFRSA-N 2 0 228.339 1.478 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757139818 582520071 /nfs/dbraw/zinc/52/00/71/582520071.db2.gz IAUWTMNTSVWTJA-GFCCVEGCSA-N 2 0 224.348 1.587 10 0 BDAERP C[C@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757146340 582529543 /nfs/dbraw/zinc/52/95/43/582529543.db2.gz KFZVTQFZWKUSSM-SMDDNHRTSA-N 2 0 238.375 1.881 10 0 BDAERP C[C@H]([NH2+]Cc1ccsc1)[C@H]1CC[NH2+]C1 ZINC000400582279 533937105 /nfs/dbraw/zinc/93/71/05/533937105.db2.gz RDQVFIFCASXYHK-ONGXEEELSA-N 2 0 210.346 1.836 10 0 BDAERP CC(C)OCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400360023 527949326 /nfs/dbraw/zinc/94/93/26/527949326.db2.gz NJDLSCKXHRWOPG-VXGBXAGGSA-N 2 0 214.353 1.389 10 0 BDAERP CC(C)SCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400586208 528320246 /nfs/dbraw/zinc/32/02/46/528320246.db2.gz SASLDCHZOGCYTQ-GHMZBOCLSA-N 2 0 216.394 1.716 10 0 BDAERP CCC(CC)(CO)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400747435 528707889 /nfs/dbraw/zinc/70/78/89/528707889.db2.gz UTUGANCAHLESMO-NWDGAFQWSA-N 2 0 228.380 1.373 10 0 BDAERP CCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CCOCC1 ZINC000261544978 535296911 /nfs/dbraw/zinc/29/69/11/535296911.db2.gz FLLJQPJDYLIEQN-QWHCGFSZSA-N 2 0 240.391 1.781 10 0 BDAERP CCOC[C@@H]([NH2+]C1CCC([NH3+])CC1)C(C)C ZINC000233723785 535668609 /nfs/dbraw/zinc/66/86/09/535668609.db2.gz BHAHTDLRXRIRKJ-WXRRBKDZSA-N 2 0 228.380 1.907 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1N ZINC000702458514 582926378 /nfs/dbraw/zinc/92/63/78/582926378.db2.gz BLNWSIHZWNCONY-JTQLQIEISA-N 2 0 208.309 1.340 10 0 BDAERP C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757124154 582499186 /nfs/dbraw/zinc/49/91/86/582499186.db2.gz BYFROMSCBQYATD-RNJOBUHISA-N 2 0 208.349 1.859 10 0 BDAERP COC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757132885 582508147 /nfs/dbraw/zinc/50/81/47/582508147.db2.gz SAJSDWULDDOACN-YNEHKIRRSA-N 2 0 226.364 1.628 10 0 BDAERP COC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757132872 582508584 /nfs/dbraw/zinc/50/85/84/582508584.db2.gz SAJSDWULDDOACN-RWMBFGLXSA-N 2 0 226.364 1.628 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757138031 582516464 /nfs/dbraw/zinc/51/64/64/582516464.db2.gz AEQGYJRWDQSZQL-GFCCVEGCSA-N 2 0 210.321 1.198 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757141602 582522276 /nfs/dbraw/zinc/52/22/76/582522276.db2.gz AIAXAALBPWKCSU-ZDUSSCGKSA-N 2 0 224.348 1.731 10 0 BDAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CCCO2 ZINC000757143700 582523863 /nfs/dbraw/zinc/52/38/63/582523863.db2.gz XSPIIFWNKUVODS-UHFFFAOYSA-N 2 0 212.337 1.444 10 0 BDAERP c1cn2c([nH+]1)NCC[C@@H]2[C@H]1CCC[NH2+]C1 ZINC000232455985 585030907 /nfs/dbraw/zinc/03/09/07/585030907.db2.gz LPVYEHSIEQZYHK-VHSXEESVSA-N 2 0 206.293 1.239 10 0 BDAERP [NH3+]C[C@@H]1CC[NH2+][C@@H](c2cccc(C=O)c2)C1 ZINC000757208743 586436825 /nfs/dbraw/zinc/43/68/25/586436825.db2.gz AUSVCPQLAGBAEN-ZWNOBZJWSA-N 2 0 218.300 1.499 10 0 BDAERP [NH3+]Cc1cccc([C@@H]2CC[C@H](C[NH3+])C[NH2+]2)c1 ZINC000757206530 586437216 /nfs/dbraw/zinc/43/72/16/586437216.db2.gz AFJZCGZKMUKAKQ-YPMHNXCESA-N 2 0 219.332 1.145 10 0 BDAERP CC(=O)c1ccc([C@@H]2CC[C@@H](C[NH3+])C[NH2+]2)cc1 ZINC000757213419 586439438 /nfs/dbraw/zinc/43/94/38/586439438.db2.gz KCANAPBLQMQROP-FZMZJTMJSA-N 2 0 232.327 1.889 10 0 BDAERP [NH3+]CC[C@H]1CC[C@@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757216520 586441345 /nfs/dbraw/zinc/44/13/45/586441345.db2.gz QCVLBPQFYZPISD-RISCZKNCSA-N 2 0 232.327 1.889 10 0 BDAERP CC(C)(C)n1cc([C@@H]2C[NH2+]C[C@@H](C[NH3+])C2)cn1 ZINC000757237949 586443940 /nfs/dbraw/zinc/44/39/40/586443940.db2.gz QXFNNWFWUKRONR-MNOVXSKESA-N 2 0 236.363 1.290 10 0 BDAERP COc1cccnc1N1CCC[C@@H](C[NH3+])C1 ZINC000127575998 590715142 /nfs/dbraw/zinc/71/51/42/590715142.db2.gz GKDXKEDGURAYSN-JTQLQIEISA-N 2 0 221.304 1.265 10 0 BDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCC[NH3+] ZINC000094462176 635352129 /nfs/dbraw/zinc/35/21/29/635352129.db2.gz HKRCMNHIVNFQBK-ZIAGYGMSSA-N 2 0 239.407 1.674 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000250869155 635701859 /nfs/dbraw/zinc/70/18/59/635701859.db2.gz XWURPFUTZWATFR-MDZLAQPJSA-N 2 0 232.327 1.980 10 0 BDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000094462287 635354642 /nfs/dbraw/zinc/35/46/42/635354642.db2.gz YBYDPZSACOMJPQ-RFQIPJPRSA-N 2 0 237.391 1.282 10 0 BDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000054242726 636241336 /nfs/dbraw/zinc/24/13/36/636241336.db2.gz AAVLVDQCFWNDDD-OLZOCXBDSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236131 642632193 /nfs/dbraw/zinc/63/21/93/642632193.db2.gz NJTQQHIHIUDOBZ-UTUOFQBUSA-N 2 0 212.337 1.082 10 0 BDAERP CC(C)[C@@H]1C[NH2+]C2(CC[NH+](C)CC2)OC1 ZINC000757141934 643304099 /nfs/dbraw/zinc/30/40/99/643304099.db2.gz CQZRCCJWWYBMQG-LLVKDONJSA-N 2 0 212.337 1.300 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233502313 643347763 /nfs/dbraw/zinc/34/77/63/643347763.db2.gz RQYWRGYHIDOGCV-HZSPNIEDSA-N 2 0 239.407 1.258 10 0 BDAERP C[C@H]1C[C@@H](c2ccc(N)c3c2CC[NH2+]C3)CC[NH2+]1 ZINC000757236341 643372827 /nfs/dbraw/zinc/37/28/27/643372827.db2.gz OIZNFBIEDNQGJZ-QWRGUYRKSA-N 2 0 245.370 1.770 10 0 BDAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000251680012 644816924 /nfs/dbraw/zinc/81/69/24/644816924.db2.gz VRYJPWNQEQQBLN-SDDRHHMPSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]([NH2+]CCC1CC=CC1)[C@H]1CC[NH2+]C1 ZINC000724133506 711564629 /nfs/dbraw/zinc/56/46/29/711564629.db2.gz ZNVCUYULTQTMOF-YPMHNXCESA-N 2 0 208.349 1.930 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CCC[NH2+]C1 ZINC000711034871 712275588 /nfs/dbraw/zinc/27/55/88/712275588.db2.gz OARQDVPNIDNBNF-YNEHKIRRSA-N 2 0 224.348 1.657 10 0 BDAERP COC1CC(C[N@@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000713243852 712456076 /nfs/dbraw/zinc/45/60/76/712456076.db2.gz SVLICPJLQYHJGO-UHFFFAOYSA-N 2 0 238.375 1.629 10 0 BDAERP COCC1CC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000713982974 712475910 /nfs/dbraw/zinc/47/59/10/712475910.db2.gz MBGNFDJIXSARGE-GMKTYKIGSA-N 2 0 226.364 1.389 10 0 BDAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000723138007 710726835 /nfs/dbraw/zinc/72/68/35/710726835.db2.gz JEFOLBDHDYEKJH-MROQNXINSA-N 2 0 226.364 1.471 10 0 BDAERP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000724034381 710736587 /nfs/dbraw/zinc/73/65/87/710736587.db2.gz PCIHITCHMNOIKN-CHWSQXEVSA-N 2 0 233.359 1.915 10 0 BDAERP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000723633744 711527943 /nfs/dbraw/zinc/52/79/43/711527943.db2.gz LNVUHCZNLMXOJH-QJPTWQEYSA-N 2 0 235.331 1.461 10 0 BDAERP Cc1cc(C)nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000723877184 711541946 /nfs/dbraw/zinc/54/19/46/711541946.db2.gz RMDOICGWCPNBNO-AEGPPILISA-N 2 0 245.370 1.868 10 0 BDAERP COC1CC(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000723895719 711543970 /nfs/dbraw/zinc/54/39/70/711543970.db2.gz ZLRSAJYYRLNUDK-CQLXCSJHSA-N 2 0 226.364 1.328 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723894179 711544435 /nfs/dbraw/zinc/54/44/35/711544435.db2.gz IYAQIXJDPXTMIB-UTUOFQBUSA-N 2 0 212.337 1.082 10 0 BDAERP COC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000721921363 711937285 /nfs/dbraw/zinc/93/72/85/711937285.db2.gz RGOWCOIMAHQSJI-AGIUHOORSA-N 2 0 228.380 1.432 10 0 BDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000708341874 712189521 /nfs/dbraw/zinc/18/95/21/712189521.db2.gz WQFCQIBGJGPOQZ-RVMXOQNASA-N 2 0 238.375 1.471 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000711248901 712291334 /nfs/dbraw/zinc/29/13/34/712291334.db2.gz JNWSUMCVKZNQGJ-XQQFMLRXSA-N 2 0 240.391 1.779 10 0 BDAERP COCC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000713953798 712474696 /nfs/dbraw/zinc/47/46/96/712474696.db2.gz UEOMFPSNMQZPPT-ZRRUAHMRSA-N 2 0 238.375 1.626 10 0 BDAERP COCC1CC([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000713961178 712475067 /nfs/dbraw/zinc/47/50/67/712475067.db2.gz SNBNRSGYFPOWBM-LKSINWNRSA-N 2 0 240.391 1.731 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000715660458 712529732 /nfs/dbraw/zinc/52/97/32/712529732.db2.gz SOEAYLCXTXXGRI-SRVKXCTJSA-N 2 0 228.405 1.860 10 0 BDAERP CC1(C)CO[C@@H](CC[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000717284191 712644943 /nfs/dbraw/zinc/64/49/43/712644943.db2.gz LJTSSCIMSJWMIS-OLZOCXBDSA-N 2 0 240.391 1.923 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918029 712786847 /nfs/dbraw/zinc/78/68/47/712786847.db2.gz WKONPCWSXLHUSO-IHRRRGAJSA-N 2 0 238.375 1.629 10 0 BDAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)nn1 ZINC000720578100 712853891 /nfs/dbraw/zinc/85/38/91/712853891.db2.gz BBDBBEMROFIVSI-UBHSHLNASA-N 2 0 246.358 1.263 10 0 BDAERP CCc1nc(C)cc(N(CC[NH2+]C)C(C)C)n1 ZINC000720790362 712866032 /nfs/dbraw/zinc/86/60/32/712866032.db2.gz DYFJDQKMZMOUKB-UHFFFAOYSA-N 2 0 236.363 1.782 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H]1CCNc1ccnc(N(C)C)n1 ZINC000721032848 712887909 /nfs/dbraw/zinc/88/79/09/712887909.db2.gz YEHASQZIYWYMAL-GHMZBOCLSA-N 2 0 249.362 1.200 10 0 BDAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955130 538900367 /nfs/dbraw/zinc/90/03/67/538900367.db2.gz UFHMYLPCBFVKRD-RNJOBUHISA-N 2 0 226.364 1.754 10 0 BDAERP CCC(CC)(C[NH3+])CN1CC[NH+](C2CC2)CC1 ZINC000051285133 168323355 /nfs/dbraw/zinc/32/33/55/168323355.db2.gz MICKNTKLVLPKIA-UHFFFAOYSA-N 2 0 239.407 1.532 10 0 BDAERP CCC(CC)(C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078458 168323441 /nfs/dbraw/zinc/32/34/41/168323441.db2.gz DRIDPDXFWQXMHE-UHFFFAOYSA-N 2 0 241.423 1.778 10 0 BDAERP [NH3+]CC[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616588464 349493526 /nfs/dbraw/zinc/49/35/26/349493526.db2.gz AXNHARXSBKTCAP-NSHDSACASA-N 2 0 219.332 1.288 10 0 BDAERP CCc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000386661510 398214133 /nfs/dbraw/zinc/21/41/33/398214133.db2.gz VNJVALSIMWVNCQ-DRZSPHRISA-N 2 0 248.374 1.152 10 0 BDAERP CCC(CC)N(CCOC)C[C@@H](C)[NH2+]C ZINC000044472541 168374622 /nfs/dbraw/zinc/37/46/22/168374622.db2.gz KCIAYPBJIAUTRK-LLVKDONJSA-N 2 0 216.369 1.731 10 0 BDAERP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1CCCCC1(F)F ZINC000381724254 398270132 /nfs/dbraw/zinc/27/01/32/398270132.db2.gz RYIHNJBEZGSRDP-NXEZZACHSA-N 2 0 236.306 1.063 10 0 BDAERP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381724256 398270248 /nfs/dbraw/zinc/27/02/48/398270248.db2.gz RYIHNJBEZGSRDP-VHSXEESVSA-N 2 0 236.306 1.063 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000037163998 538961718 /nfs/dbraw/zinc/96/17/18/538961718.db2.gz UZXBQTUUOKYWPO-YUTCNCBUSA-N 2 0 240.391 1.610 10 0 BDAERP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335517332 398290387 /nfs/dbraw/zinc/29/03/87/398290387.db2.gz JOHSLXKOBZCJAC-PQAZSJQKSA-N 3 0 239.407 1.719 10 0 BDAERP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)c2)C1 ZINC000381318019 538998290 /nfs/dbraw/zinc/99/82/90/538998290.db2.gz NUAMATFJSQPEQE-MFKMUULPSA-N 2 0 219.332 1.564 10 0 BDAERP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000390511497 539022489 /nfs/dbraw/zinc/02/24/89/539022489.db2.gz ZRGZWEWTCXAPLN-IJLUTSLNSA-N 2 0 219.332 1.976 10 0 BDAERP C(C[N@@H+]1CCCSCC1)[C@H]1CCC[NH2+]1 ZINC000042444898 361999628 /nfs/dbraw/zinc/99/96/28/361999628.db2.gz OKXNHIXMGLUKDZ-LLVKDONJSA-N 2 0 214.378 1.567 10 0 BDAERP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000402698964 529496261 /nfs/dbraw/zinc/49/62/61/529496261.db2.gz RHRPICVSZIGAFQ-BDAKNGLRSA-N 2 0 224.270 1.917 10 0 BDAERP C[C@H]([NH3+])c1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000142068608 343104558 /nfs/dbraw/zinc/10/45/58/343104558.db2.gz YQOCTHNBMMCAGF-ZDUSSCGKSA-N 2 0 247.386 1.844 10 0 BDAERP CCc1nc(C)cc(NC[C@H](C)C[NH3+])n1 ZINC000308910617 346939836 /nfs/dbraw/zinc/93/98/36/346939836.db2.gz GHRLVAAFWVHOPV-MRVPVSSYSA-N 2 0 208.309 1.354 10 0 BDAERP C[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000052395782 343599875 /nfs/dbraw/zinc/59/98/75/343599875.db2.gz YGVVGRFXNKZDQM-YPMHNXCESA-N 2 0 249.358 1.013 10 0 BDAERP [NH3+]CCC[NH+]1CCC2(CCCCO2)CC1 ZINC000409426496 343798060 /nfs/dbraw/zinc/79/80/60/343798060.db2.gz IGWYRJBXHDBWHI-UHFFFAOYSA-N 2 0 212.337 1.370 10 0 BDAERP [NH3+]CCC[N@@H+]1CCOC[C@@H]2CCCC[C@@H]21 ZINC000409427743 343801446 /nfs/dbraw/zinc/80/14/46/343801446.db2.gz FHHZJQYYWHYNNN-RYUDHWBXSA-N 2 0 212.337 1.226 10 0 BDAERP CC(C)(C)C(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000409424875 343817733 /nfs/dbraw/zinc/81/77/33/343817733.db2.gz ZFOOXYIODGZOBT-SNVBAGLBSA-N 2 0 212.337 1.272 10 0 BDAERP CC1(CF)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000409429694 343806170 /nfs/dbraw/zinc/80/61/70/343806170.db2.gz HVUNDQHLGREMEH-UHFFFAOYSA-N 2 0 214.328 1.810 10 0 BDAERP CC(C)C[C@@H]1C[N@H+](CCC[NH3+])CC[C@@H]1O ZINC000409435539 343833900 /nfs/dbraw/zinc/83/39/00/343833900.db2.gz VIWHNHDQQDTRCI-NEPJUHHUSA-N 2 0 214.353 1.064 10 0 BDAERP OC[C@@]12C[N@@H+](C3CC[NH2+]CC3)C[C@@H]1CCCC2 ZINC000409435591 343834393 /nfs/dbraw/zinc/83/43/93/343834393.db2.gz VOUUQZXGPPCBRE-GXTWGEPZSA-N 2 0 238.375 1.223 10 0 BDAERP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CS1 ZINC000227512526 344473523 /nfs/dbraw/zinc/47/35/23/344473523.db2.gz ROHVGCQXGVDKDA-ZRUFSTJUSA-N 2 0 214.378 1.550 10 0 BDAERP C[C@H]1CC[NH2+][C@H](C2(F)CC[NH2+]CC2)C1 ZINC000158109371 344544070 /nfs/dbraw/zinc/54/40/70/344544070.db2.gz FXEXZCBRFSUENT-UWVGGRQHSA-N 2 0 200.301 1.466 10 0 BDAERP CS[C@H]1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC000235083347 344774907 /nfs/dbraw/zinc/77/49/07/344774907.db2.gz JJXOLPIIIFZVER-QWRGUYRKSA-N 2 0 214.378 1.694 10 0 BDAERP Cc1ccc([C@H](O)C[NH+]2CCC([NH3+])CC2)cc1C ZINC000011729516 344984163 /nfs/dbraw/zinc/98/41/63/344984163.db2.gz XMFGVJRNXZUURT-OAHLLOKOSA-N 2 0 248.370 1.760 10 0 BDAERP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000570953497 323082828 /nfs/dbraw/zinc/08/28/28/323082828.db2.gz GIUWDHJQPQNUQB-FRRDWIJNSA-N 2 0 228.380 1.635 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@@H]1CC[NH2+]C1 ZINC000634998695 345198247 /nfs/dbraw/zinc/19/82/47/345198247.db2.gz JKSPPFUNVHNUOV-QJPTWQEYSA-N 2 0 208.349 1.907 10 0 BDAERP C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1C[NH3+] ZINC000634998700 345198525 /nfs/dbraw/zinc/19/85/25/345198525.db2.gz JLRFVPFQGOQZHN-UWVGGRQHSA-N 2 0 210.346 1.775 10 0 BDAERP CCC[NH+](CCC)C[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378717 537970714 /nfs/dbraw/zinc/97/07/14/537970714.db2.gz JTJZMFOBHJIMGP-CHWSQXEVSA-N 2 0 227.396 1.293 10 0 BDAERP C[C@H]1CCCC[N@@H+]1Cc1cncc(C[NH3+])c1 ZINC000669378988 537973668 /nfs/dbraw/zinc/97/36/68/537973668.db2.gz RNLWHPKACLZYHY-NSHDSACASA-N 2 0 219.332 1.915 10 0 BDAERP C[C@H]1C[N@@H+](C2CCC([NH3+])CC2)CCS1 ZINC000164153749 346593237 /nfs/dbraw/zinc/59/32/37/346593237.db2.gz RBVXWWMPHNKAGK-WHXUTIOJSA-N 2 0 214.378 1.694 10 0 BDAERP C[C@H]1C[NH+](CC2C[NH2+]C2)C[C@H](C)S1 ZINC000165219406 346645608 /nfs/dbraw/zinc/64/56/08/346645608.db2.gz NYRLJPILCYCOFJ-IUCAKERBSA-N 2 0 200.351 1.032 10 0 BDAERP Nc1cnccc1[C@H]1CCC2(CC[NH2+]CC2)C[NH2+]1 ZINC000585681315 346653716 /nfs/dbraw/zinc/65/37/16/346653716.db2.gz AXCPOGHWWDCOJE-CYBMUJFWSA-N 2 0 246.358 1.458 10 0 BDAERP Cc1cccc(OC[C@H](CC[NH3+])[NH+](C)C)c1 ZINC000020401461 179170397 /nfs/dbraw/zinc/17/03/97/179170397.db2.gz QRTOMNFQMRGBKL-LBPRGKRZSA-N 2 0 222.332 1.653 10 0 BDAERP CN(C)[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000250346307 362799674 /nfs/dbraw/zinc/79/96/74/362799674.db2.gz GNTBONZGZOSQPQ-OLZOCXBDSA-N 2 0 225.380 1.012 10 0 BDAERP C[N@H+](C[C@@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000250428997 362803991 /nfs/dbraw/zinc/80/39/91/362803991.db2.gz QRZPYRYCLKTNFE-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP CN(CC(C)(C)C)[C@@H]1COCC[C@H]1[NH3+] ZINC000250696527 362816877 /nfs/dbraw/zinc/81/68/77/362816877.db2.gz MBDZARHMJLBJAS-NXEZZACHSA-N 2 0 200.326 1.081 10 0 BDAERP C[C@@H](CN[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000390644068 259396406 /nfs/dbraw/zinc/39/64/06/259396406.db2.gz LSBYSHRGHQETBZ-DZGCQCFKSA-N 2 0 247.386 1.458 10 0 BDAERP C[C@@H]([NH2+]CCc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000577267873 365908407 /nfs/dbraw/zinc/90/84/07/365908407.db2.gz PDKAGVVSBVSGFF-OLZOCXBDSA-N 2 0 233.359 1.602 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CCCC[NH3+] ZINC000070201724 349976246 /nfs/dbraw/zinc/97/62/46/349976246.db2.gz IJXAPDYYHXTYKA-GFCCVEGCSA-N 2 0 243.395 1.208 10 0 BDAERP Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000043033353 179347701 /nfs/dbraw/zinc/34/77/01/179347701.db2.gz TWHAYDSODRLVJD-HIFRSBDPSA-N 2 0 247.386 1.631 10 0 BDAERP Cc1ccccc1[C@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000111238971 179342282 /nfs/dbraw/zinc/34/22/82/179342282.db2.gz OJPXRUMLEFBNMK-HNNXBMFYSA-N 2 0 249.402 1.878 10 0 BDAERP C[C@H]1CC[N@@H+](C2CCSCC2)C[C@H]1[NH3+] ZINC000251768217 362909410 /nfs/dbraw/zinc/90/94/10/362909410.db2.gz UXDFSWBYLJGFOP-GXSJLCMTSA-N 2 0 214.378 1.551 10 0 BDAERP CC[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000133536271 191041822 /nfs/dbraw/zinc/04/18/22/191041822.db2.gz WFNIHBXUWMOHTK-OLZOCXBDSA-N 2 0 228.380 1.469 10 0 BDAERP Cc1cccc(C[C@@H]2C[N@H+](C)CC[C@@H]2[NH3+])c1 ZINC000036352046 350172486 /nfs/dbraw/zinc/17/24/86/350172486.db2.gz PJBGXUDMHIMCNH-KGLIPLIRSA-N 2 0 218.344 1.817 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncnc2[nH]ccc21 ZINC000420189333 192172613 /nfs/dbraw/zinc/17/26/13/192172613.db2.gz DLQSMVQLVNXJLJ-ONGXEEELSA-N 2 0 245.330 1.887 10 0 BDAERP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1C ZINC000252223111 538086494 /nfs/dbraw/zinc/08/64/94/538086494.db2.gz ZOMKCXCEZQCAII-XQHKEYJVSA-N 2 0 226.364 1.613 10 0 BDAERP [NH3+]CC1(N2CCCCCC2)CSC1 ZINC000306858968 351181948 /nfs/dbraw/zinc/18/19/48/351181948.db2.gz BJQIEZSVFVRBKU-UHFFFAOYSA-N 2 0 200.351 1.307 10 0 BDAERP [NH3+]CC[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616673390 351237328 /nfs/dbraw/zinc/23/73/28/351237328.db2.gz AXNHARXSBKTCAP-LLVKDONJSA-N 2 0 219.332 1.288 10 0 BDAERP C[C@@H]1C[C@H](C)N(C2(C[NH3+])CSC2)C1 ZINC000306979236 351397302 /nfs/dbraw/zinc/39/73/02/351397302.db2.gz FMADTRUWCGLECW-BDAKNGLRSA-N 2 0 200.351 1.161 10 0 BDAERP CS[C@@H]1CC[N@H+](C[C@H]2C=C[C@@H]([NH3+])C2)C1 ZINC000307254134 351789184 /nfs/dbraw/zinc/78/91/84/351789184.db2.gz WYTSJXAOXYVPJW-HBNTYKKESA-N 2 0 212.362 1.327 10 0 BDAERP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CSC1 ZINC000307296363 351905739 /nfs/dbraw/zinc/90/57/39/351905739.db2.gz QSAJMHOYONZMBX-PSASIEDQSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@@H](C[NH2+]CC(C)(C)[NH3+])NC(=O)OC(C)(C)C ZINC000307323058 352018544 /nfs/dbraw/zinc/01/85/44/352018544.db2.gz AJBXWJSASBSEMQ-VIFPVBQESA-N 2 0 245.367 1.227 10 0 BDAERP CC[C@H]([NH2+]C1CCC([NH3+])CC1)C(C)(C)O ZINC000394004912 259425580 /nfs/dbraw/zinc/42/55/80/259425580.db2.gz OIEKAJCHRLKVEO-ILDUYXDCSA-N 2 0 214.353 1.395 10 0 BDAERP C[C@H]1CC[N@@H+](C2CSC2)C[C@H]1C[NH3+] ZINC000307552755 352648058 /nfs/dbraw/zinc/64/80/58/352648058.db2.gz CVLRKPDVOFCODL-DTWKUNHWSA-N 2 0 200.351 1.019 10 0 BDAERP [NH3+]Cc1cn(C(F)F)c2c1CCC[C@@H]2[NH3+] ZINC000536954888 323964190 /nfs/dbraw/zinc/96/41/90/323964190.db2.gz QVJQBPNBNOXXKE-QMMMGPOBSA-N 2 0 215.247 1.678 10 0 BDAERP CC(C)C[C@H](CN(C)C)[NH2+]C1CCOCC1 ZINC000037166631 188255368 /nfs/dbraw/zinc/25/53/68/188255368.db2.gz DYRLRTNHZSRGHW-CYBMUJFWSA-N 2 0 228.380 1.731 10 0 BDAERP CC(C)[N@H+](CCCO)Cc1cccc(C[NH3+])c1 ZINC000042498806 188293696 /nfs/dbraw/zinc/29/36/96/188293696.db2.gz KUSOKLCWFRKLOQ-UHFFFAOYSA-N 2 0 236.359 1.738 10 0 BDAERP C(COCC[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000051918268 188299974 /nfs/dbraw/zinc/29/99/74/188299974.db2.gz VPGOWHMIPGYYGU-CQSZACIVSA-N 2 0 240.391 1.879 10 0 BDAERP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](C)C1 ZINC000053245400 188300853 /nfs/dbraw/zinc/30/08/53/188300853.db2.gz MAFZPBWXXHMEKU-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1CCC[NH+](C)C ZINC000062620549 188303314 /nfs/dbraw/zinc/30/33/14/188303314.db2.gz ROUJPGRJFKHMPY-ZDUSSCGKSA-N 2 0 241.423 1.647 10 0 BDAERP CC(C)N(C)C(=O)CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250476245 188259357 /nfs/dbraw/zinc/25/93/57/188259357.db2.gz ALGKZHWYOUEXIA-NWDGAFQWSA-N 2 0 241.379 1.055 10 0 BDAERP CC(C)=CCNC(=[NH2+])NCCCCCC[NH3+] ZINC000003961078 188336544 /nfs/dbraw/zinc/33/65/44/188336544.db2.gz MMAWEAPOXJEGLK-UHFFFAOYSA-N 2 0 226.368 1.586 10 0 BDAERP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)C(C)C ZINC000234033715 363413291 /nfs/dbraw/zinc/41/32/91/363413291.db2.gz BVVBFNGUWQXGQT-NEPJUHHUSA-N 2 0 216.369 1.765 10 0 BDAERP C[C@]1([NH3+])CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000405780173 355272706 /nfs/dbraw/zinc/27/27/06/355272706.db2.gz HBKXUUJANMCRAC-UWVGGRQHSA-N 2 0 200.351 1.163 10 0 BDAERP NC(=[NH2+])CCCC[N@H+](CCO)C1CCCCC1 ZINC000042508398 181186981 /nfs/dbraw/zinc/18/69/81/181186981.db2.gz RIGAAHMKRQFVEW-UHFFFAOYSA-N 2 0 241.379 1.720 10 0 BDAERP C[C@H](CCCO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000582175387 355577972 /nfs/dbraw/zinc/57/79/72/355577972.db2.gz CURQQHGGNRPGRM-FRRDWIJNSA-N 2 0 228.380 1.373 10 0 BDAERP COCC[NH2+]C[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000675051076 538473553 /nfs/dbraw/zinc/47/35/53/538473553.db2.gz KGACHSMWHHYVLL-KGLIPLIRSA-N 2 0 240.391 1.638 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2c(C[NH3+])cnn2C)[C@H]1C ZINC000675056006 538477240 /nfs/dbraw/zinc/47/72/40/538477240.db2.gz HTNHSNVMARDLHZ-MNOVXSKESA-N 2 0 236.363 1.499 10 0 BDAERP CC[NH+]1CCC2(CCC[C@@H](C[NH3+])O2)CC1 ZINC000675072525 538503518 /nfs/dbraw/zinc/50/35/18/538503518.db2.gz IOCXVJXEUHJFNO-NSHDSACASA-N 2 0 212.337 1.369 10 0 BDAERP Cc1cnccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000395370558 357434556 /nfs/dbraw/zinc/43/45/56/357434556.db2.gz NCWVXOFGCYPKQQ-AWEZNQCLSA-N 2 0 233.359 1.964 10 0 BDAERP C[C@]1(O)CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000230379320 357532312 /nfs/dbraw/zinc/53/23/12/357532312.db2.gz UFNIUXWFBLWGQR-AWEZNQCLSA-N 2 0 240.391 1.709 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCCSCC1 ZINC000685950547 538893780 /nfs/dbraw/zinc/89/37/80/538893780.db2.gz BARYPZGQTZXZRA-GDNZZTSVSA-N 2 0 228.405 1.669 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C1[NH+]1CCSCC1 ZINC000685950669 538893917 /nfs/dbraw/zinc/89/39/17/538893917.db2.gz DDSFDTDNQPYURX-UWVGGRQHSA-N 2 0 214.378 1.279 10 0 BDAERP C[C@@H]1CCC[N@@H+](C2[C@H](C)C[NH2+]C[C@H]2C)C1 ZINC000685950934 538894831 /nfs/dbraw/zinc/89/48/31/538894831.db2.gz IPOPEUXOCIBEIZ-IJLUTSLNSA-N 2 0 210.365 1.962 10 0 BDAERP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000584768890 358171402 /nfs/dbraw/zinc/17/14/02/358171402.db2.gz JQBZQGYSUPMWBA-LPWJVIDDSA-N 2 0 240.391 1.920 10 0 BDAERP [NH3+]CCc1ccc2ccc(CC[NH3+])cc2c1 ZINC000044373260 358407368 /nfs/dbraw/zinc/40/73/68/358407368.db2.gz HDCGWPWDPXVDTJ-UHFFFAOYSA-N 2 0 214.312 1.842 10 0 BDAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000247209001 359201808 /nfs/dbraw/zinc/20/18/08/359201808.db2.gz VPXIDSCNRCACQX-MQYQWHSLSA-N 2 0 240.391 1.730 10 0 BDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1 ZINC000040750510 259487217 /nfs/dbraw/zinc/48/72/17/259487217.db2.gz NIQFQBPVLAYLIK-CLYYMRHHSA-N 2 0 203.289 1.540 10 0 BDAERP C[NH2+][C@@H]1CCN([C@@H]2CSC[C@H]2C)C1 ZINC000306410285 359795825 /nfs/dbraw/zinc/79/58/25/359795825.db2.gz RAWFRSFTMPVAPY-OPRDCNLKSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(O)C1C[NH2+]C1 ZINC000306398795 359766038 /nfs/dbraw/zinc/76/60/38/359766038.db2.gz MOJSAPUHJFRHIC-IUODEOHRSA-N 2 0 246.354 1.231 10 0 BDAERP C[C@H]1CS[C@](C)(C2CC[NH2+]CC2)[NH2+]1 ZINC000306583972 360483674 /nfs/dbraw/zinc/48/36/74/360483674.db2.gz RKPDKGIEYJSUPA-WCBMZHEXSA-N 2 0 200.351 1.427 10 0 BDAERP CCC[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)OCC ZINC000629515053 361113155 /nfs/dbraw/zinc/11/31/55/361113155.db2.gz PZZBKGYBMCVHCU-FRRDWIJNSA-N 2 0 228.380 1.779 10 0 BDAERP C[C@@H](C(N)=[NH2+])N1CCSCC[C@H]1C ZINC000306626346 361292643 /nfs/dbraw/zinc/29/26/43/361292643.db2.gz HPWFSEJBHNMVFZ-SFYZADRCSA-N 2 0 201.339 1.138 10 0 BDAERP C[C@H]([NH2+]Cc1ccc[nH]c1=O)[C@H]1CCC[NH2+]C1 ZINC000629544574 361423048 /nfs/dbraw/zinc/42/30/48/361423048.db2.gz JKKCUELZCYANEG-QWRGUYRKSA-N 2 0 235.331 1.265 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000629545223 361425688 /nfs/dbraw/zinc/42/56/88/361425688.db2.gz COBQPDKEVLJWNU-AHLTXXRQSA-N 2 0 238.375 1.532 10 0 BDAERP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000629554496 361443082 /nfs/dbraw/zinc/44/30/82/361443082.db2.gz JXSCNSVDUKJACO-LPWJVIDDSA-N 2 0 226.364 1.389 10 0 BDAERP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000629554497 361443215 /nfs/dbraw/zinc/44/32/15/361443215.db2.gz JXSCNSVDUKJACO-NDBYEHHHSA-N 2 0 226.364 1.389 10 0 BDAERP [NH3+]C1CC[NH+](CCc2ccccn2)CC1 ZINC000037483496 181344088 /nfs/dbraw/zinc/34/40/88/181344088.db2.gz HVEYIUYBHXROSM-UHFFFAOYSA-N 2 0 205.305 1.047 10 0 BDAERP CCCCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630355354 364077430 /nfs/dbraw/zinc/07/74/30/364077430.db2.gz GWZTWIUZAFNFIZ-RYUDHWBXSA-N 2 0 214.353 1.615 10 0 BDAERP CO[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)[C@](C)(C[NH3+])C1 ZINC000630370337 364087301 /nfs/dbraw/zinc/08/73/01/364087301.db2.gz ZGPPRPCOVIKDLK-RHYQMDGZSA-N 2 0 212.337 1.081 10 0 BDAERP CC[NH2+]CC[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000725269877 541339050 /nfs/dbraw/zinc/33/90/50/541339050.db2.gz ABIDBBFMEYKHCB-VIFPVBQESA-N 2 0 246.276 1.973 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000051254851 181358955 /nfs/dbraw/zinc/35/89/55/181358955.db2.gz URVZWCHTNOMSML-LBPRGKRZSA-N 2 0 226.364 1.352 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCCOCC2)CCCCC1 ZINC000061934570 181358870 /nfs/dbraw/zinc/35/88/70/181358870.db2.gz AGBNULPAFFNDCZ-UHFFFAOYSA-N 2 0 226.364 1.618 10 0 BDAERP [NH3+]CCCC[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000104345765 181377960 /nfs/dbraw/zinc/37/79/60/181377960.db2.gz PIRSBXQMAFVETA-UHFFFAOYSA-N 2 0 245.330 1.300 10 0 BDAERP [NH3+]CCCC[NH2+]CCC[NH2+]Cc1ccccc1 ZINC000027189797 181377470 /nfs/dbraw/zinc/37/74/70/181377470.db2.gz NAPQCIUQGHGKEU-UHFFFAOYSA-N 3 0 235.375 1.495 10 0 BDAERP [NH3+]CCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008777756 181379627 /nfs/dbraw/zinc/37/96/27/181379627.db2.gz JNBFJFVKSAWOFC-CYBMUJFWSA-N 2 0 219.332 1.957 10 0 BDAERP [NH3+]CCC[NH2+][C@H]1CCOc2ccccc21 ZINC000037713414 181382963 /nfs/dbraw/zinc/38/29/63/181382963.db2.gz BWXWWBXACNUFFB-NSHDSACASA-N 2 0 206.289 1.449 10 0 BDAERP [NH3+]CCCNC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000022130264 181383556 /nfs/dbraw/zinc/38/35/56/181383556.db2.gz NQHIUYWZQHNXMV-CHWSQXEVSA-N 2 0 225.380 1.189 10 0 BDAERP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000581005731 367231353 /nfs/dbraw/zinc/23/13/53/367231353.db2.gz DWBFIUFFKWRDOI-RWMBFGLXSA-N 2 0 239.407 1.447 10 0 BDAERP OC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000385975956 367891279 /nfs/dbraw/zinc/89/12/79/367891279.db2.gz HKALCONKCSKFIY-STQMWFEESA-N 2 0 226.364 1.269 10 0 BDAERP [NH3+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425001 181435963 /nfs/dbraw/zinc/43/59/63/181435963.db2.gz GICXRICGDQZIQX-STQMWFEESA-N 2 0 226.364 1.759 10 0 BDAERP C[C@H](CN(C)Cc1noc(CN)n1)C(C)(C)C ZINC000399746464 368542306 /nfs/dbraw/zinc/54/23/06/368542306.db2.gz RVGPXXDBPPMUOX-SECBINFHSA-N 2 0 240.351 1.642 10 0 BDAERP CC(C)C1(N2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC000202392379 368946118 /nfs/dbraw/zinc/94/61/18/368946118.db2.gz VKEHAUFZBPQYGZ-UHFFFAOYSA-N 2 0 225.380 1.012 10 0 BDAERP Cc1ccncc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836834 369084246 /nfs/dbraw/zinc/08/42/46/369084246.db2.gz HQZXUEVWTXVJOM-NEPJUHHUSA-N 2 0 219.332 1.417 10 0 BDAERP Cc1ncccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836860 369084767 /nfs/dbraw/zinc/08/47/67/369084767.db2.gz IEIRHZDMSFJHSE-GWCFXTLKSA-N 2 0 219.332 1.417 10 0 BDAERP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838150 369118894 /nfs/dbraw/zinc/11/88/94/369118894.db2.gz JOGYLPHSCQKIFH-WOPDTQHZSA-N 2 0 219.332 1.669 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1C[NH3+] ZINC000631840464 369249681 /nfs/dbraw/zinc/24/96/81/369249681.db2.gz SPYQNDBJQUSXSG-QWRGUYRKSA-N 2 0 205.305 1.108 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000569228115 326396076 /nfs/dbraw/zinc/39/60/76/326396076.db2.gz DOPXBHVXYHATOM-REWJHTLYSA-N 2 0 240.391 1.515 10 0 BDAERP C[C@@H]1CSC(NC[C@H]2CCCN2C)=[NH+]1 ZINC000226117891 371610601 /nfs/dbraw/zinc/61/06/01/371610601.db2.gz VOFXVTQOBKFTKR-RKDXNWHRSA-N 2 0 213.350 1.162 10 0 BDAERP CSCC[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C ZINC000131553361 371623739 /nfs/dbraw/zinc/62/37/39/371623739.db2.gz VPTVSECZTVZNEK-VHSXEESVSA-N 2 0 202.367 1.422 10 0 BDAERP [NH3+]CC[C@@H]1CCC[N@@H+](C2CSC2)C1 ZINC000215779193 371629111 /nfs/dbraw/zinc/62/91/11/371629111.db2.gz IRGNDBSGHIZNKE-VIFPVBQESA-N 2 0 200.351 1.163 10 0 BDAERP CC[C@@H]1CS[C@@]2(C[NH2+]C[C@H](C)C2)N1 ZINC000401709550 371800334 /nfs/dbraw/zinc/80/03/34/371800334.db2.gz UUZPWTRIOYYPHQ-BBBLOLIVSA-N 2 0 200.351 1.427 10 0 BDAERP [NH3+]C[C@@H]1CC[C@H]1[N@@H+]1CCCSCC1 ZINC000217688073 371998206 /nfs/dbraw/zinc/99/82/06/371998206.db2.gz FRKXZCORHIIMNM-VHSXEESVSA-N 2 0 200.351 1.163 10 0 BDAERP CSC(C)(C)C[N@@H+]1CCC[NH2+]CC1 ZINC000229143468 372122439 /nfs/dbraw/zinc/12/24/39/372122439.db2.gz FLXVOFJNDAGATK-UHFFFAOYSA-N 2 0 202.367 1.423 10 0 BDAERP C[C@H]1C[N@H+](CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836887 372625573 /nfs/dbraw/zinc/62/55/73/372625573.db2.gz IPJVBNVXVQCSHA-JSGCOSHPSA-N 2 0 218.344 1.756 10 0 BDAERP CCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073654173 168833320 /nfs/dbraw/zinc/83/33/20/168833320.db2.gz GLCFWIMRYMAVHS-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP CC(C)[C@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151268395 206063220 /nfs/dbraw/zinc/06/32/20/206063220.db2.gz FJKHTWHJHKEPAO-STQMWFEESA-N 2 0 228.380 1.467 10 0 BDAERP OCC[NH2+]CCC[NH2+]C/C=C/c1ccccc1 ZINC000013732669 183078087 /nfs/dbraw/zinc/07/80/87/183078087.db2.gz WQBQTGBGNCDCER-XBXARRHUSA-N 2 0 234.343 1.261 10 0 BDAERP CCC[N@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000037097894 169078176 /nfs/dbraw/zinc/07/81/76/169078176.db2.gz AFTOQVGPYFNGCY-UHFFFAOYSA-N 2 0 236.359 1.908 10 0 BDAERP CCC[NH+](CCC)C[C@H]1CCCCN1CC[NH3+] ZINC000034543036 169149678 /nfs/dbraw/zinc/14/96/78/169149678.db2.gz DBMBSNBKOZMJLV-CQSZACIVSA-N 2 0 241.423 1.922 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000049714184 169186744 /nfs/dbraw/zinc/18/67/44/169186744.db2.gz PCCOZNZIRWIQDA-QWHCGFSZSA-N 2 0 239.407 1.672 10 0 BDAERP CCC[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000022177731 169203313 /nfs/dbraw/zinc/20/33/13/169203313.db2.gz KFOZTLKKKYJJPB-UHFFFAOYSA-N 2 0 247.386 1.673 10 0 BDAERP CCC[NH2+]CC1(C[N@H+](C)C[C@@H](C)O)CCCC1 ZINC000051840405 169257642 /nfs/dbraw/zinc/25/76/42/169257642.db2.gz YNHOCGUVPVTGCF-CYBMUJFWSA-N 2 0 242.407 1.859 10 0 BDAERP CCC[NH2+]C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972843 169261058 /nfs/dbraw/zinc/26/10/58/169261058.db2.gz MYWAQYQRMRZNMO-KGLIPLIRSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH2+]Cc1cccnc1OCC[NH+](C)C ZINC000051548711 169268429 /nfs/dbraw/zinc/26/84/29/169268429.db2.gz SJZMJFIDKFLURG-UHFFFAOYSA-N 2 0 237.347 1.522 10 0 BDAERP CCC[C@@H]([NH3+])[C@@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188691 169392685 /nfs/dbraw/zinc/39/26/85/169392685.db2.gz XWDGTZFHIIBRLF-MGPQQGTHSA-N 2 0 241.423 1.776 10 0 BDAERP CCC[C@](C)(C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000042392269 169543985 /nfs/dbraw/zinc/54/39/85/169543985.db2.gz ZXTQHJLRULVDBH-CQSZACIVSA-N 2 0 241.423 1.778 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400419764 384262207 /nfs/dbraw/zinc/26/22/07/384262207.db2.gz WOOKRZCMNBKLTJ-UBHSHLNASA-N 2 0 230.355 1.914 10 0 BDAERP Clc1ccc(C[NH2+]CC2CC[NH2+]CC2)nn1 ZINC000095069849 384335391 /nfs/dbraw/zinc/33/53/91/384335391.db2.gz DTDQPQQVMMBUNN-UHFFFAOYSA-N 2 0 240.738 1.219 10 0 BDAERP [NH3+]C[C@@H]1CCCN(Cc2ccnc(Cl)n2)C1 ZINC000095072562 384343134 /nfs/dbraw/zinc/34/31/34/384343134.db2.gz JLPVUXBVGNMCNG-VIFPVBQESA-N 2 0 240.738 1.301 10 0 BDAERP C[NH2+][C@H](CCO)C1CN(Cc2ccccc2)C1 ZINC000095075737 384349951 /nfs/dbraw/zinc/34/99/51/384349951.db2.gz PQVDJYURGZXFJL-CQSZACIVSA-N 2 0 234.343 1.089 10 0 BDAERP CCC[C@@H]1C[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000300389959 384363122 /nfs/dbraw/zinc/36/31/22/384363122.db2.gz SPCMCDZZLVUHGU-IJLUTSLNSA-N 2 0 214.353 1.519 10 0 BDAERP c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000308829964 384328020 /nfs/dbraw/zinc/32/80/20/384328020.db2.gz ADJQVXZANAYDDZ-DTWKUNHWSA-N 2 0 223.345 1.362 10 0 BDAERP Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)cc[nH+]1 ZINC000335655383 384449866 /nfs/dbraw/zinc/44/98/66/384449866.db2.gz BPOFJNYOEXTDMY-BXKDBHETSA-N 2 0 205.305 1.222 10 0 BDAERP CCSCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000300980293 384763135 /nfs/dbraw/zinc/76/31/35/384763135.db2.gz UDKMOGLCQVRIJL-NSHDSACASA-N 2 0 216.394 1.861 10 0 BDAERP Cc1ccsc1CCN[C@H]1CC[NH2+]C1 ZINC000259174216 384964433 /nfs/dbraw/zinc/96/44/33/384964433.db2.gz VWJSAUKQOMGESA-JTQLQIEISA-N 2 0 210.346 1.551 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000259491495 385487037 /nfs/dbraw/zinc/48/70/37/385487037.db2.gz SZXJJTQKQFOFMN-SECBINFHSA-N 2 0 229.121 1.798 10 0 BDAERP Cc1c[nH+]ccc1N1CCC(C)([NH3+])CC1 ZINC000643028200 385524361 /nfs/dbraw/zinc/52/43/61/385524361.db2.gz AZAJADUCPWUNTR-UHFFFAOYSA-N 2 0 205.305 1.708 10 0 BDAERP Cc1c[nH]nc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000335448779 386517830 /nfs/dbraw/zinc/51/78/30/386517830.db2.gz SFCYMYPXCKFZJT-NSHDSACASA-N 2 0 222.336 1.292 10 0 BDAERP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000647971015 386454350 /nfs/dbraw/zinc/45/43/50/386454350.db2.gz PFTSYZZABDSULZ-CYBMUJFWSA-N 2 0 233.359 1.652 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000415103603 386623943 /nfs/dbraw/zinc/62/39/43/386623943.db2.gz CNWHMXWFTMHVRV-FPYNETTCSA-N 2 0 208.349 1.763 10 0 BDAERP C([NH2+][C@H]1CCC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000335497782 386624138 /nfs/dbraw/zinc/62/41/38/386624138.db2.gz ZDLHTBXYWYHHDF-RYUDHWBXSA-N 2 0 208.349 1.908 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@H]1CC[C@H]([NH3+])C1 ZINC000307587565 386741305 /nfs/dbraw/zinc/74/13/05/386741305.db2.gz UNPIRRPEEONHLY-CIUDSAMLSA-N 2 0 200.351 1.350 10 0 BDAERP COc1cccc(F)c1[C@@H]([NH3+])CCCC[NH3+] ZINC000575438158 387105300 /nfs/dbraw/zinc/10/53/00/387105300.db2.gz DJMZHLVOBGAEFP-JTQLQIEISA-N 2 0 226.295 1.963 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1c(F)c(F)cc(F)c1F ZINC000575438064 387113067 /nfs/dbraw/zinc/11/30/67/387113067.db2.gz CNFRUTLSILBXPH-ZETCQYMHSA-N 2 0 236.212 1.982 10 0 BDAERP COc1cccc(OC)c1[C@H]([NH3+])CCC[NH3+] ZINC000575439383 387123086 /nfs/dbraw/zinc/12/30/86/387123086.db2.gz HWZFEXOTVXORLW-SECBINFHSA-N 2 0 224.304 1.443 10 0 BDAERP COc1ccc(F)c([C@H]([NH3+])CCC[NH3+])c1 ZINC000575439303 387123504 /nfs/dbraw/zinc/12/35/04/387123504.db2.gz RYFKINQMVOJUPZ-LLVKDONJSA-N 2 0 212.268 1.573 10 0 BDAERP CC(=O)Oc1ccc([C@H]([NH3+])CCC[NH3+])cc1 ZINC000575438448 387128591 /nfs/dbraw/zinc/12/85/91/387128591.db2.gz JBCVLFOQHDFJNA-GFCCVEGCSA-N 2 0 222.288 1.351 10 0 BDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12C[C@H]([NH3+])CO2 ZINC000575508449 387370600 /nfs/dbraw/zinc/37/06/00/387370600.db2.gz LXOGYKJKBIUWKC-QEJZJMRPSA-N 2 0 246.354 1.767 10 0 BDAERP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCC[C@@H]1O ZINC000352668005 387428883 /nfs/dbraw/zinc/42/88/83/387428883.db2.gz OVTQRPRNFKMBHH-STQMWFEESA-N 2 0 226.364 1.318 10 0 BDAERP O[C@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786760 387687577 /nfs/dbraw/zinc/68/75/77/387687577.db2.gz QQZJEJWYXIJEDV-MWWBDVBNSA-N 2 0 238.375 1.410 10 0 BDAERP C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)C1C[NH2+]C1 ZINC000422795537 387696728 /nfs/dbraw/zinc/69/67/28/387696728.db2.gz VWZYBBOFKNPUQY-QWHCGFSZSA-N 2 0 248.370 1.789 10 0 BDAERP C[C@@]12C[NH2+]C[C@@H]1CN(C/C=C/Cl)C2 ZINC000575559716 387700748 /nfs/dbraw/zinc/70/07/48/387700748.db2.gz WZYHCOVTIWEQTB-NBYFHADBSA-N 2 0 200.713 1.280 10 0 BDAERP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000422830297 387723689 /nfs/dbraw/zinc/72/36/89/387723689.db2.gz CKPPNIUNXSKTIJ-IGQOVBAYSA-N 2 0 239.407 1.447 10 0 BDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2CC2)CC1 ZINC000156185236 387935704 /nfs/dbraw/zinc/93/57/04/387935704.db2.gz LLFCURKEIMRNKS-GFCCVEGCSA-N 2 0 240.391 1.421 10 0 BDAERP Cc1cccnc1CCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423158962 387939484 /nfs/dbraw/zinc/93/94/84/387939484.db2.gz XOMZWGYBFOPDQX-UONOGXRCSA-N 2 0 247.386 1.910 10 0 BDAERP CCSCC[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527748 135152441 /nfs/dbraw/zinc/15/24/41/135152441.db2.gz GRYRXQDLPHDYPW-SNVBAGLBSA-N 2 0 216.394 1.799 10 0 BDAERP C[C@H](CN[C@@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000086728971 388108362 /nfs/dbraw/zinc/10/83/62/388108362.db2.gz CUGJKNXGGIBUIO-CHWSQXEVSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000307513248 388424636 /nfs/dbraw/zinc/42/46/36/388424636.db2.gz YSOWIHGUSLBKBL-MXWKQRLJSA-N 2 0 214.378 1.470 10 0 BDAERP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400415963 388425928 /nfs/dbraw/zinc/42/59/28/388425928.db2.gz VGEKJLCALVIKNQ-TUAOUCFPSA-N 2 0 214.353 1.245 10 0 BDAERP CC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248373902 388676706 /nfs/dbraw/zinc/67/67/06/388676706.db2.gz MIWZJQIGWQFDEC-OLZOCXBDSA-N 2 0 242.407 1.810 10 0 BDAERP C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000530224847 388634127 /nfs/dbraw/zinc/63/41/27/388634127.db2.gz MQHYSVZIJPECBY-QPHKQPEJSA-N 2 0 226.364 1.386 10 0 BDAERP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000335583087 177709623 /nfs/dbraw/zinc/70/96/23/177709623.db2.gz URPQCUDZRXVWIF-MNOVXSKESA-N 2 0 205.305 1.494 10 0 BDAERP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000400513964 533445315 /nfs/dbraw/zinc/44/53/15/533445315.db2.gz MLVQHJISWBPQNB-PWSUYJOCSA-N 2 0 222.307 1.913 10 0 BDAERP C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CC[NH2+]C1 ZINC000400582277 533464772 /nfs/dbraw/zinc/46/47/72/533464772.db2.gz RDQVFIFCASXYHK-MWLCHTKSSA-N 2 0 210.346 1.836 10 0 BDAERP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000306833289 533529978 /nfs/dbraw/zinc/52/99/78/533529978.db2.gz NQJCXKUWNUSONK-DBIOUOCHSA-N 2 0 214.378 1.468 10 0 BDAERP CSC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400345120 533510785 /nfs/dbraw/zinc/51/07/85/533510785.db2.gz IERKTNLRDVTPKM-QWRGUYRKSA-N 2 0 228.405 1.860 10 0 BDAERP CC[NH+]1CCN(c2ccccc2C[NH2+]C)CC1 ZINC000034824233 132337024 /nfs/dbraw/zinc/33/70/24/132337024.db2.gz QJFUIHUBGBFSQY-UHFFFAOYSA-N 2 0 233.359 1.548 10 0 BDAERP C[NH+](C)CC1CCN(c2ncccc2C[NH3+])CC1 ZINC000042390696 132351234 /nfs/dbraw/zinc/35/12/34/132351234.db2.gz JHJAFGDZCZQQOZ-UHFFFAOYSA-N 2 0 248.374 1.318 10 0 BDAERP C[NH+](C)CC1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000042390688 132351236 /nfs/dbraw/zinc/35/12/36/132351236.db2.gz LSMDCEXFZLIQPB-UHFFFAOYSA-N 2 0 248.374 1.318 10 0 BDAERP CC(C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174901667 134285372 /nfs/dbraw/zinc/28/53/72/134285372.db2.gz LUZHROZQPZRNBG-AWEZNQCLSA-N 2 0 239.407 1.497 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000261533891 135165922 /nfs/dbraw/zinc/16/59/22/135165922.db2.gz KXGUGNAMWNAZEA-CIUDSAMLSA-N 2 0 240.269 1.017 10 0 BDAERP Cc1cnn(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261586472 135227859 /nfs/dbraw/zinc/22/78/59/135227859.db2.gz UISRAJOCUTZBOD-UHFFFAOYSA-N 2 0 248.374 1.267 10 0 BDAERP COCC(C)(C)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261968488 135266768 /nfs/dbraw/zinc/26/67/68/135266768.db2.gz QCMSBHVYWQTVSQ-NSHDSACASA-N 2 0 228.380 1.718 10 0 BDAERP CC1(C)CCC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262181450 135284502 /nfs/dbraw/zinc/28/45/02/135284502.db2.gz WVHWGTSEEHEPBB-ZYHUDNBSSA-N 2 0 226.364 1.125 10 0 BDAERP CCC(CC)(CC)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263214477 135340393 /nfs/dbraw/zinc/34/03/93/135340393.db2.gz KSDZZAWZWFKCBD-NWDGAFQWSA-N 2 0 228.380 1.373 10 0 BDAERP C(C1CCOCC1)[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299892950 135381171 /nfs/dbraw/zinc/38/11/71/135381171.db2.gz FYQDJCQDTVUZDS-STQMWFEESA-N 2 0 224.348 1.097 10 0 BDAERP Cn1cncc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000179271532 397852592 /nfs/dbraw/zinc/85/25/92/397852592.db2.gz HTQWKNRDBUZMIG-LBPRGKRZSA-N 2 0 245.330 1.281 10 0 BDAERP [NH3+]C1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650762211 410412731 /nfs/dbraw/zinc/41/27/31/410412731.db2.gz WXFSFWHRFCWQGV-UHFFFAOYSA-N 3 0 225.380 1.236 10 0 BDAERP C[C@@H]1CCC[C@@H](C[NH2+]C2CCC([NH3+])CC2)O1 ZINC000665265092 410736391 /nfs/dbraw/zinc/73/63/91/410736391.db2.gz OZOCEWCOKFKSIL-XVSSEFHLSA-N 2 0 226.364 1.804 10 0 BDAERP CC(C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C[C@@H]1C ZINC000073656306 166976017 /nfs/dbraw/zinc/97/60/17/166976017.db2.gz OHJJWLBZMHDBHK-UONOGXRCSA-N 2 0 239.407 1.401 10 0 BDAERP CC(C)[NH2+]CC(C)(C)CN1CC[C@@H]([NH+](C)C)C1 ZINC000062969978 167097946 /nfs/dbraw/zinc/09/79/46/167097946.db2.gz CBBOBZIGGRIKRM-CYBMUJFWSA-N 2 0 241.423 1.647 10 0 BDAERP CC(C)[NH2+]CCCC(=O)NC1CCC([NH3+])CC1 ZINC000051694841 167099566 /nfs/dbraw/zinc/09/95/66/167099566.db2.gz PVZOTYODZKQYAO-UHFFFAOYSA-N 2 0 241.379 1.151 10 0 BDAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[N@H+](C)[C@H](C)C1 ZINC000104136160 167108234 /nfs/dbraw/zinc/10/82/34/167108234.db2.gz KMGSZQTVRSSHGM-KGLIPLIRSA-N 2 0 241.423 1.645 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400995942 411168608 /nfs/dbraw/zinc/16/86/08/411168608.db2.gz KMQOLZKZHIRIAO-YVECIDJPSA-N 2 0 240.391 1.371 10 0 BDAERP CO[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000310394395 411235368 /nfs/dbraw/zinc/23/53/68/411235368.db2.gz SEPYWOWWVFXMTB-XJFOESAGSA-N 2 0 240.391 1.861 10 0 BDAERP Cc1cc(NCC2([NH3+])CCCC2)cc[nH+]1 ZINC000656610471 411308784 /nfs/dbraw/zinc/30/87/84/411308784.db2.gz GZDLNEKEXWBEPZ-UHFFFAOYSA-N 2 0 205.305 1.495 10 0 BDAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000656782773 411360362 /nfs/dbraw/zinc/36/03/62/411360362.db2.gz JPNAMBMQTFXTGT-JHJVBQTASA-N 2 0 233.359 1.773 10 0 BDAERP CC1CC[NH+](Cc2cc(C[NH3+])no2)CC1 ZINC000052377053 168184945 /nfs/dbraw/zinc/18/49/45/168184945.db2.gz YXMORVPVIJPXFD-UHFFFAOYSA-N 2 0 209.293 1.365 10 0 BDAERP CC(C)[C@@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000657292125 411452839 /nfs/dbraw/zinc/45/28/39/411452839.db2.gz DMIZMNBPRJTTMW-SNVBAGLBSA-N 2 0 207.321 1.963 10 0 BDAERP CC[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666720 170005833 /nfs/dbraw/zinc/00/58/33/170005833.db2.gz CDJJEPLHDSCXJI-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000037894007 170016816 /nfs/dbraw/zinc/01/68/16/170016816.db2.gz MEAVUXUYKIPSPW-MCIONIFRSA-N 2 0 240.391 1.611 10 0 BDAERP CC[N@@H+]1CCc2nc(CCC[NH3+])sc2C1 ZINC000054139479 170025272 /nfs/dbraw/zinc/02/52/72/170025272.db2.gz VIBYGRAAHKSYRC-UHFFFAOYSA-N 2 0 225.361 1.412 10 0 BDAERP CC[N@@H+]1CCc2nc(CC[NH2+]C)sc2C1 ZINC000053296446 170025472 /nfs/dbraw/zinc/02/54/72/170025472.db2.gz KWBLQOLPKKNFGS-UHFFFAOYSA-N 2 0 225.361 1.283 10 0 BDAERP CC[NH2+]C(C)(C)C(=O)NCCC[NH+](CC)CC ZINC000061287575 170107573 /nfs/dbraw/zinc/10/75/73/170107573.db2.gz LMVHETHNZOFFMS-UHFFFAOYSA-N 2 0 243.395 1.223 10 0 BDAERP CC[NH2+]CC(C)(C)C[N@@H+]1CCCC[C@H]1CCO ZINC000051213537 170110792 /nfs/dbraw/zinc/11/07/92/170110792.db2.gz SHZIGSWMCGMBJL-ZDUSSCGKSA-N 2 0 242.407 1.859 10 0 BDAERP CC[NH2+]CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053249818 170112644 /nfs/dbraw/zinc/11/26/44/170112644.db2.gz AUYMNOBUPIRGCX-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@@](C)(CC)CN(C)CCC[NH+](C)C ZINC000104199584 170120817 /nfs/dbraw/zinc/12/08/17/170120817.db2.gz PSWYHPMZIWVGBH-CQSZACIVSA-N 2 0 243.439 1.896 10 0 BDAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)Cn2ccnc2)C1 ZINC000053031995 170122349 /nfs/dbraw/zinc/12/23/49/170122349.db2.gz NOMPMXMQCJAMGM-QWHCGFSZSA-N 2 0 236.363 1.203 10 0 BDAERP CC[NH2+]Cc1cc(C[NH+](C)C)ccc1OC ZINC000045206408 170125217 /nfs/dbraw/zinc/12/52/17/170125217.db2.gz IMHMNZDAJDKQJB-UHFFFAOYSA-N 2 0 222.332 1.866 10 0 BDAERP CC[NH2+]Cc1cnc(CC[NH+](C)C)s1 ZINC000062201734 170131095 /nfs/dbraw/zinc/13/10/95/170131095.db2.gz GNJGODSWOLYOAA-UHFFFAOYSA-N 2 0 213.350 1.357 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@H]1CN(C)CCC[NH+](C)C ZINC000104198341 170151913 /nfs/dbraw/zinc/15/19/13/170151913.db2.gz OJICJLZBSRJQSM-UONOGXRCSA-N 2 0 241.423 1.648 10 0 BDAERP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC000049712927 170152338 /nfs/dbraw/zinc/15/23/38/170152338.db2.gz WOTBLEWKKXFFTH-MGPQQGTHSA-N 2 0 239.407 1.401 10 0 BDAERP CC[NH2+][C@H](CC)[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643570 170160640 /nfs/dbraw/zinc/16/06/40/170160640.db2.gz HBYCKMVNIFEMRE-MGPQQGTHSA-N 2 0 241.423 1.789 10 0 BDAERP CC[NH2+][C@H]1CCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818333 170166945 /nfs/dbraw/zinc/16/69/45/170166945.db2.gz HLTLZXRCLWOTFQ-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP CCOCCC[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000076458263 170380252 /nfs/dbraw/zinc/38/02/52/170380252.db2.gz ZZDNHYOTGNMYNA-LBPRGKRZSA-N 2 0 214.353 1.344 10 0 BDAERP Nc1cc([C@@H]2CCC[N@H+](CCO)CC2)ccn1 ZINC000616627332 411946467 /nfs/dbraw/zinc/94/64/67/411946467.db2.gz IVNRKJNYEZPHLZ-LLVKDONJSA-N 2 0 235.331 1.226 10 0 BDAERP Cc1nocc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662266744 412057475 /nfs/dbraw/zinc/05/74/75/412057475.db2.gz OQLRDEZMGLONKK-WCQGTBRESA-N 2 0 221.304 1.152 10 0 BDAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCC(O)CC2)C1 ZINC000037157702 171041163 /nfs/dbraw/zinc/04/11/63/171041163.db2.gz GISKKBNYFPPSNG-MBNYWOFBSA-N 2 0 240.391 1.597 10 0 BDAERP CC[C@@H]1CN(Cc2ccc(C[NH3+])o2)CC[N@@H+]1C ZINC000104127439 171088244 /nfs/dbraw/zinc/08/82/44/171088244.db2.gz SOBMWDZNOSAHGQ-LLVKDONJSA-N 2 0 237.347 1.264 10 0 BDAERP CC[C@@H]1CO[C@H](C)CN1CC(C)(C)[NH2+]C ZINC000061319676 171112629 /nfs/dbraw/zinc/11/26/29/171112629.db2.gz ARFAGOPDVJHTNC-GHMZBOCLSA-N 2 0 214.353 1.484 10 0 BDAERP CC[C@@](C)(C[NH2+]C)CN1CC[NH+](C2CC2)CC1 ZINC000051285223 171167334 /nfs/dbraw/zinc/16/73/34/171167334.db2.gz LEXVLPNPAMSCBE-AWEZNQCLSA-N 2 0 239.407 1.402 10 0 BDAERP CC[C@H](C)[NH+]1CCN(CCCC[C@H](C)[NH3+])CC1 ZINC000055065167 171318762 /nfs/dbraw/zinc/31/87/62/171318762.db2.gz SCOHUFRNHAKTAM-KBPBESRZSA-N 2 0 241.423 1.920 10 0 BDAERP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OC ZINC000362975362 171369072 /nfs/dbraw/zinc/36/90/72/171369072.db2.gz FCYDMKDRLFAJPW-YNEHKIRRSA-N 2 0 228.380 1.779 10 0 BDAERP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OC ZINC000362975361 171393636 /nfs/dbraw/zinc/39/36/36/171393636.db2.gz FCYDMKDRLFAJPW-XQQFMLRXSA-N 2 0 228.380 1.779 10 0 BDAERP [NH3+]C1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000665244342 412189491 /nfs/dbraw/zinc/18/94/91/412189491.db2.gz LFKHUKFCULXACV-RTBKNWGFSA-N 2 0 234.290 1.270 10 0 BDAERP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)O1 ZINC000665264546 412207657 /nfs/dbraw/zinc/20/76/57/412207657.db2.gz BJYPFZMFWYWVCK-AGIUHOORSA-N 2 0 226.364 1.676 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CCC[NH2+]C1 ZINC000665265029 412209188 /nfs/dbraw/zinc/20/91/88/412209188.db2.gz OANJAPWRFZWQRV-XJFOESAGSA-N 2 0 240.391 1.922 10 0 BDAERP CCn1cccc1C[NH2+]CCCC[NH+](C)C ZINC000085609383 172207728 /nfs/dbraw/zinc/20/77/28/172207728.db2.gz BCVJDBUJGODIKH-UHFFFAOYSA-N 2 0 223.364 1.939 10 0 BDAERP CCn1cc[nH+]c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000050614274 172228619 /nfs/dbraw/zinc/22/86/19/172228619.db2.gz GBTFMYITLZKQPQ-NSHDSACASA-N 2 0 222.336 1.657 10 0 BDAERP C[NH+](C)C1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000036191493 172407147 /nfs/dbraw/zinc/40/71/47/172407147.db2.gz IPEZJSKAKSAAMD-CQSZACIVSA-N 2 0 248.374 1.107 10 0 BDAERP C[NH+](C)[C@H](CC[NH3+])COc1ccc(Cl)cc1 ZINC000020401491 172533125 /nfs/dbraw/zinc/53/31/25/172533125.db2.gz HZDAQWSBRSVIBN-LLVKDONJSA-N 2 0 242.750 1.998 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CN1CCC[NH2+]CCC1 ZINC000044564241 173004235 /nfs/dbraw/zinc/00/42/35/173004235.db2.gz LMYVQQRHCLJFGD-CYBMUJFWSA-N 2 0 225.380 1.156 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1CCOCC1 ZINC000052205565 173005516 /nfs/dbraw/zinc/00/55/16/173005516.db2.gz AEWLBGFKRWTFBH-CYBMUJFWSA-N 2 0 226.364 1.629 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1N ZINC000044563550 173006108 /nfs/dbraw/zinc/00/61/08/173006108.db2.gz CSQHWYGDTNEFGX-SNVBAGLBSA-N 2 0 220.320 1.560 10 0 BDAERP CN1CCC[N@H+](CC2CCC([NH3+])CC2)CC1 ZINC000037482413 173013565 /nfs/dbraw/zinc/01/35/65/173013565.db2.gz HXVRHCQHWUHMRE-UHFFFAOYSA-N 2 0 225.380 1.141 10 0 BDAERP CN(C[C@@H]1CCCC[NH2+]1)[C@H]1CCC[N@H+](C)C1 ZINC000053245395 173043729 /nfs/dbraw/zinc/04/37/29/173043729.db2.gz MNWWOGQJQFRRRW-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP C[NH+]1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020071642 173084885 /nfs/dbraw/zinc/08/48/85/173084885.db2.gz GUGFNCQPNWDBLN-MJBXVCDLSA-N 2 0 237.391 1.155 10 0 BDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1CCC([NH3+])CC1 ZINC000071190899 173112625 /nfs/dbraw/zinc/11/26/25/173112625.db2.gz BLNAXEWNOWMGQZ-ROKHWSDSSA-N 2 0 239.407 1.387 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000037484652 173146663 /nfs/dbraw/zinc/14/66/63/173146663.db2.gz ZTRKECGWLCFGGM-GFCCVEGCSA-N 2 0 205.305 1.123 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484644 173147108 /nfs/dbraw/zinc/14/71/08/173147108.db2.gz ANVSYDBDWAVSLZ-GFCCVEGCSA-N 2 0 205.305 1.123 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484742 173147506 /nfs/dbraw/zinc/14/75/06/173147506.db2.gz ZNNMCNXXAYLCIN-CYBMUJFWSA-N 2 0 204.317 1.728 10 0 BDAERP C[NH2+]C1CC[NH+]([C@@H](C)[C@H]2CCCO2)CC1 ZINC000035735973 173324247 /nfs/dbraw/zinc/32/42/47/173324247.db2.gz AIOKDRGIADLWMF-CMPLNLGQSA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]C1CC[NH+]([C@@H](C)[C@@H]2CCCO2)CC1 ZINC000035735971 173324302 /nfs/dbraw/zinc/32/43/02/173324302.db2.gz AIOKDRGIADLWMF-JQWIXIFHSA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]CC(C)(C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934217 173336995 /nfs/dbraw/zinc/33/69/95/173336995.db2.gz ZIVHIKJUPATNFF-LLVKDONJSA-N 2 0 214.353 1.343 10 0 BDAERP C[NH2+]CC1CC[NH+](CCc2ccncc2)CC1 ZINC000063166231 173338841 /nfs/dbraw/zinc/33/88/41/173338841.db2.gz PPMPFLACMGLMJY-UHFFFAOYSA-N 2 0 233.359 1.556 10 0 BDAERP C[NH2+]C[C@@H](O)C[NH+](CC(C)C)CC(C)C ZINC000042033827 173364823 /nfs/dbraw/zinc/36/48/23/173364823.db2.gz ONXDKCOKNLYFQJ-GFCCVEGCSA-N 2 0 216.369 1.181 10 0 BDAERP C[NH2+]C[C@@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000049333943 173367665 /nfs/dbraw/zinc/36/76/65/173367665.db2.gz ABDOFVIUJQWJHW-AWEZNQCLSA-N 3 0 239.407 1.404 10 0 BDAERP C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000164783948 173368407 /nfs/dbraw/zinc/36/84/07/173368407.db2.gz YOCQJDXLPANCBZ-JQWIXIFHSA-N 2 0 222.336 1.022 10 0 BDAERP C[NH2+]C[C@@]1(C[N@H+](C)CC2CCC2)CCCOC1 ZINC000104318769 173372940 /nfs/dbraw/zinc/37/29/40/173372940.db2.gz CQRPBVGKBURQCV-CQSZACIVSA-N 2 0 240.391 1.735 10 0 BDAERP C[NH2+]C[C@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000053034124 173381694 /nfs/dbraw/zinc/38/16/94/173381694.db2.gz ZKRUWTYUEBRCDU-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP C[NH2+]Cc1cc(C[NH+]2CCCC2)oc1C ZINC000052377374 173386733 /nfs/dbraw/zinc/38/67/33/173386733.db2.gz POZVIRNIRWRJON-UHFFFAOYSA-N 2 0 208.305 1.903 10 0 BDAERP C[NH2+]Cc1ccc(OC)c(OCC[NH+](C)C)c1 ZINC000019777056 173389019 /nfs/dbraw/zinc/38/90/19/173389019.db2.gz LMORXZDTIHPOFX-UHFFFAOYSA-N 2 0 238.331 1.355 10 0 BDAERP C[NH2+]Cc1ccccc1CN1CC[C@H]([NH+](C)C)C1 ZINC000062971663 173390688 /nfs/dbraw/zinc/39/06/88/173390688.db2.gz ZDOSSGGFDRRYIB-HNNXBMFYSA-N 2 0 247.386 1.542 10 0 BDAERP C[NH2+]Cc1ccoc1COCC[NH+](C)C ZINC000052669532 173391618 /nfs/dbraw/zinc/39/16/18/173391618.db2.gz WJWQBIUBWZPUTD-UHFFFAOYSA-N 2 0 212.293 1.077 10 0 BDAERP C[NH2+]Cc1occc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000052540919 173399384 /nfs/dbraw/zinc/39/93/84/173399384.db2.gz NQBQVUUWUUQHQA-LBPRGKRZSA-N 2 0 238.331 1.610 10 0 BDAERP COC1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC000037266412 174027550 /nfs/dbraw/zinc/02/75/50/174027550.db2.gz VZMOIKHGFHFKEK-GFCCVEGCSA-N 2 0 226.364 1.629 10 0 BDAERP COC1CC[NH+](C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000053858054 174028135 /nfs/dbraw/zinc/02/81/35/174028135.db2.gz VGTQVAWQOUOVBY-WCQYABFASA-N 2 0 226.364 1.615 10 0 BDAERP COC1CC[NH+](CC[C@H]2CCC[NH2+]2)CC1 ZINC000042172040 174028212 /nfs/dbraw/zinc/02/82/12/174028212.db2.gz HEMOSQZSUHPOTK-LLVKDONJSA-N 2 0 212.337 1.239 10 0 BDAERP COC1CC[NH+](C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070503123 174028409 /nfs/dbraw/zinc/02/84/09/174028409.db2.gz MSDVMEPNEVFEDR-RYUDHWBXSA-N 2 0 226.364 1.615 10 0 BDAERP COCCC[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049665817 174235377 /nfs/dbraw/zinc/23/53/77/174235377.db2.gz PZSVFGWNMVFQHL-VXGBXAGGSA-N 2 0 214.353 1.200 10 0 BDAERP COCC[N@H+](CC(C)C)C[C@@H](C)C[NH2+]C1CC1 ZINC000052508460 174287200 /nfs/dbraw/zinc/28/72/00/174287200.db2.gz LFZWXLLFDMHVLE-ZDUSSCGKSA-N 2 0 242.407 1.979 10 0 BDAERP COCC[NH+](CCOC)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000053859484 174295648 /nfs/dbraw/zinc/29/56/48/174295648.db2.gz XOFUFWCRUXMDSP-STQMWFEESA-N 2 0 244.379 1.099 10 0 BDAERP COCC[N@H+](Cc1cccc(C[NH3+])c1)C1CC1 ZINC000042517590 174298784 /nfs/dbraw/zinc/29/87/84/174298784.db2.gz SCOQJJPGWJUBGL-UHFFFAOYSA-N 2 0 234.343 1.756 10 0 BDAERP COc1ccc(OC)c([C@H](C[NH3+])CC[NH3+])c1 ZINC000041244619 175169104 /nfs/dbraw/zinc/16/91/04/175169104.db2.gz GGFCQSMAJNVPAF-VIFPVBQESA-N 2 0 224.304 1.095 10 0 BDAERP COc1ccc([C@@H](C[NH3+])CC[NH+](C)C)cc1F ZINC000041283764 175178420 /nfs/dbraw/zinc/17/84/20/175178420.db2.gz APMSBCIWZOFRJA-LLVKDONJSA-N 2 0 240.322 1.828 10 0 BDAERP COc1ccccc1C[N@H+](C)[C@@H](C)CC[NH3+] ZINC000042441516 175325986 /nfs/dbraw/zinc/32/59/86/175325986.db2.gz DSURYQQXCNWFBN-NSHDSACASA-N 2 0 222.332 1.864 10 0 BDAERP C[C@@H](c1ccccn1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095068234 176026659 /nfs/dbraw/zinc/02/66/59/176026659.db2.gz RQWNGGPHIKFGSX-NWDGAFQWSA-N 2 0 219.332 1.684 10 0 BDAERP C[C@@H]1CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)C1 ZINC000038117167 176151974 /nfs/dbraw/zinc/15/19/74/176151974.db2.gz NDPXRTUBVKDYQV-OLZOCXBDSA-N 2 0 226.364 1.223 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccnc1 ZINC000042427386 176202573 /nfs/dbraw/zinc/20/25/73/176202573.db2.gz YUCCHUAENAWAOM-NEPJUHHUSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@@H]1C[N@H+](CCCCC[NH2+]C2CC2)CCN1C ZINC000104132390 176287495 /nfs/dbraw/zinc/28/74/95/176287495.db2.gz LXGMSUAPHWVTKK-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@@H]1CN(CCC[NH+](C)C)c2ccccc2C[NH2+]1 ZINC000062622866 176289818 /nfs/dbraw/zinc/28/98/18/176289818.db2.gz HZCYNLRXQJODRV-CYBMUJFWSA-N 2 0 247.386 1.936 10 0 BDAERP C[C@@H]1C[NH2+]CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982862 176324575 /nfs/dbraw/zinc/32/45/75/176324575.db2.gz PSCCUBYPFVEFBF-OLZOCXBDSA-N 2 0 226.364 1.344 10 0 BDAERP C[C@@H]1C[NH2+]CCN1CC[C@@H]1CCCC[N@@H+]1C ZINC000054373256 176326443 /nfs/dbraw/zinc/32/64/43/176326443.db2.gz WWYZOYHZIMOMBB-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@H]1CCCC[C@@]1(CO)[N@@H+]1CCC[NH2+]CC1 ZINC000038117156 177084968 /nfs/dbraw/zinc/08/49/68/177084968.db2.gz LSGWHPNZUDXHFK-STQMWFEESA-N 2 0 226.364 1.223 10 0 BDAERP C[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000044564219 177161819 /nfs/dbraw/zinc/16/18/19/177161819.db2.gz GUNQDNZNWGKPPE-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccccn1 ZINC000042427383 177189379 /nfs/dbraw/zinc/18/93/79/177189379.db2.gz TYSYXCHVNLVYRH-RYUDHWBXSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@H]1C[N@H+](CC(C)(C)C[NH3+])CC(C)(C)O1 ZINC000051253749 177245500 /nfs/dbraw/zinc/24/55/00/177245500.db2.gz VFLFAPFTPXTEIS-JTQLQIEISA-N 2 0 214.353 1.471 10 0 BDAERP C[C@@H]([NH3+])CC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000045684874 177254149 /nfs/dbraw/zinc/25/41/49/177254149.db2.gz IKWXJSOTYQNMST-ZJUUUORDSA-N 2 0 200.326 1.223 10 0 BDAERP C[C@@H](CCC[NH3+])[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935624 177274314 /nfs/dbraw/zinc/27/43/14/177274314.db2.gz DNAICOXETODPEU-QWRGUYRKSA-N 2 0 200.326 1.225 10 0 BDAERP C[C@H]1C[NH+]=C(NC2CC[NH+](C)CC2)S1 ZINC000035295409 177281810 /nfs/dbraw/zinc/28/18/10/177281810.db2.gz SJIASNSIDJVVTQ-QMMMGPOBSA-N 2 0 213.350 1.162 10 0 BDAERP C[C@H]1COCC[N@@H+]1CC1CCC([NH3+])CC1 ZINC000037482474 177290724 /nfs/dbraw/zinc/29/07/24/177290724.db2.gz PJYNRQKZXFRVQY-UNXYVOJBSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@H]1C[C@H](C)C[NH+](CC2(O)CC[NH2+]CC2)C1 ZINC000051015870 177359189 /nfs/dbraw/zinc/35/91/89/177359189.db2.gz LISVJODUYHATMV-RYUDHWBXSA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000044518810 177364424 /nfs/dbraw/zinc/36/44/24/177364424.db2.gz CQDAQLZPHNAMQF-WCQYABFASA-N 3 0 225.380 1.140 10 0 BDAERP Cc1cc(C)c(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000400337690 225015947 /nfs/dbraw/zinc/01/59/47/225015947.db2.gz DSOWLDOXEOMNKH-STQMWFEESA-N 2 0 233.359 1.786 10 0 BDAERP C[NH+](C)[C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@H]21 ZINC000503713016 226333157 /nfs/dbraw/zinc/33/31/57/226333157.db2.gz LARBTBMLXIIAFQ-YNEHKIRRSA-N 2 0 202.301 1.606 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCSC1)[C@H]1CC[NH2+]C1 ZINC000400729982 226350446 /nfs/dbraw/zinc/35/04/46/226350446.db2.gz QHHYIHUGZOKCQC-TUAOUCFPSA-N 2 0 228.405 1.717 10 0 BDAERP Cn1cncc1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000314898616 487669954 /nfs/dbraw/zinc/66/99/54/487669954.db2.gz NCYHVXMNLDCDRG-UBHSHLNASA-N 2 0 248.374 1.022 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000251089317 487748571 /nfs/dbraw/zinc/74/85/71/487748571.db2.gz IBSRATGDTRWXRI-CYDGBPFRSA-N 2 0 226.364 1.397 10 0 BDAERP CC[C@H]1CN(c2cc[nH+]cc2C)CC[C@H]1[NH3+] ZINC000251710426 487792158 /nfs/dbraw/zinc/79/21/58/487792158.db2.gz JLTYSIHRJWOUMI-NWDGAFQWSA-N 2 0 219.332 1.954 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400591216 529083291 /nfs/dbraw/zinc/08/32/91/529083291.db2.gz UJRHMRDPKHDCKR-RWMBFGLXSA-N 2 0 225.380 1.058 10 0 BDAERP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000562744791 323029845 /nfs/dbraw/zinc/02/98/45/323029845.db2.gz VZDDLNUCKDBIHK-AAVRWANBSA-N 2 0 240.391 1.779 10 0 BDAERP CCC[C@@H](C[NH2+]C1CC[NH2+]CC1)OCC ZINC000530209444 323209900 /nfs/dbraw/zinc/20/99/00/323209900.db2.gz HRXMAHFCKBDKRC-LBPRGKRZSA-N 2 0 214.353 1.533 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400796116 324168736 /nfs/dbraw/zinc/16/87/36/324168736.db2.gz SUXUQLJHHVLEOT-YUTCNCBUSA-N 2 0 234.343 1.308 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000565827604 325961301 /nfs/dbraw/zinc/96/13/01/325961301.db2.gz KQQSCVYJZIMIGK-QNWHQSFQSA-N 2 0 226.364 1.125 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000566732238 326076783 /nfs/dbraw/zinc/07/67/83/326076783.db2.gz LIQXWTIHPMPEHH-IHRRRGAJSA-N 2 0 239.407 1.448 10 0 BDAERP CCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000568987924 326384944 /nfs/dbraw/zinc/38/49/44/326384944.db2.gz VMCTVHISNYISMX-MNOVXSKESA-N 2 0 200.326 1.001 10 0 BDAERP C[C@H]1SCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000235649629 487999041 /nfs/dbraw/zinc/99/90/41/487999041.db2.gz ABURUHUWXUSLQX-AGVGLQIMSA-N 2 0 214.378 1.740 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H]1CC[NH2+]C1 ZINC000086188799 487489621 /nfs/dbraw/zinc/48/96/21/487489621.db2.gz ZWDCSFBMVIIMOO-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]12 ZINC000662266563 490042747 /nfs/dbraw/zinc/04/27/47/490042747.db2.gz NCDSOUXRSLDINL-DBIOUOCHSA-N 2 0 246.301 1.080 10 0 BDAERP COC[C@@H](C)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757129270 582505031 /nfs/dbraw/zinc/50/50/31/582505031.db2.gz LAYRDXDLGLKRDM-QWHCGFSZSA-N 2 0 226.364 1.487 10 0 BDAERP C[C@@H]1CC[C@@]2(CCCN2CCC[NH+](C)C)C[NH2+]1 ZINC000757134039 582510286 /nfs/dbraw/zinc/51/02/86/582510286.db2.gz VUMAWTKOJCVXOD-KGLIPLIRSA-N 2 0 239.407 1.545 10 0 BDAERP CC[C@@H]1CC[NH2+][C@@]2(CCC[N@H+](C)CC2)O1 ZINC000757150542 582534511 /nfs/dbraw/zinc/53/45/11/582534511.db2.gz ZAFRWIZBASRQJD-NEPJUHHUSA-N 2 0 212.337 1.587 10 0 BDAERP C[C@@H]1O[C@@]2(CCC[N@H+](C)CC2)[NH2+]CC1(C)C ZINC000757150351 582534928 /nfs/dbraw/zinc/53/49/28/582534928.db2.gz QTIOVCLAZWQVNF-WCQYABFASA-N 2 0 226.364 1.833 10 0 BDAERP CSC[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400435426 533784370 /nfs/dbraw/zinc/78/43/70/533784370.db2.gz MPIYDFQOJMXQKF-AEJSXWLSSA-N 2 0 202.367 1.326 10 0 BDAERP C[C@H](NCC1([NH+](C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400515196 533833704 /nfs/dbraw/zinc/83/37/04/533833704.db2.gz KJGSXJWNPURUCF-NWDGAFQWSA-N 2 0 225.380 1.058 10 0 BDAERP C[C@H]([NH2+]CC1(CO)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400576497 533833812 /nfs/dbraw/zinc/83/38/12/533833812.db2.gz PEHCBNUAYGVQEI-NWDGAFQWSA-N 2 0 226.364 1.127 10 0 BDAERP C[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400355982 533859513 /nfs/dbraw/zinc/85/95/13/533859513.db2.gz OMUABONOHQRPLK-QWHCGFSZSA-N 2 0 240.391 1.923 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000400326230 533881336 /nfs/dbraw/zinc/88/13/36/533881336.db2.gz CJPFSDRMOHPKLP-CYDGBPFRSA-N 2 0 226.364 1.268 10 0 BDAERP CC(C)(C)C[C@@H](O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000226066189 534628596 /nfs/dbraw/zinc/62/85/96/534628596.db2.gz GXOHUCHONGBMCS-NWDGAFQWSA-N 2 0 228.380 1.515 10 0 BDAERP CC[N@H+](CCN[C@@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400501624 528512877 /nfs/dbraw/zinc/51/28/77/528512877.db2.gz GWMPPTWFWQULMT-RYUDHWBXSA-N 2 0 225.380 1.058 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400362133 528828762 /nfs/dbraw/zinc/82/87/62/528828762.db2.gz CJOXXCGROIAQQB-FRRDWIJNSA-N 2 0 227.396 1.303 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400430829 529091955 /nfs/dbraw/zinc/09/19/55/529091955.db2.gz BPZNZRNUOZRXKZ-XQQFMLRXSA-N 2 0 225.380 1.058 10 0 BDAERP CCC[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019865924 534932815 /nfs/dbraw/zinc/93/28/15/534932815.db2.gz PVINFUXFICNVHS-UHFFFAOYSA-N 2 0 246.358 1.503 10 0 BDAERP CC[C@@H](C)[NH+]1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000055066261 535565417 /nfs/dbraw/zinc/56/54/17/535565417.db2.gz BJEZOCZKPUCFSP-LLVKDONJSA-N 2 0 234.347 1.584 10 0 BDAERP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262176364 535822084 /nfs/dbraw/zinc/82/20/84/535822084.db2.gz VZEHTXYUWAAMSS-VOAKCMCISA-N 2 0 226.364 1.125 10 0 BDAERP C[NH+](C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253279803 535833930 /nfs/dbraw/zinc/83/39/30/535833930.db2.gz KENJWOQUIHBSQR-BFHYXJOUSA-N 2 0 240.391 1.564 10 0 BDAERP Cc1ccc(CCn2cc[nH+]c2N)nc1 ZINC000702556642 582927406 /nfs/dbraw/zinc/92/74/06/582927406.db2.gz RPPPIEGQPIBSHS-UHFFFAOYSA-N 2 0 202.261 1.411 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CCO)C1 ZINC000252742238 536354141 /nfs/dbraw/zinc/35/41/41/536354141.db2.gz JQRICNAUWKGZMH-ZIAGYGMSSA-N 2 0 240.391 1.565 10 0 BDAERP C[C@@H]1C[NH2+]C[C@]12C[N@@H+](C(C)(C)C)CC[C@H]2O ZINC000725245820 538003614 /nfs/dbraw/zinc/00/36/14/538003614.db2.gz MCCRZRVWRPRLMM-WZRBSPASSA-N 2 0 226.364 1.077 10 0 BDAERP C[NH+](C)CCCC[NH2+]CCCC[NH+](C)C ZINC000014711017 571720730 /nfs/dbraw/zinc/72/07/30/571720730.db2.gz QUMHDXJIDPCZCB-UHFFFAOYSA-N 3 0 215.385 1.260 10 0 endogenous,in-man BDAERP C[C@@H](F)CN1CCC[C@@]12CCC[NH2+]C2 ZINC000757124887 582500161 /nfs/dbraw/zinc/50/01/61/582500161.db2.gz CLEGSSOTUQATHQ-GHMZBOCLSA-N 2 0 200.301 1.562 10 0 BDAERP COCC[C@H](C)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757133349 582509844 /nfs/dbraw/zinc/50/98/44/582509844.db2.gz HZBHRYYULRYSCJ-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CC2CC2)C1 ZINC000757135112 582514310 /nfs/dbraw/zinc/51/43/10/582514310.db2.gz YVOWYHYXNWAPAQ-WCQYABFASA-N 2 0 208.349 1.860 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757138597 582518184 /nfs/dbraw/zinc/51/81/84/582518184.db2.gz CPIOTGKNFWAKIH-RYUDHWBXSA-N 2 0 224.348 1.587 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757153674 582538444 /nfs/dbraw/zinc/53/84/44/582538444.db2.gz YQVJAGHCHPHGNS-CHWSQXEVSA-N 2 0 224.348 1.444 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757209293 582560292 /nfs/dbraw/zinc/56/02/92/582560292.db2.gz DOEFWJXAFDYFRO-LERXQTSPSA-N 3 0 233.359 1.533 10 0 BDAERP Cc1cn2c([nH+]1)NCC[C@H]2[C@H]1CCC[NH2+]C1 ZINC000236046209 582637360 /nfs/dbraw/zinc/63/73/60/582637360.db2.gz IQBYMUBGHCBRCK-QWRGUYRKSA-N 2 0 220.320 1.548 10 0 BDAERP Cc1cn2c([nH+]1)N[C@H]([C@@H]1CCC[NH2+]C1)CC2 ZINC000236043837 582637673 /nfs/dbraw/zinc/63/76/73/582637673.db2.gz UTABVZKAPWAVNZ-MNOVXSKESA-N 2 0 220.320 1.375 10 0 BDAERP CN1CCC([N@H+](C)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675053868 583928860 /nfs/dbraw/zinc/92/88/60/583928860.db2.gz OWCMWESDBBMSJW-JSGCOSHPSA-N 2 0 239.407 1.530 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757126402 586425873 /nfs/dbraw/zinc/42/58/73/586425873.db2.gz FNXXCOPAKCPTEF-GFCCVEGCSA-N 2 0 226.364 1.487 10 0 BDAERP [NH3+]CC[C@@H]1CC[C@H](C2CCOCC2)[NH2+]C1 ZINC000757212107 586438818 /nfs/dbraw/zinc/43/88/18/586438818.db2.gz LRPHJNBSTHMUKG-CMPLNLGQSA-N 2 0 212.337 1.130 10 0 BDAERP [NH3+]C[C@@H]1C[NH2+]C[C@H](c2ccc(C=O)s2)C1 ZINC000757213029 586439639 /nfs/dbraw/zinc/43/96/39/586439639.db2.gz KSEURASCQFOBJR-RKDXNWHRSA-N 2 0 224.329 1.212 10 0 BDAERP [NH3+][C@H]1CC[NH2+][C@H](c2cccc(C=O)c2)C1 ZINC000757213385 586439672 /nfs/dbraw/zinc/43/96/72/586439672.db2.gz JVAWALPLCSDZHI-RYUDHWBXSA-N 2 0 204.273 1.251 10 0 BDAERP C[C@@H]1CCN[C@@H](c2ccc(C[NH3+])cc2)[C@@H]1[NH3+] ZINC000757213709 586439953 /nfs/dbraw/zinc/43/99/53/586439953.db2.gz LOKYLSVABMXBND-WQAKAFBOSA-N 2 0 219.332 1.143 10 0 BDAERP Nc1cccc([C@H]2CC[C@H](C[NH3+])C[NH2+]2)c1 ZINC000757215243 586440786 /nfs/dbraw/zinc/44/07/86/586440786.db2.gz MUJPBQXVAGDQEM-BXKDBHETSA-N 2 0 205.305 1.268 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757216678 586441116 /nfs/dbraw/zinc/44/11/16/586441116.db2.gz QMRJZLCJCQWZEH-ZWNOBZJWSA-N 2 0 204.317 1.858 10 0 BDAERP CC(=O)c1cccc([C@H]2[NH2+]CCC[C@@H]2C[NH3+])c1 ZINC000757219111 586442038 /nfs/dbraw/zinc/44/20/38/586442038.db2.gz YESADMFSRLPKCG-ZIAGYGMSSA-N 2 0 232.327 1.889 10 0 BDAERP C[C@H]1C[NH2+]C[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757220258 586442414 /nfs/dbraw/zinc/44/24/14/586442414.db2.gz XSFWOFXXUGVTKV-MFKMUULPSA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2ccc(C=O)s2)[NH2+]1 ZINC000757220859 586442742 /nfs/dbraw/zinc/44/27/42/586442742.db2.gz ZRNHIUHQIQMIPC-PTRXPTGYSA-N 2 0 238.356 1.949 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1CC[C@@H](C[NH3+])C[NH2+]1 ZINC000757235807 586443661 /nfs/dbraw/zinc/44/36/61/586443661.db2.gz MWODRRQIXXHZIW-GWCFXTLKSA-N 2 0 219.332 1.577 10 0 BDAERP Cc1ccc(N)cc1[C@H]1CC[C@H](CC[NH3+])C[NH2+]1 ZINC000757238470 586444481 /nfs/dbraw/zinc/44/44/81/586444481.db2.gz SBTWBSLXQQXFNE-BXUZGUMPSA-N 2 0 233.359 1.967 10 0 BDAERP C([C@H]1CCCO1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257722689 634480529 /nfs/dbraw/zinc/48/05/29/634480529.db2.gz VYBHJVZIKRYIIW-OLZOCXBDSA-N 2 0 224.348 1.241 10 0 BDAERP Cc1cnn(CC[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000234312002 631236459 /nfs/dbraw/zinc/23/64/59/631236459.db2.gz MEAFGGSFARIVAT-UHFFFAOYSA-N 2 0 236.363 1.123 10 0 BDAERP CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C12CCC2 ZINC000308361992 631305854 /nfs/dbraw/zinc/30/58/54/631305854.db2.gz HRKKHNVUDYPTBH-YNEHKIRRSA-N 2 0 240.391 1.731 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C12CCC2 ZINC000308361991 631306256 /nfs/dbraw/zinc/30/62/56/631306256.db2.gz HRKKHNVUDYPTBH-RWMBFGLXSA-N 2 0 240.391 1.731 10 0 BDAERP C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309467147 633110414 /nfs/dbraw/zinc/11/04/14/633110414.db2.gz QEJYNWJUTHXEPV-KXNHARMFSA-N 2 0 212.337 1.223 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCCCO)C[C@@H]12 ZINC000309363564 633901234 /nfs/dbraw/zinc/90/12/34/633901234.db2.gz PCIKXUCJLVZGJF-JHJVBQTASA-N 2 0 226.364 1.208 10 0 BDAERP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250827187 635498778 /nfs/dbraw/zinc/49/87/78/635498778.db2.gz YIGJNWGQFWEZSG-UBHSHLNASA-N 2 0 216.328 1.823 10 0 BDAERP [NH3+]C1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000044677391 640452687 /nfs/dbraw/zinc/45/26/87/640452687.db2.gz AWZPUSCXGCTCSF-KBPBESRZSA-N 2 0 216.328 1.966 10 0 BDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCCO1 ZINC000227734832 640846528 /nfs/dbraw/zinc/84/65/28/640846528.db2.gz CBDSYINWUZJDLA-RYUDHWBXSA-N 2 0 214.353 1.471 10 0 BDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000228225294 640867018 /nfs/dbraw/zinc/86/70/18/640867018.db2.gz XKKIOZKOSJJZMQ-REWJHTLYSA-N 2 0 238.375 1.757 10 0 BDAERP O[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000231979544 641225583 /nfs/dbraw/zinc/22/55/83/641225583.db2.gz DUELOWZNWWVVAT-PWSUYJOCSA-N 2 0 240.372 1.371 10 0 BDAERP C[NH+](C)C[C@](C)(O)C[NH2+]CCc1ccccc1 ZINC000232017866 641232345 /nfs/dbraw/zinc/23/23/45/641232345.db2.gz RZUZYZSCXLXPPO-CQSZACIVSA-N 2 0 236.359 1.131 10 0 BDAERP CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666787 643363288 /nfs/dbraw/zinc/36/32/88/643363288.db2.gz HDJMCMXHXGGUQM-CHWSQXEVSA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]1C[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000085014291 643680859 /nfs/dbraw/zinc/68/08/59/643680859.db2.gz JJOBQTNIKGDTAG-KKOKHZNYSA-N 2 0 212.337 1.223 10 0 BDAERP C[C@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1N(C)C ZINC000251841442 644826726 /nfs/dbraw/zinc/82/67/26/644826726.db2.gz QMAYTBQZRTXGIT-QWHCGFSZSA-N 2 0 227.396 1.387 10 0 BDAERP C[NH+](C)C1(C)CC[NH+](CC2(O)CCC2)CC1 ZINC000709815276 712228407 /nfs/dbraw/zinc/22/84/07/712228407.db2.gz FURFCPCJWQDHSQ-UHFFFAOYSA-N 2 0 226.364 1.318 10 0 BDAERP C[C@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C[NH3+] ZINC000714799514 712498470 /nfs/dbraw/zinc/49/84/70/712498470.db2.gz JVZNOJXVMRMKLX-ASEORRQLSA-N 2 0 222.376 1.949 10 0 BDAERP C[C@H]1C[N@H+](CCCC(C)(F)F)C[C@@H]1C[NH3+] ZINC000718608707 712773214 /nfs/dbraw/zinc/77/32/14/712773214.db2.gz PWFRBWCFHIJPEH-UWVGGRQHSA-N 2 0 220.307 1.948 10 0 BDAERP COCC(C)(C)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000718794172 712784661 /nfs/dbraw/zinc/78/46/61/712784661.db2.gz XVKPWSVBNTVHPG-GFCCVEGCSA-N 2 0 228.380 1.781 10 0 BDAERP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000723633746 711527726 /nfs/dbraw/zinc/52/77/26/711527726.db2.gz LNVUHCZNLMXOJH-SDDRHHMPSA-N 2 0 235.331 1.461 10 0 BDAERP C[N@H+](C[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000051253024 711637481 /nfs/dbraw/zinc/63/74/81/711637481.db2.gz YOCKBBWSSMATTH-SNVBAGLBSA-N 2 0 200.326 1.082 10 0 BDAERP Cc1cc(N[C@@H]2C[NH2+]C[C@H]2C)c2ccccc2[nH+]1 ZINC000721877547 711794707 /nfs/dbraw/zinc/79/47/07/711794707.db2.gz ZKYBBJWFJRCWQR-MEBBXXQBSA-N 2 0 241.338 1.985 10 0 BDAERP C[C@H]1CN(CCC[NH2+]C2CC2)C[C@@H]1[NH+](C)C ZINC000132538319 711966797 /nfs/dbraw/zinc/96/67/97/711966797.db2.gz CALAYVPDTUXDON-AAEUAGOBSA-N 2 0 225.380 1.010 10 0 BDAERP C[N@H+](C[C@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700403418 711992429 /nfs/dbraw/zinc/99/24/29/711992429.db2.gz INRYKXFDOQSIEW-QWHCGFSZSA-N 2 0 226.364 1.487 10 0 BDAERP COCC1CC([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000713961174 712474982 /nfs/dbraw/zinc/47/49/82/712474982.db2.gz SNBNRSGYFPOWBM-DCBWTQNWSA-N 2 0 240.391 1.731 10 0 BDAERP COCC1CC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000713978498 712475900 /nfs/dbraw/zinc/47/59/00/712475900.db2.gz PUMDMQJGALWYJN-XKGSQUFQSA-N 2 0 212.337 1.142 10 0 BDAERP C(C[C@H]1CCCS1)[NH2+]C1CC[NH2+]CC1 ZINC000715751676 712531985 /nfs/dbraw/zinc/53/19/85/712531985.db2.gz UDNGLYICNISCSA-LLVKDONJSA-N 2 0 214.378 1.614 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]C1 ZINC000717628236 712661918 /nfs/dbraw/zinc/66/19/18/712661918.db2.gz VOQYHJXSPGKDSN-YNEHKIRRSA-N 2 0 240.391 1.779 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955095 538900057 /nfs/dbraw/zinc/90/00/57/538900057.db2.gz SVAUVUOTFVCPRE-QNWHQSFQSA-N 2 0 226.364 1.756 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCSC2 ZINC000685955220 538900982 /nfs/dbraw/zinc/90/09/82/538900982.db2.gz WJEVZOCOEZQWOT-GHMZBOCLSA-N 2 0 214.378 1.695 10 0 BDAERP Cc1ccc(C)c([C@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965674 538912315 /nfs/dbraw/zinc/91/23/15/538912315.db2.gz OINPOFKNJKKFPT-CHWSQXEVSA-N 2 0 204.317 1.708 10 0 BDAERP Cc1ccc(F)cc1[C@@H]1C[NH2+]C[C@@]1(C)N ZINC000685965670 538912369 /nfs/dbraw/zinc/91/23/69/538912369.db2.gz OGNGHKJBJXAVQB-NWDGAFQWSA-N 2 0 208.280 1.538 10 0 BDAERP Cc1cc(N(C)CC[NH+](C)C)ccc1C[C@@H](C)[NH3+] ZINC000104258444 178099348 /nfs/dbraw/zinc/09/93/48/178099348.db2.gz MKOPULMBTGMLII-CYBMUJFWSA-N 2 0 249.402 1.883 10 0 BDAERP Cn1ccc([C@@H]2[NH2+]CC23CC[NH2+]CC3)c1 ZINC000536958513 398199085 /nfs/dbraw/zinc/19/90/85/398199085.db2.gz GKJVFRDEBMLHOT-NSHDSACASA-N 2 0 205.305 1.039 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(Br)nc1 ZINC000306737158 398185495 /nfs/dbraw/zinc/18/54/95/398185495.db2.gz RCHQIGYXJIEKHD-ZETCQYMHSA-N 2 0 230.109 1.193 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000378763263 346828348 /nfs/dbraw/zinc/82/83/48/346828348.db2.gz BWICRPDCUDVSFF-GRYCIOLGSA-N 2 0 212.337 1.238 10 0 BDAERP CCC(CC)[N@H+](CCOC)[C@](C)(CN)COC ZINC000053198561 168376200 /nfs/dbraw/zinc/37/62/00/168376200.db2.gz SPDVESTWMASUGR-CYBMUJFWSA-N 2 0 246.395 1.487 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631844248 398290301 /nfs/dbraw/zinc/29/03/01/398290301.db2.gz VZPOHDLDOUPJIQ-JQWIXIFHSA-N 2 0 222.307 1.852 10 0 BDAERP COCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562957100 323035130 /nfs/dbraw/zinc/03/51/30/323035130.db2.gz WEEHMXYAHDKGSJ-RYUDHWBXSA-N 2 0 228.380 1.637 10 0 BDAERP C1CC([N@@H+]2CCCSCC2)CC[NH2+]1 ZINC000043501217 343098858 /nfs/dbraw/zinc/09/88/58/343098858.db2.gz JWQZNXMBIXOLQM-UHFFFAOYSA-N 2 0 200.351 1.177 10 0 BDAERP CCCCOCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168734310 136269897 /nfs/dbraw/zinc/26/98/97/136269897.db2.gz AQDYAVRKHGIUAN-LBPRGKRZSA-N 2 0 214.353 1.535 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409427988 343802492 /nfs/dbraw/zinc/80/24/92/343802492.db2.gz LNEXUDFHYZDEGV-UWVGGRQHSA-N 2 0 218.291 1.702 10 0 BDAERP CC(F)(F)C1CC[NH+](CCC[NH3+])CC1 ZINC000409425214 343818682 /nfs/dbraw/zinc/81/86/82/343818682.db2.gz FMLNJSMHLLPDKK-UHFFFAOYSA-N 2 0 206.280 1.702 10 0 BDAERP CCC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@@H]1O ZINC000409436402 343839320 /nfs/dbraw/zinc/83/93/20/343839320.db2.gz ZPSDJSYCRWWVGS-AAEUAGOBSA-N 2 0 226.364 1.221 10 0 BDAERP CS[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000235234481 343874846 /nfs/dbraw/zinc/87/48/46/343874846.db2.gz WGHFUQMXIFQCRP-HBNTYKKESA-N 2 0 214.378 1.551 10 0 BDAERP C[C@@H](c1ccccn1)N(C)C[C@H]1CC[NH2+]C1 ZINC000248085405 345035754 /nfs/dbraw/zinc/03/57/54/345035754.db2.gz RQWNGGPHIKFGSX-RYUDHWBXSA-N 2 0 219.332 1.684 10 0 BDAERP CC[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000248237256 345085875 /nfs/dbraw/zinc/08/58/75/345085875.db2.gz FIMFRDJROGUFBE-GJZGRUSLSA-N 2 0 248.370 1.479 10 0 BDAERP COC1(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000634998290 345198070 /nfs/dbraw/zinc/19/80/70/345198070.db2.gz CYQZLRRFPCUXBB-RYUDHWBXSA-N 2 0 226.364 1.472 10 0 BDAERP Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999132 345199601 /nfs/dbraw/zinc/19/96/01/345199601.db2.gz QLGUGBDWRMXHNN-CABZTGNLSA-N 2 0 236.363 1.064 10 0 BDAERP CCC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000635004584 345207737 /nfs/dbraw/zinc/20/77/37/345207737.db2.gz PQYCPOACFDTEDR-JHJVBQTASA-N 2 0 228.380 1.515 10 0 BDAERP C[C@H]1SCC[N@H+](CC(C)(C)C[NH3+])[C@@H]1C ZINC000132516912 345333984 /nfs/dbraw/zinc/33/39/84/345333984.db2.gz IMUVDYHGCWHFGV-NXEZZACHSA-N 2 0 216.394 1.797 10 0 BDAERP Cc1cccc(CC[NH+]2CCC([NH3+])CC2)c1 ZINC000051670313 179056889 /nfs/dbraw/zinc/05/68/89/179056889.db2.gz HRLCBRCSEUQJKG-UHFFFAOYSA-N 2 0 218.344 1.961 10 0 BDAERP COc1cc(CN(C)[C@@H]2CCC[NH2+]CC2)on1 ZINC000641799348 362749117 /nfs/dbraw/zinc/74/91/17/362749117.db2.gz VEBAAAISLXBCDF-SNVBAGLBSA-N 2 0 239.319 1.257 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCCSCC2)CCC1 ZINC000168530259 346737063 /nfs/dbraw/zinc/73/70/63/346737063.db2.gz RCEGAUUBHYOKEU-UHFFFAOYSA-N 2 0 214.378 1.554 10 0 BDAERP C[C@@H](COCc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000390571689 259393894 /nfs/dbraw/zinc/39/38/94/259393894.db2.gz UDQZIVJDMDRZNL-ZDUSSCGKSA-N 2 0 248.370 1.933 10 0 BDAERP CCSCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601327650 347214117 /nfs/dbraw/zinc/21/41/17/347214117.db2.gz YEDCWDNMBRIGAL-UWVGGRQHSA-N 2 0 202.367 1.266 10 0 BDAERP CO[C@H]([C@H](C)[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000388286355 347291886 /nfs/dbraw/zinc/29/18/86/347291886.db2.gz QSTTZBKGBPREMJ-ZHYKRGJUSA-N 2 0 226.364 1.659 10 0 BDAERP CO[C@@H]([C@H](C)[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000388286356 347291934 /nfs/dbraw/zinc/29/19/34/347291934.db2.gz QSTTZBKGBPREMJ-ZIUBGBMXSA-N 2 0 226.364 1.659 10 0 BDAERP C[C@H]1C[C@@H](c2cc(C[NH3+])ccc2N)CC[NH2+]1 ZINC000669380467 537989005 /nfs/dbraw/zinc/98/90/05/537989005.db2.gz NWVDOYZDTNVWBI-ONGXEEELSA-N 2 0 219.332 1.583 10 0 BDAERP Cc1nccn1[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569141 347591428 /nfs/dbraw/zinc/59/14/28/347591428.db2.gz ICFSJXACYJPGPQ-ZCFIWIBFSA-N 2 0 243.179 1.889 10 0 BDAERP Cc1ccccc1OCC[NH2+]CCC[NH+](C)C ZINC000041271790 179311167 /nfs/dbraw/zinc/31/11/67/179311167.db2.gz QWGGNTYPQKXHHT-UHFFFAOYSA-N 2 0 236.359 1.915 10 0 BDAERP CC(C)(C)OC(=O)N[C@H](CC[NH3+])CCCC[NH3+] ZINC000725244233 537995679 /nfs/dbraw/zinc/99/56/79/537995679.db2.gz KTTTWUJTXLWVHS-JTQLQIEISA-N 2 0 245.367 1.358 10 0 BDAERP C[C@@H]1C[C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)C1 ZINC000669381595 537996468 /nfs/dbraw/zinc/99/64/68/537996468.db2.gz OSFFGEWHKUTJOP-JHJVBQTASA-N 2 0 225.380 1.010 10 0 BDAERP Cc1ccc(C[C@@H]2C[N@H+](C)CC[C@H]2[NH3+])cc1 ZINC000251511281 362883462 /nfs/dbraw/zinc/88/34/62/362883462.db2.gz ZXIGWTDJDQHKDK-ZIAGYGMSSA-N 2 0 218.344 1.817 10 0 BDAERP C[NH2+]C1CC[NH+](C2CCSCC2)CC1 ZINC000220774390 350186423 /nfs/dbraw/zinc/18/64/23/350186423.db2.gz XLFVIERIUKVSOX-UHFFFAOYSA-N 2 0 214.378 1.566 10 0 BDAERP CCC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409436403 350478554 /nfs/dbraw/zinc/47/85/54/350478554.db2.gz ZPSDJSYCRWWVGS-DGCLKSJQSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)CS1 ZINC000227511634 350499219 /nfs/dbraw/zinc/49/92/19/350499219.db2.gz IUWMNDJUCBIQQQ-KXUCPTDWSA-N 2 0 200.351 1.161 10 0 BDAERP [NH3+]CCN1CCC[C@@H](c2ncco2)CC1 ZINC000616600321 350779758 /nfs/dbraw/zinc/77/97/58/350779758.db2.gz BTARPEVRMGBQQI-SNVBAGLBSA-N 2 0 209.293 1.203 10 0 BDAERP CNc1ccc([C@H]2CCCN2CC[NH3+])cc1 ZINC000616608517 350804353 /nfs/dbraw/zinc/80/43/53/350804353.db2.gz UTHGIIDSTMUVQS-CYBMUJFWSA-N 2 0 219.332 1.824 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1[C@H]1CC[C@@H]1C[NH3+] ZINC000251847104 350904922 /nfs/dbraw/zinc/90/49/22/350904922.db2.gz RAJRFBCWWDRINF-BBBLOLIVSA-N 2 0 200.351 1.161 10 0 BDAERP CC(C)[C@H](C)[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000252691539 350913965 /nfs/dbraw/zinc/91/39/65/350913965.db2.gz YIKCLCIPUYALHV-DCAQKATOSA-N 2 0 200.326 1.079 10 0 BDAERP CNC(=[NH2+])N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000306719111 350880597 /nfs/dbraw/zinc/88/05/97/350880597.db2.gz JXPDSXSQRXXRRK-YPMHNXCESA-N 2 0 246.358 1.251 10 0 BDAERP CCC(C)(C)N(C)[C@@H]1COCC[C@H]1[NH3+] ZINC000251246921 350893751 /nfs/dbraw/zinc/89/37/51/350893751.db2.gz JOQWDPJVWMAHFN-NXEZZACHSA-N 2 0 200.326 1.223 10 0 BDAERP C[C@@H]1C[NH2+][C@@](C)(C2CC[NH2+]CC2)S1 ZINC000306971382 351392024 /nfs/dbraw/zinc/39/20/24/351392024.db2.gz SCRNPCWWCUKXLO-PSASIEDQSA-N 2 0 200.351 1.427 10 0 BDAERP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000307023950 351429502 /nfs/dbraw/zinc/42/95/02/351429502.db2.gz YHPZCTLTSCADRL-WCBMZHEXSA-N 2 0 200.351 1.080 10 0 BDAERP C[C@H]1C[N@@H+](C2CSC2)C[C@@]1(C)C[NH3+] ZINC000307030469 351431351 /nfs/dbraw/zinc/43/13/51/351431351.db2.gz PNHLAICTZZPUTE-WCBMZHEXSA-N 2 0 200.351 1.019 10 0 BDAERP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CSC2(C)C)C1 ZINC000307147503 351500398 /nfs/dbraw/zinc/50/03/98/351500398.db2.gz IBIVVSRILBBTMQ-ZJUUUORDSA-N 2 0 214.378 1.422 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000307329900 352029226 /nfs/dbraw/zinc/02/92/26/352029226.db2.gz XIKNKVPOIXBECT-RCWTZXSCSA-N 2 0 214.378 1.468 10 0 BDAERP [NH3+]CCc1nc2c(s1)C[N@H+](CC1CC1)CC2 ZINC000725270525 538102167 /nfs/dbraw/zinc/10/21/67/538102167.db2.gz AQESZJAOORTYQQ-UHFFFAOYSA-N 2 0 237.372 1.412 10 0 BDAERP C[C@@H]1CSCC[N@@H+]([C@@H]2CC[C@H]2C[NH3+])C1 ZINC000307461987 352611057 /nfs/dbraw/zinc/61/10/57/352611057.db2.gz GAATWQHDLFUULT-GARJFASQSA-N 2 0 214.378 1.409 10 0 BDAERP C[C@H]1CCC[N@@H+](C2CCN(CC[NH3+])CC2)[C@H]1C ZINC000725273883 538104762 /nfs/dbraw/zinc/10/47/62/538104762.db2.gz PUFBTIVFNBPWMY-STQMWFEESA-N 2 0 239.407 1.530 10 0 BDAERP C[C@H](C[NH3+])[C@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307494433 352624845 /nfs/dbraw/zinc/62/48/45/352624845.db2.gz HTHLDRSEOCTVEW-MXWKQRLJSA-N 2 0 216.394 1.797 10 0 BDAERP CC(C)N(C)C(=O)CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250476248 188259032 /nfs/dbraw/zinc/25/90/32/188259032.db2.gz ALGKZHWYOUEXIA-RYUDHWBXSA-N 2 0 241.379 1.055 10 0 BDAERP CC[C@H](CC[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036231973 188278596 /nfs/dbraw/zinc/27/85/96/188278596.db2.gz CCKHOKZPWFZOOE-SNVBAGLBSA-N 2 0 200.326 1.225 10 0 BDAERP CC(C)[NH+]1CCN([C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000036170969 188278900 /nfs/dbraw/zinc/27/89/00/188278900.db2.gz HIIMCHAJTAABIH-MELADBBJSA-N 2 0 239.407 1.528 10 0 BDAERP CC(C)[C@@](C)(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392018 188293307 /nfs/dbraw/zinc/29/33/07/188293307.db2.gz QMZAKXQUMKTSBY-CQSZACIVSA-N 2 0 241.423 1.633 10 0 BDAERP CC(C)[N@@H+]1CC[C@@H](CN2CCC([NH3+])CC2)C1 ZINC000045135347 188298127 /nfs/dbraw/zinc/29/81/27/188298127.db2.gz DNLQGFSHAVWUKW-LBPRGKRZSA-N 2 0 225.380 1.140 10 0 BDAERP C(COCC[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000051918266 188299914 /nfs/dbraw/zinc/29/99/14/188299914.db2.gz VPGOWHMIPGYYGU-AWEZNQCLSA-N 2 0 240.391 1.879 10 0 BDAERP COc1ccc([C@H](CC[NH3+])C[NH+](C)C)cc1F ZINC000076621927 188310692 /nfs/dbraw/zinc/31/06/92/188310692.db2.gz YWGZJEPCNMHOAJ-LLVKDONJSA-N 2 0 240.322 1.828 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000336670616 188340209 /nfs/dbraw/zinc/34/02/09/188340209.db2.gz FUUNFUWNGOJGLR-VXGBXAGGSA-N 2 0 216.369 1.501 10 0 BDAERP CC(C)N(C)[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043126529 188325031 /nfs/dbraw/zinc/32/50/31/188325031.db2.gz QMYSWUITEGQMHN-MWLCHTKSSA-N 2 0 210.325 1.149 10 0 BDAERP C(C[NH+]1CCC[NH2+]CCC1)[C@@H]1CCCO1 ZINC000044510701 188325898 /nfs/dbraw/zinc/32/58/98/188325898.db2.gz KZVRLZYFYIIIKN-LBPRGKRZSA-N 2 0 212.337 1.241 10 0 BDAERP C[NH2+]Cc1cc(C[N@@H+]2CC[C@H](C)C2)on1 ZINC000052484445 188333988 /nfs/dbraw/zinc/33/39/88/188333988.db2.gz LCPVAOCMSSWCKQ-VIFPVBQESA-N 2 0 209.293 1.236 10 0 BDAERP CC(C)CCOCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515165 355252113 /nfs/dbraw/zinc/25/21/13/355252113.db2.gz DDHRTXQVFGODCY-CQSZACIVSA-N 2 0 242.407 1.933 10 0 BDAERP CCN1CC[C@@H]([NH2+]C[C@@H](OC)C2CCCC2)C1 ZINC000639266651 355324762 /nfs/dbraw/zinc/32/47/62/355324762.db2.gz KVYFXPVOYOPTSL-ZIAGYGMSSA-N 2 0 240.391 1.875 10 0 BDAERP NC(=[NH2+])CC[N@H+](CCCn1ccnc1)C1CC1 ZINC000042548203 181186460 /nfs/dbraw/zinc/18/64/60/181186460.db2.gz NPWPQQGORREAOK-UHFFFAOYSA-N 2 0 235.335 1.064 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCCOC1 ZINC000389066041 355582413 /nfs/dbraw/zinc/58/24/13/355582413.db2.gz LIVYDOOPFSYCAW-UMSGYPCISA-N 2 0 226.364 1.519 10 0 BDAERP Cn1ncc(C[NH3+])c1C[NH+]1CCC(C)(C)CC1 ZINC000675056960 538479419 /nfs/dbraw/zinc/47/94/19/538479419.db2.gz ZMHCPNYPJCCFSF-UHFFFAOYSA-N 2 0 236.363 1.501 10 0 BDAERP CC(C)[N@H+](C)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059685 538484792 /nfs/dbraw/zinc/48/47/92/538484792.db2.gz UERZXALTOQTKPN-OAHLLOKOSA-N 2 0 248.370 1.706 10 0 BDAERP CC(C)[NH+]1CCC2(CCC[C@@H](C[NH3+])O2)CC1 ZINC000675072226 538502843 /nfs/dbraw/zinc/50/28/43/538502843.db2.gz AWVUOIUIVBZBSN-LBPRGKRZSA-N 2 0 226.364 1.757 10 0 BDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000156012872 538751138 /nfs/dbraw/zinc/75/11/38/538751138.db2.gz VEOJNDLOADDGJY-REWJHTLYSA-N 2 0 238.375 1.506 10 0 BDAERP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000231323816 357612943 /nfs/dbraw/zinc/61/29/43/357612943.db2.gz IPBXABXIZGPSES-STQMWFEESA-N 2 0 236.363 1.264 10 0 BDAERP C[C@H](CC[NH+](C)C)N[C@H]1CCC[NH2+]CC1 ZINC000168739471 134247600 /nfs/dbraw/zinc/24/76/00/134247600.db2.gz DLIRHVAOVDOZKZ-NEPJUHHUSA-N 3 0 213.369 1.058 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222977907 358216140 /nfs/dbraw/zinc/21/61/40/358216140.db2.gz QDEIUFYHRSZXSI-IJLUTSLNSA-N 2 0 214.353 1.253 10 0 BDAERP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000226226553 358335738 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364084498 /nfs/dbraw/zinc/08/44/98/364084498.db2.gz QZBYSDCTECCHKT-RYUDHWBXSA-N 2 0 232.343 1.564 10 0 BDAERP CO[C@H]1C[N@H+](CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630354791 364077089 /nfs/dbraw/zinc/07/70/89/364077089.db2.gz AZIWGHNNKQPZAK-MNOVXSKESA-N 2 0 200.326 1.081 10 0 BDAERP CCCCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630355352 364077457 /nfs/dbraw/zinc/07/74/57/364077457.db2.gz GWZTWIUZAFNFIZ-NEPJUHHUSA-N 2 0 214.353 1.615 10 0 BDAERP CO[C@H]1CN(CCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630359726 364079716 /nfs/dbraw/zinc/07/97/16/364079716.db2.gz HCMXUQLGJBSXJY-HUUCEWRRSA-N 2 0 248.370 1.667 10 0 BDAERP CO[C@@H]1CN(Cc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630364016 364082363 /nfs/dbraw/zinc/08/23/63/364082363.db2.gz OEPIVCKEFRZRDX-QWHCGFSZSA-N 2 0 235.331 1.020 10 0 BDAERP CO[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630370335 364087711 /nfs/dbraw/zinc/08/77/11/364087711.db2.gz ZGPPRPCOVIKDLK-FIQHERPVSA-N 2 0 212.337 1.081 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CCCC1 ZINC000051252600 181359024 /nfs/dbraw/zinc/35/90/24/181359024.db2.gz TUSWVMMIPJLKIT-QWHCGFSZSA-N 2 0 238.375 1.759 10 0 BDAERP Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)cc[nH+]1 ZINC000630556450 364253336 /nfs/dbraw/zinc/25/33/36/364253336.db2.gz GZWAUNSSKNDWNC-HAQNSBGRSA-N 2 0 219.332 1.741 10 0 BDAERP CN(CCC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000037478507 541376890 /nfs/dbraw/zinc/37/68/90/541376890.db2.gz GVRDDZFFYKUZNC-UHFFFAOYSA-N 2 0 225.380 1.155 10 0 BDAERP [NH3+]CCCCCN1CCC[N@H+](CC2CC2)CC1 ZINC000036765335 181375512 /nfs/dbraw/zinc/37/55/12/181375512.db2.gz DPMQQZBASSHHSJ-UHFFFAOYSA-N 2 0 239.407 1.533 10 0 BDAERP Cc1c[nH+]ccc1N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000191980619 365001032 /nfs/dbraw/zinc/00/10/32/365001032.db2.gz RXWRINDYAINHGR-CHWSQXEVSA-N 2 0 249.358 1.281 10 0 BDAERP [NH3+]CCCN[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671478 181382983 /nfs/dbraw/zinc/38/29/83/181382983.db2.gz UBTDEODYTFHFDG-HNNXBMFYSA-N 2 0 247.386 1.242 10 0 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ZINC000405293439 372150114 /nfs/dbraw/zinc/15/01/14/372150114.db2.gz ZMOVIAPEDZBYDM-RKDXNWHRSA-N 2 0 200.351 1.161 10 0 BDAERP Cc1cnccc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837456 372627752 /nfs/dbraw/zinc/62/77/52/372627752.db2.gz SLRPOPNZUSZDBJ-AAEUAGOBSA-N 2 0 219.332 1.417 10 0 BDAERP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000069723833 373658015 /nfs/dbraw/zinc/65/80/15/373658015.db2.gz PYMSZAOTZIIHEV-GHMZBOCLSA-N 2 0 214.378 1.553 10 0 BDAERP OCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000132299662 183070347 /nfs/dbraw/zinc/07/03/47/183070347.db2.gz VEWIVVMRTWQIDC-HNNXBMFYSA-N 2 0 248.370 1.481 10 0 BDAERP OC[C@H](c1ccccc1)N1CCC[NH2+]CC1 ZINC000038117347 183144736 /nfs/dbraw/zinc/14/47/36/183144736.db2.gz FENBQKBBJMQWAQ-CYBMUJFWSA-N 2 0 220.316 1.015 10 0 BDAERP CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000037097930 169085976 /nfs/dbraw/zinc/08/59/76/169085976.db2.gz SJSGTWQZMNILRK-LLVKDONJSA-N 2 0 249.358 1.814 10 0 BDAERP CCC[N@H+](C[C@@H](C)C(=O)OC)C1CC[NH2+]CC1 ZINC000037539196 169171797 /nfs/dbraw/zinc/17/17/97/169171797.db2.gz IULQVOBKDVZANM-LLVKDONJSA-N 2 0 242.363 1.260 10 0 BDAERP CCC[NH+]1CCN([C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052421752 169202319 /nfs/dbraw/zinc/20/23/19/169202319.db2.gz ZNRVHVDEOAZNGL-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH+]1CCN([C@H](CC)C[NH2+]C2CC2)CC1 ZINC000052421775 169203815 /nfs/dbraw/zinc/20/38/15/169203815.db2.gz UYFZPRPZVMKANY-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[N@@H+]1CCc2nc([C@H](C)C[NH3+])sc2C1 ZINC000054158324 169208074 /nfs/dbraw/zinc/20/80/74/169208074.db2.gz PPXACGVEMBGOHG-SECBINFHSA-N 2 0 239.388 1.973 10 0 BDAERP CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000037689498 169255772 /nfs/dbraw/zinc/25/57/72/169255772.db2.gz BGOFCSZSLHVEJR-OLZOCXBDSA-N 2 0 226.364 1.364 10 0 BDAERP CCC[NH2+]CC1(C[N@H+](C)C[C@H](C)O)CCCC1 ZINC000051840407 169257344 /nfs/dbraw/zinc/25/73/44/169257344.db2.gz YNHOCGUVPVTGCF-ZDUSSCGKSA-N 2 0 242.407 1.859 10 0 BDAERP CCC[NH2+]CCCCN1CC[NH+](CCC)CC1 ZINC000052421713 169257462 /nfs/dbraw/zinc/25/74/62/169257462.db2.gz PPEPVSXCIOQDCD-UHFFFAOYSA-N 2 0 241.423 1.794 10 0 BDAERP c1cc(C2CC[NH2+]CC2)cc2c1C[NH2+]C2 ZINC000066354436 183366774 /nfs/dbraw/zinc/36/67/74/183366774.db2.gz RWOIIKQFIFMQHU-UHFFFAOYSA-N 2 0 202.301 1.757 10 0 BDAERP CCC[NH2+]CCOCC[NH+](CC)CC ZINC000051844889 169260666 /nfs/dbraw/zinc/26/06/66/169260666.db2.gz FMQIEOSLRJSJRF-UHFFFAOYSA-N 2 0 202.342 1.344 10 0 BDAERP CCC[NH2+]C[C@@H]1CCN([C@@H](C)CC[NH+](C)C)C1 ZINC000053032727 169261962 /nfs/dbraw/zinc/26/19/62/169261962.db2.gz WKGREPIALNFHOV-KBPBESRZSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@H]1CC[C@@H](COCC[NH+](C)C)O1 ZINC000052669856 169264951 /nfs/dbraw/zinc/26/49/51/169264951.db2.gz AJLSMPHHPIPJDX-OLZOCXBDSA-N 2 0 244.379 1.112 10 0 BDAERP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CC3)C2)nc1 ZINC000053012176 183393349 /nfs/dbraw/zinc/39/33/49/183393349.db2.gz DXKCDIPNIDMZFR-ZDUSSCGKSA-N 2 0 245.370 1.698 10 0 BDAERP CCC[NH2+]Cc1cnc(CC[NH+](C)C)s1 ZINC000082418194 169268868 /nfs/dbraw/zinc/26/88/68/169268868.db2.gz HBBIHLRZPXOTSS-UHFFFAOYSA-N 2 0 227.377 1.747 10 0 BDAERP CCC[NH2+]Cc1csc(CC[NH+](C)C)n1 ZINC000082688172 169269545 /nfs/dbraw/zinc/26/95/45/169269545.db2.gz ZSJTYRYXNXGEJP-UHFFFAOYSA-N 2 0 227.377 1.747 10 0 BDAERP CCC[NH2+][C@@H](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000104428131 169274125 /nfs/dbraw/zinc/27/41/25/169274125.db2.gz VGESJXBSXXQKFS-LBPRGKRZSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[NH2+][C@@H](C)CCN1CC[N@H+](C)C(C)(C)C1 ZINC000104127156 169274365 /nfs/dbraw/zinc/27/43/65/169274365.db2.gz JRTAFQGFZJGBGT-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@H]1CCC[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965332 169291802 /nfs/dbraw/zinc/29/18/02/169291802.db2.gz QQILBCFSXQFRNP-MELADBBJSA-N 2 0 239.407 1.543 10 0 BDAERP CCC[NH2+][C@H]1CCN([C@@H]2CCC[N@H+](CC)C2)C1 ZINC000049216660 169291996 /nfs/dbraw/zinc/29/19/96/169291996.db2.gz OIMHXEANWDZBSY-UONOGXRCSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@@H]1C[C@H](NC2=[NH+]CCS2)CC[N@@H+]1C ZINC000158710696 384127299 /nfs/dbraw/zinc/12/72/99/384127299.db2.gz LMCODEDACMHMAB-RKDXNWHRSA-N 2 0 213.350 1.162 10 0 BDAERP CCC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188736318 384203343 /nfs/dbraw/zinc/20/33/43/384203343.db2.gz KXLULBSGRILKJE-ZDUSSCGKSA-N 2 0 247.342 1.033 10 0 BDAERP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000300389961 384363859 /nfs/dbraw/zinc/36/38/59/384363859.db2.gz SPCMCDZZLVUHGU-WOPDTQHZSA-N 2 0 214.353 1.519 10 0 BDAERP Clc1ccc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000095069848 384334090 /nfs/dbraw/zinc/33/40/90/384334090.db2.gz FLWHOKOGXRXQBX-UHFFFAOYSA-N 2 0 239.750 1.824 10 0 BDAERP CC1CCC(C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000335626497 384403495 /nfs/dbraw/zinc/40/34/95/384403495.db2.gz QZHHQHZJHNWVKF-UHFFFAOYSA-N 2 0 240.391 1.598 10 0 BDAERP C[NH2+][C@H]1CCCN([C@@H]2CCCSC2)C1 ZINC000061590690 384520686 /nfs/dbraw/zinc/52/06/86/384520686.db2.gz ROTLVPOVCGAQPS-WDEREUQCSA-N 2 0 214.378 1.566 10 0 BDAERP CCc1ccc([C@@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729509 384532704 /nfs/dbraw/zinc/53/27/04/384532704.db2.gz DEJHKTFNBVZJIE-HNNXBMFYSA-N 2 0 248.370 1.706 10 0 BDAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])[C@H]1CCCO1 ZINC000011848805 384623851 /nfs/dbraw/zinc/62/38/51/384623851.db2.gz LFSUZAFAKHQISJ-CHWSQXEVSA-N 2 0 237.347 1.229 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2ccco2)CC1 ZINC000100267948 384628088 /nfs/dbraw/zinc/62/80/88/384628088.db2.gz MMRZAZCGNYKUMD-AOOOYVTPSA-N 2 0 222.288 1.322 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2nccnc2Cl)CC1 ZINC000100268001 384631050 /nfs/dbraw/zinc/63/10/50/384631050.db2.gz BSIBJKWSUJNKRV-DTORHVGOSA-N 2 0 240.738 1.490 10 0 BDAERP C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@H]1CC[NH2+]C1 ZINC000306574757 384784059 /nfs/dbraw/zinc/78/40/59/384784059.db2.gz IOLXXFCIYCGRPR-LPEHRKFASA-N 2 0 214.378 1.468 10 0 BDAERP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1F ZINC000258885524 384942905 /nfs/dbraw/zinc/94/29/05/384942905.db2.gz KSRSHICWDKABNI-GFCCVEGCSA-N 2 0 222.307 1.833 10 0 BDAERP CC(=O)CC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000154561227 385337353 /nfs/dbraw/zinc/33/73/53/385337353.db2.gz YPOWRYHWGJMKHP-CYBMUJFWSA-N 2 0 235.331 1.635 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000183100036 385508234 /nfs/dbraw/zinc/50/82/34/385508234.db2.gz HUJJEEFBVASECJ-AVGNSLFASA-N 2 0 226.364 1.628 10 0 BDAERP c1ccc(C[N@H+]2CC[C@@H](CNC3COC3)C2)cc1 ZINC000309652236 385770336 /nfs/dbraw/zinc/77/03/36/385770336.db2.gz HELXZTHLDZHVEA-AWEZNQCLSA-N 2 0 246.354 1.497 10 0 BDAERP CCN(CC[NH3+])c1cc[nH+]c(C)c1Cl ZINC000308645224 385832468 /nfs/dbraw/zinc/83/24/68/385832468.db2.gz GWIVSVGWQPYDNH-UHFFFAOYSA-N 2 0 213.712 1.828 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cc(O)ccc1Br ZINC000306834512 385864640 /nfs/dbraw/zinc/86/46/40/385864640.db2.gz PXHPEHWIZLMSIU-SECBINFHSA-N 2 0 245.120 1.503 10 0 BDAERP CC[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OC ZINC000308492669 386428234 /nfs/dbraw/zinc/42/82/34/386428234.db2.gz AKGOWLSFBBVFMC-GHMZBOCLSA-N 2 0 200.326 1.143 10 0 BDAERP CC[N@H+](CCN[C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000519698311 386528055 /nfs/dbraw/zinc/52/80/55/386528055.db2.gz IKQOQUDQGYUGMU-STQMWFEESA-N 2 0 239.407 1.448 10 0 BDAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000300387207 386592119 /nfs/dbraw/zinc/59/21/19/386592119.db2.gz PEJGGNSBLZWBIX-AGIUHOORSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]([NH3+])C2)CS1 ZINC000306895521 386532271 /nfs/dbraw/zinc/53/22/71/386532271.db2.gz MYAKUJJMFBMGIW-KYXWUPHJSA-N 2 0 200.351 1.350 10 0 BDAERP CC[N@H+](C)[C@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000302765628 386937157 /nfs/dbraw/zinc/93/71/57/386937157.db2.gz LKFVAVDGWRSSQO-LBPRGKRZSA-N 2 0 246.358 1.884 10 0 BDAERP [NH3+][C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575471501 387108118 /nfs/dbraw/zinc/10/81/18/387108118.db2.gz AJNRCPPSJUFWFV-CABCVRRESA-N 2 0 246.354 1.769 10 0 BDAERP COc1ccc([C@H]([NH3+])CCC[NH3+])cc1O ZINC000575439168 387121802 /nfs/dbraw/zinc/12/18/02/387121802.db2.gz WKNMMBRFQZPKIQ-SECBINFHSA-N 2 0 210.277 1.140 10 0 BDAERP CC(C)[C@H](C)[NH+]1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 ZINC000536955026 387167295 /nfs/dbraw/zinc/16/72/95/387167295.db2.gz OLUWZHNGYGQWGX-YNEHKIRRSA-N 2 0 210.365 1.962 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000575601544 387358878 /nfs/dbraw/zinc/35/88/78/387358878.db2.gz HKRGHGVKRMLJMQ-RWMBFGLXSA-N 2 0 225.380 1.330 10 0 BDAERP CC[C@H](C)[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643464303 387360892 /nfs/dbraw/zinc/36/08/92/387360892.db2.gz UOJSQUIPFZRCNF-MJBXVCDLSA-N 2 0 241.423 1.694 10 0 BDAERP [NH3+]CCc1cc(C[NH3+])cc(Cl)c1O ZINC000575602424 387371113 /nfs/dbraw/zinc/37/11/13/387371113.db2.gz OLECFTOVGSZGIA-UHFFFAOYSA-N 2 0 200.669 1.006 10 0 BDAERP CSCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400446247 387343905 /nfs/dbraw/zinc/34/39/05/387343905.db2.gz POZRCNJARQLBKX-VHSXEESVSA-N 2 0 202.367 1.327 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[NH2+]C1 ZINC000516016508 387446977 /nfs/dbraw/zinc/44/69/77/387446977.db2.gz DMGIMSWPQGQJDT-YVECIDJPSA-N 2 0 226.364 1.532 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CCC[NH2+]C1 ZINC000516016506 387448249 /nfs/dbraw/zinc/44/82/49/387448249.db2.gz DMGIMSWPQGQJDT-FVCCEPFGSA-N 2 0 226.364 1.532 10 0 BDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C1CSC1 ZINC000575546887 387633762 /nfs/dbraw/zinc/63/37/62/387633762.db2.gz WDJVCGYPVDDTAL-VIFPVBQESA-N 2 0 200.351 1.080 10 0 BDAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151335767 387823474 /nfs/dbraw/zinc/82/34/74/387823474.db2.gz WRJXXCWFZBAVHW-KGLIPLIRSA-N 2 0 240.391 1.611 10 0 BDAERP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)C ZINC000151310982 387815505 /nfs/dbraw/zinc/81/55/05/387815505.db2.gz NCCBSHUSJOYDCO-UONOGXRCSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)OC ZINC000643491489 387893130 /nfs/dbraw/zinc/89/31/30/387893130.db2.gz NBIZAHYWVGJOTL-JHJVBQTASA-N 2 0 228.380 1.779 10 0 BDAERP C[C@H]([NH2+]CC1(CO)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000643480620 387936548 /nfs/dbraw/zinc/93/65/48/387936548.db2.gz IBQXRAVOAAXYBA-NWDGAFQWSA-N 2 0 226.364 1.127 10 0 BDAERP Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)nc1 ZINC000423161263 387942980 /nfs/dbraw/zinc/94/29/80/387942980.db2.gz INKRFJZRKHXGFZ-QWHCGFSZSA-N 2 0 233.359 1.520 10 0 BDAERP C(CN1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000245697552 387973337 /nfs/dbraw/zinc/97/33/37/387973337.db2.gz WZFYMMCIGVUEMC-AWEZNQCLSA-N 2 0 237.391 1.252 10 0 BDAERP COCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336661362 388102247 /nfs/dbraw/zinc/10/22/47/388102247.db2.gz CBUSRTOBUSMZQS-NNYUYHANSA-N 2 0 212.337 1.081 10 0 BDAERP CCCCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000573082344 388419028 /nfs/dbraw/zinc/41/90/28/388419028.db2.gz RUMHNZWUZDGMAN-OLZOCXBDSA-N 2 0 228.380 1.781 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CC[NH2+]C1 ZINC000307227390 388422515 /nfs/dbraw/zinc/42/25/15/388422515.db2.gz DLKPQKAYOJNJCX-HBNTYKKESA-N 2 0 214.378 1.470 10 0 BDAERP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000307513246 388424810 /nfs/dbraw/zinc/42/48/10/388424810.db2.gz YSOWIHGUSLBKBL-GMTAPVOTSA-N 2 0 214.378 1.470 10 0 BDAERP CC(C)N1C[C@H](C)[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000245708387 388600956 /nfs/dbraw/zinc/60/09/56/388600956.db2.gz YSTANZRNDZXVRM-GXTWGEPZSA-N 2 0 238.375 1.651 10 0 BDAERP C[C@H]([NH2+]CC(C)(C)CCCO)[C@H]1CCC[NH2+]C1 ZINC000566091065 388986941 /nfs/dbraw/zinc/98/69/41/388986941.db2.gz YVNJCUPTJWSLPV-STQMWFEESA-N 2 0 242.407 1.763 10 0 BDAERP C[C@@H](NCC1([NH+](C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400515198 533360745 /nfs/dbraw/zinc/36/07/45/533360745.db2.gz KJGSXJWNPURUCF-VXGBXAGGSA-N 2 0 225.380 1.058 10 0 BDAERP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400332645 533499712 /nfs/dbraw/zinc/49/97/12/533499712.db2.gz FERAYDFBSGGPIR-GXTWGEPZSA-N 2 0 248.370 1.825 10 0 BDAERP C[C@@H](CC[NH+](C)C)N[C@@H]1CCC[NH2+]CC1 ZINC000168739193 134247831 /nfs/dbraw/zinc/24/78/31/134247831.db2.gz DLIRHVAOVDOZKZ-NWDGAFQWSA-N 3 0 213.369 1.058 10 0 BDAERP CC(C)[NH2+]CCN1CCC([NH+]2CCCC2)CC1 ZINC000191449351 134572398 /nfs/dbraw/zinc/57/23/98/134572398.db2.gz RCGPOLDEEIGIDK-UHFFFAOYSA-N 2 0 239.407 1.545 10 0 BDAERP C[N@H+](C[C@H](O)C(C)(C)C)C[C@@H]1CC[NH+](C)C1 ZINC000070823127 135012783 /nfs/dbraw/zinc/01/27/83/135012783.db2.gz QRFLDTMKYYXGQU-NEPJUHHUSA-N 2 0 228.380 1.277 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CC[NH2+]C1 ZINC000252092035 135083514 /nfs/dbraw/zinc/08/35/14/135083514.db2.gz DUSAGAPADCQHOE-STQMWFEESA-N 2 0 225.380 1.202 10 0 BDAERP CC1(C)C[N@H+](C[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261535935 135170651 /nfs/dbraw/zinc/17/06/51/135170651.db2.gz PSYRUYYZQBUXTL-MNOVXSKESA-N 2 0 212.337 1.082 10 0 BDAERP CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000261590925 135230878 /nfs/dbraw/zinc/23/08/78/135230878.db2.gz UVZHJOORZWTQGQ-NEPJUHHUSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@@]1(CN2CC[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929148 135263863 /nfs/dbraw/zinc/26/38/63/135263863.db2.gz CORDTRADEKJZMB-DGCLKSJQSA-N 2 0 225.380 1.045 10 0 BDAERP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262153480 135282332 /nfs/dbraw/zinc/28/23/32/135282332.db2.gz RODOOHVIFCIFTH-HUUCEWRRSA-N 2 0 248.370 1.480 10 0 BDAERP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262176362 135283694 /nfs/dbraw/zinc/28/36/94/135283694.db2.gz VZEHTXYUWAAMSS-NDBYEHHHSA-N 2 0 226.364 1.125 10 0 BDAERP CCC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263142405 135335725 /nfs/dbraw/zinc/33/57/25/135335725.db2.gz CLLOFFVUQYQCCC-PYNQCMFNSA-N 2 0 226.364 1.125 10 0 BDAERP CC1(C)CCC(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263150634 135335838 /nfs/dbraw/zinc/33/58/38/135335838.db2.gz DASDEVHILWRTJM-STQMWFEESA-N 2 0 240.391 1.373 10 0 BDAERP CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000263205609 135339137 /nfs/dbraw/zinc/33/91/37/135339137.db2.gz JQDFDNOIJXMAQX-ZOBORPQBSA-N 2 0 240.391 1.373 10 0 BDAERP CC(C)C1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263315534 135346085 /nfs/dbraw/zinc/34/60/85/135346085.db2.gz ZKGRMLJQJPBJRM-HHTDUIENSA-N 2 0 240.391 1.371 10 0 BDAERP C[C@H](O)[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000166116555 136073967 /nfs/dbraw/zinc/07/39/67/136073967.db2.gz SETXOWGPMPTXDC-QWHCGFSZSA-N 2 0 226.364 1.175 10 0 BDAERP CC(C)[C@@H]([NH3+])CN1CCCSCC1 ZINC000042444878 398015694 /nfs/dbraw/zinc/01/56/94/398015694.db2.gz TXWCIAFSQVRKLS-JTQLQIEISA-N 2 0 202.367 1.409 10 0 BDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H](O)C1 ZINC000389649817 398117408 /nfs/dbraw/zinc/11/74/08/398117408.db2.gz VIEWKZBLKMUBCT-WOPDTQHZSA-N 2 0 214.353 1.397 10 0 BDAERP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H]1CO ZINC000051254897 167003847 /nfs/dbraw/zinc/00/38/47/167003847.db2.gz PDAMWORFFSFFCC-ZDUSSCGKSA-N 2 0 242.407 1.715 10 0 BDAERP CC(C)OCC[N@@H+]1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000053656611 167230533 /nfs/dbraw/zinc/23/05/33/167230533.db2.gz WLZXDPMVWUHWDB-CYBMUJFWSA-N 2 0 240.391 1.875 10 0 BDAERP CC[NH+](CC)CCN(C)Cc1ccc(C[NH3+])cc1 ZINC000037758020 169776850 /nfs/dbraw/zinc/77/68/50/169776850.db2.gz WVZRXYHYBZPXAY-UHFFFAOYSA-N 2 0 249.402 1.919 10 0 BDAERP CC(C)[NH2+]CCNCCC[NH+]1CCCC1 ZINC000049478688 167107828 /nfs/dbraw/zinc/10/78/28/167107828.db2.gz WIAPWUQMXMQVIL-UHFFFAOYSA-N 2 0 213.369 1.060 10 0 BDAERP CC(C)[NH2+]C[C@H](C)CN(C)CC[NH+]1CCCC1 ZINC000063054201 167113027 /nfs/dbraw/zinc/11/30/27/167113027.db2.gz GQXQTPOYGBFKBT-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)[NH2+]C[C@H](C)OC1CC[NH+](C)CC1 ZINC000052596499 167114061 /nfs/dbraw/zinc/11/40/61/167114061.db2.gz MHRWMIWXIQDLJH-NSHDSACASA-N 2 0 214.353 1.484 10 0 BDAERP CC1CC[NH+](CCNCCC[NH+](C)C)CC1 ZINC000041248847 168180765 /nfs/dbraw/zinc/18/07/65/168180765.db2.gz GLYWWIDWUAOZBZ-UHFFFAOYSA-N 2 0 227.396 1.260 10 0 BDAERP CC1CCN([C@@]2(C[NH3+])CC[N@@H+](C3CC3)C2)CC1 ZINC000061989991 168186925 /nfs/dbraw/zinc/18/69/25/168186925.db2.gz WERWPKIPKDOBAW-CQSZACIVSA-N 2 0 237.391 1.284 10 0 BDAERP C[NH+](C)CCC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659854224 411478437 /nfs/dbraw/zinc/47/84/37/411478437.db2.gz YRTVYUCTZPYTRM-ZIAGYGMSSA-N 2 0 240.391 1.564 10 0 BDAERP CC[N@@H+]1CC[C@@H](CNC2=[NH+]CCCS2)C1 ZINC000037484490 170008207 /nfs/dbraw/zinc/00/82/07/170008207.db2.gz DVUBUEBHAOAJBF-JTQLQIEISA-N 2 0 227.377 1.411 10 0 BDAERP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](C)CC2)C1 ZINC000309986104 170037005 /nfs/dbraw/zinc/03/70/05/170037005.db2.gz YHPQBIKCNDFTJL-WCQYABFASA-N 2 0 225.380 1.010 10 0 BDAERP CC[NH2+]CCCCC[N@@H+]1CCN(C)[C@@H](CC)C1 ZINC000104126301 170111888 /nfs/dbraw/zinc/11/18/88/170111888.db2.gz AXFRQBOVFLESKQ-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CC[NH2+]CCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973424 170112392 /nfs/dbraw/zinc/11/23/92/170112392.db2.gz MRRFVMNOXJANFA-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP CC[NH2+]CCCN(CC)CCC[NH2+]CC ZINC000031351905 170112573 /nfs/dbraw/zinc/11/25/73/170112573.db2.gz WGMLAJNLNAEBAH-UHFFFAOYSA-N 2 0 215.385 1.308 10 0 BDAERP CC[NH2+]CCC[C@H](C)[N@@H+]1CCN(CC)[C@H](C)C1 ZINC000104140293 170113051 /nfs/dbraw/zinc/11/30/51/170113051.db2.gz CLQCEBACEHOJRF-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@@H](C)C[N@H+](C)[C@@H]1CCSC1 ZINC000052453088 170118711 /nfs/dbraw/zinc/11/87/11/170118711.db2.gz JOHYVQVDELAIGX-GHMZBOCLSA-N 2 0 216.394 1.669 10 0 BDAERP CC[NH2+]C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000053033596 170119754 /nfs/dbraw/zinc/11/97/54/170119754.db2.gz QMQGBVIYIFIABQ-AWEZNQCLSA-N 3 0 239.407 1.260 10 0 BDAERP CC[NH2+]C[C@@H]1CCCCN1CC[NH+](C)C ZINC000053650776 170120080 /nfs/dbraw/zinc/12/00/80/170120080.db2.gz WVXWPAYTYFNVFJ-LBPRGKRZSA-N 2 0 213.369 1.012 10 0 BDAERP CC[NH2+]C[C@H](C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000082485189 170122133 /nfs/dbraw/zinc/12/21/33/170122133.db2.gz FALKZLXNFVXZAZ-LBPRGKRZSA-N 2 0 227.396 1.258 10 0 BDAERP CC[NH2+][C@H](C)[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079191 170158439 /nfs/dbraw/zinc/15/84/39/170158439.db2.gz HQBDNAVHWCVYEK-ZIAGYGMSSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810840 170165849 /nfs/dbraw/zinc/16/58/49/170165849.db2.gz UQPBQQAIGFDXCE-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP CCOCC[N@H+](CC)Cc1occc1C[NH3+] ZINC000082538145 170396042 /nfs/dbraw/zinc/39/60/42/170396042.db2.gz OYAPFHKUFHQFMC-UHFFFAOYSA-N 2 0 226.320 1.597 10 0 BDAERP CCOCC[N@@H+]1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC000053657929 170397479 /nfs/dbraw/zinc/39/74/79/170397479.db2.gz QBZUYPYWYCPOAA-AWEZNQCLSA-N 2 0 242.407 1.981 10 0 BDAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000125906561 171040314 /nfs/dbraw/zinc/04/03/14/171040314.db2.gz ZSOUAFFJEKRSGO-UPJWGTAASA-N 2 0 228.380 1.467 10 0 BDAERP CC[C@@H]1CN(CCC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000083089075 171080944 /nfs/dbraw/zinc/08/09/44/171080944.db2.gz NCADSRSAYIGZJB-VXGBXAGGSA-N 2 0 213.369 1.010 10 0 BDAERP CC[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000104144231 171082699 /nfs/dbraw/zinc/08/26/99/171082699.db2.gz XYROLLUXZHRBHW-UONOGXRCSA-N 2 0 239.407 1.545 10 0 BDAERP CC[C@@](C)(C[NH3+])C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934211 171166708 /nfs/dbraw/zinc/16/67/08/171166708.db2.gz JFRDXUCEWNIZSW-NEPJUHHUSA-N 2 0 214.353 1.472 10 0 BDAERP CC[C@@](C)(C[NH2+]C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763319 171167257 /nfs/dbraw/zinc/16/72/57/171167257.db2.gz ZZLZISZZWVKPSX-KGLIPLIRSA-N 2 0 242.407 1.859 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000055066824 171318855 /nfs/dbraw/zinc/31/88/55/171318855.db2.gz DOHHJNPVDPVRIO-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP CC[C@@H]([NH2+]C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000662493899 412193989 /nfs/dbraw/zinc/19/39/89/412193989.db2.gz SXFUDOYHYHOIQB-VXGBXAGGSA-N 2 0 243.395 1.077 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@H]1CCC[C@H]2C[C@H]21 ZINC000665263401 412205636 /nfs/dbraw/zinc/20/56/36/412205636.db2.gz LSZZCEDEHGNAGK-DMDPSCGWSA-N 2 0 208.349 1.764 10 0 BDAERP C[C@@H]([NH2+]CCc1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000665263506 412207217 /nfs/dbraw/zinc/20/72/17/412207217.db2.gz NPEWZSQROQEMNO-DGCLKSJQSA-N 2 0 222.332 1.800 10 0 BDAERP CO[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000665276159 412219504 /nfs/dbraw/zinc/21/95/04/412219504.db2.gz ZKMWSFYBJDILEC-KGLIPLIRSA-N 2 0 240.391 1.923 10 0 BDAERP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623406 412246095 /nfs/dbraw/zinc/24/60/95/412246095.db2.gz XRVDLKJHCYOAEI-MNOVXSKESA-N 2 0 241.379 1.103 10 0 BDAERP CCn1cc[nH+]c1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050614401 172227774 /nfs/dbraw/zinc/22/77/74/172227774.db2.gz HBXREEAZAVCBRI-QWRGUYRKSA-N 2 0 222.336 1.703 10 0 BDAERP CCn1cc[nH+]c1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000050614376 172228269 /nfs/dbraw/zinc/22/82/69/172228269.db2.gz KTBDKVSREVTKDA-VHSXEESVSA-N 2 0 208.309 1.585 10 0 BDAERP C[NH+](C)[C@@H](CC[NH3+])COc1ccc(F)cc1 ZINC000020401477 172518909 /nfs/dbraw/zinc/51/89/09/172518909.db2.gz NRNZSIQMINTRJZ-NSHDSACASA-N 2 0 226.295 1.484 10 0 BDAERP C[NH+]1CCC(C[NH+]2CCC[NH2+]CCC2)CC1 ZINC000044526829 172985471 /nfs/dbraw/zinc/98/54/71/172985471.db2.gz ZGOGRGOKHLYYDB-UHFFFAOYSA-N 3 0 225.380 1.014 10 0 BDAERP C[NH+]1CCC([C@@H]([NH3+])c2ccccn2)CC1 ZINC000077299181 173000245 /nfs/dbraw/zinc/00/02/45/173000245.db2.gz AXBMKXMHLHZHPA-GFCCVEGCSA-N 2 0 205.305 1.423 10 0 BDAERP C[NH+](C)C(C)(C)CNCC[C@H]1CCCC[N@@H+]1C ZINC000049856310 173005301 /nfs/dbraw/zinc/00/53/01/173005301.db2.gz PXJDLSCONJYKLF-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CNC1=[NH+]C(C)(C)CS1 ZINC000044563799 173009076 /nfs/dbraw/zinc/00/90/76/173009076.db2.gz LQQWRSNSWYNKJU-JTQLQIEISA-N 2 0 241.404 1.942 10 0 BDAERP C[N@@H+]1CCCN(CC[NH2+]CC2CCCC2)CC1 ZINC000053344922 173014622 /nfs/dbraw/zinc/01/46/22/173014622.db2.gz MDWWKHCLMRSUKL-UHFFFAOYSA-N 2 0 239.407 1.404 10 0 BDAERP C[N@@H+]1CCCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000020593524 173014883 /nfs/dbraw/zinc/01/48/83/173014883.db2.gz WBYPICAMVHACFI-ZDUSSCGKSA-N 2 0 225.380 1.156 10 0 BDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])CC(C)(C)C)CC1 ZINC000061839713 173016972 /nfs/dbraw/zinc/01/69/72/173016972.db2.gz CQGVXVHZOYDTLK-GFCCVEGCSA-N 2 0 227.396 1.387 10 0 BDAERP C[N@@H+]1CCC[C@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000044538312 173040453 /nfs/dbraw/zinc/04/04/53/173040453.db2.gz GIEIVAPKCRLMOR-SNVBAGLBSA-N 2 0 241.404 1.799 10 0 BDAERP Cn1cc[nH+]c1NC[C@H]1CCC[N@H+](C)C1 ZINC000050606567 173040896 /nfs/dbraw/zinc/04/08/96/173040896.db2.gz AXECLOGKBTZAFQ-SNVBAGLBSA-N 2 0 208.309 1.174 10 0 BDAERP C[N@@H+]1CCC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000044538294 173041256 /nfs/dbraw/zinc/04/12/56/173041256.db2.gz FXPQYMINNYZHQK-SNVBAGLBSA-N 2 0 227.377 1.411 10 0 BDAERP CN([C@@H](C[NH3+])C1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000053206119 173045180 /nfs/dbraw/zinc/04/51/80/173045180.db2.gz DABJXFDEKCZSLM-KBPBESRZSA-N 2 0 239.407 1.530 10 0 BDAERP C[N@@H+]1CCC[C@H](n2c(N)[nH+]c3ccccc32)C1 ZINC000042278782 173047881 /nfs/dbraw/zinc/04/78/81/173047881.db2.gz JYAQQOFYPPCGRV-JTQLQIEISA-N 2 0 230.315 1.885 10 0 BDAERP C[NH+]1CCC[C@H]1CC(=O)C[C@@H]1CCC[N@H+]1C ZINC000004097178 173051168 /nfs/dbraw/zinc/05/11/68/173051168.db2.gz ZEBIACKKLGVLFZ-RYUDHWBXSA-N 2 0 224.348 1.524 10 0 endogenous,in-man BDAERP C[NH+]1CCN(Cc2ccoc2C[NH2+]C2CC2)CC1 ZINC000052379356 173090491 /nfs/dbraw/zinc/09/04/91/173090491.db2.gz IRWPNKDXTYPYOQ-UHFFFAOYSA-N 2 0 249.358 1.279 10 0 BDAERP CN(C[C@@H](O)c1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000221350134 173113144 /nfs/dbraw/zinc/11/31/44/173113144.db2.gz GSMUOOFCEJQIFU-UKRRQHHQSA-N 2 0 248.370 1.604 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000037485048 173147054 /nfs/dbraw/zinc/14/70/54/173147054.db2.gz BUMDEJUMPGGHFY-NEPJUHHUSA-N 2 0 212.337 1.097 10 0 BDAERP C[N@@H+]1CC[C@H](NCC[C@@H]2CCCC[NH+]2C)C1 ZINC000052205873 173151538 /nfs/dbraw/zinc/15/15/38/173151538.db2.gz GBUSRENRHXZMSQ-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP C[NH2+]C1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000044562902 173323456 /nfs/dbraw/zinc/32/34/56/173323456.db2.gz UFURHYQJALCFLY-ZDUSSCGKSA-N 2 0 225.380 1.155 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182207 173337454 /nfs/dbraw/zinc/33/74/54/173337454.db2.gz FVUWHMIHOPMHJL-LBPRGKRZSA-N 2 0 226.364 1.344 10 0 BDAERP C[NH2+]C[C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000052419078 173363868 /nfs/dbraw/zinc/36/38/68/173363868.db2.gz FBLWJIVECGJTNV-GFCCVEGCSA-N 2 0 218.344 1.900 10 0 BDAERP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000051212133 173373328 /nfs/dbraw/zinc/37/33/28/173373328.db2.gz MLXGSLUKVVWEAN-OAHLLOKOSA-N 2 0 248.370 1.745 10 0 BDAERP C[NH2+]C[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000042033828 173376044 /nfs/dbraw/zinc/37/60/44/173376044.db2.gz ONXDKCOKNLYFQJ-LBPRGKRZSA-N 2 0 216.369 1.181 10 0 BDAERP C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000164784066 173378770 /nfs/dbraw/zinc/37/87/70/173378770.db2.gz YOCQJDXLPANCBZ-PWSUYJOCSA-N 2 0 222.336 1.022 10 0 BDAERP C[NH2+]Cc1cc(C[NH+]2CCCC2)c(C)o1 ZINC000052377581 173386626 /nfs/dbraw/zinc/38/66/26/173386626.db2.gz PNKIBVIRANZLOK-UHFFFAOYSA-N 2 0 208.305 1.903 10 0 BDAERP COCCC[N@H+](CCCCCC[NH3+])CCOC ZINC000042425412 174222185 /nfs/dbraw/zinc/22/21/85/174222185.db2.gz WKVNPANTJRTTFG-UHFFFAOYSA-N 2 0 246.395 1.490 10 0 BDAERP COCCCN(CCOC)C[C@@H]([NH3+])C(C)(C)C ZINC000042421788 174224549 /nfs/dbraw/zinc/22/45/49/174224549.db2.gz IUADEEJUZFLUQP-GFCCVEGCSA-N 2 0 246.395 1.345 10 0 BDAERP COCC[N@H+](C)C[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053971835 174279826 /nfs/dbraw/zinc/27/98/26/174279826.db2.gz PHBRIUHVNBYQGQ-JSGCOSHPSA-N 2 0 236.359 1.901 10 0 BDAERP COCC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)C1CC1 ZINC000042689329 174289153 /nfs/dbraw/zinc/28/91/53/174289153.db2.gz OQIPAPOWUQKFNJ-LBPRGKRZSA-N 2 0 240.391 1.733 10 0 BDAERP COCC[N@H+](CCCCC(N)=[NH2+])[C@H](C)C1CC1 ZINC000042680013 174291021 /nfs/dbraw/zinc/29/10/21/174291021.db2.gz HLWBASBOZAUIHE-LLVKDONJSA-N 2 0 241.379 1.840 10 0 BDAERP COCC[NH+](CCCCCC[NH3+])CCOC ZINC000004226791 174291063 /nfs/dbraw/zinc/29/10/63/174291063.db2.gz MTRPPVPTJVSYCX-UHFFFAOYSA-N 2 0 232.368 1.100 10 0 BDAERP COCC[N@H+]([C@@H](C)C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042614424 174301987 /nfs/dbraw/zinc/30/19/87/174301987.db2.gz MOEAILRIQYRNIK-IACUBPJLSA-N 2 0 240.391 1.861 10 0 BDAERP COCC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000020047931 174332741 /nfs/dbraw/zinc/33/27/41/174332741.db2.gz QLAJUIWPUUGMPE-GFCCVEGCSA-N 2 0 214.353 1.487 10 0 BDAERP COCC[NH2+]Cc1ccccc1C[NH+](C)C ZINC000045206628 174336078 /nfs/dbraw/zinc/33/60/78/174336078.db2.gz XUXIVWXUAACONL-UHFFFAOYSA-N 2 0 222.332 1.484 10 0 BDAERP COc1ccc(CC[NH3+])cc1OCC[NH+](C)C ZINC000011887512 175090323 /nfs/dbraw/zinc/09/03/23/175090323.db2.gz DIXFQQUWXQZXFJ-UHFFFAOYSA-N 2 0 238.331 1.137 10 0 BDAERP COc1cccc(CC[NH2+]CCC[NH+](C)C)c1 ZINC000103269922 175253108 /nfs/dbraw/zinc/25/31/08/175253108.db2.gz MWWUDWKRYLZHNJ-UHFFFAOYSA-N 2 0 236.359 1.779 10 0 BDAERP COc1ccccc1C[C@H](C[NH3+])C[NH+]1CCCC1 ZINC000011800175 175334168 /nfs/dbraw/zinc/33/41/68/175334168.db2.gz KSKRIOFBSSLSAL-CYBMUJFWSA-N 2 0 248.370 1.908 10 0 BDAERP C[C@@H](Cn1c(N)[nH+]c2ccccc21)[NH+](C)C ZINC000045108619 175778578 /nfs/dbraw/zinc/77/85/78/175778578.db2.gz VJDWBHNFMLFDHK-VIFPVBQESA-N 2 0 218.304 1.569 10 0 BDAERP C[C@@H]([C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000023067592 176011268 /nfs/dbraw/zinc/01/12/68/176011268.db2.gz DAUIOMAYSRHNCU-GXTWGEPZSA-N 2 0 233.359 1.322 10 0 BDAERP C[C@@H](c1cnccn1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010855 176035413 /nfs/dbraw/zinc/03/54/13/176035413.db2.gz KSWDIRNDULNFOB-NSHDSACASA-N 2 0 234.347 1.469 10 0 BDAERP C[C@@H](c1nccs1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095068238 176039046 /nfs/dbraw/zinc/03/90/46/176039046.db2.gz QIPBCQADTVKWCS-VHSXEESVSA-N 2 0 225.361 1.745 10 0 BDAERP C[C@@H]1CCC[N@H+](CC2(O)CC[NH2+]CC2)[C@@H]1C ZINC000051016413 176096096 /nfs/dbraw/zinc/09/60/96/176096096.db2.gz NXPHAQDNDRVNNJ-VXGBXAGGSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCN(C)[C@H](C)C2)C1 ZINC000104141703 176229464 /nfs/dbraw/zinc/22/94/64/176229464.db2.gz UYQMIQGFIXGAPH-MQYQWHSLSA-N 2 0 239.407 1.386 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C2CCN(C)CC2)C1 ZINC000049665948 176328798 /nfs/dbraw/zinc/32/87/98/176328798.db2.gz OBFAMWTUKLPPTM-CHWSQXEVSA-N 2 0 239.407 1.258 10 0 BDAERP C[C@@H]1C[C@@H](C)C[NH+](CC2(C[NH3+])CCOCC2)C1 ZINC000052180579 176360627 /nfs/dbraw/zinc/36/06/27/176360627.db2.gz UVNLZVLPQNIUCR-CHWSQXEVSA-N 2 0 240.391 1.720 10 0 BDAERP C[C@H]([NH2+]CCN1CC[NH+](C)CC1)C1CCCC1 ZINC000054080532 176848658 /nfs/dbraw/zinc/84/86/58/176848658.db2.gz FXBGBXUNVOVMJM-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037910040 177109788 /nfs/dbraw/zinc/10/97/88/177109788.db2.gz NUHGJMUAYVZTQE-NSHDSACASA-N 2 0 247.342 1.568 10 0 BDAERP C[C@H]1CC[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000049666539 177162360 /nfs/dbraw/zinc/16/23/60/177162360.db2.gz HIJLZBABGYHYBQ-ZDUSSCGKSA-N 2 0 233.359 1.698 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](Cc2ccncc2)C1 ZINC000049666624 177285678 /nfs/dbraw/zinc/28/56/78/177285678.db2.gz SMDSWWCRVNJVQB-STQMWFEESA-N 2 0 233.359 1.759 10 0 BDAERP C[C@H]1C[NH2+]C[C@@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000104214955 177285927 /nfs/dbraw/zinc/28/59/27/177285927.db2.gz SYNADQUOVXWYMA-GXTWGEPZSA-N 3 0 239.407 1.116 10 0 BDAERP C[C@H]1CSC(NC[C@@H]2CCCC[N@@H+]2C)=[NH+]1 ZINC000044563816 177303431 /nfs/dbraw/zinc/30/34/31/177303431.db2.gz IKZPIZBEQFMYEH-UWVGGRQHSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccccn1 ZINC000049712388 177326967 /nfs/dbraw/zinc/32/69/67/177326967.db2.gz QKEDKEILPSHPDK-RYUDHWBXSA-N 2 0 219.332 1.436 10 0 BDAERP Cc1c(C[NH2+]CCCC[NH+](C)C)cnn1C ZINC000086552043 177590455 /nfs/dbraw/zinc/59/04/55/177590455.db2.gz HHVHEXANKWRRAK-UHFFFAOYSA-N 2 0 224.352 1.160 10 0 BDAERP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361767 225097773 /nfs/dbraw/zinc/09/77/73/225097773.db2.gz QHEDAYRDLOOGHW-MCIONIFRSA-N 2 0 239.407 1.448 10 0 BDAERP CSCCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400599173 226347645 /nfs/dbraw/zinc/34/76/45/226347645.db2.gz WIFWJFKXPKFGPY-GHMZBOCLSA-N 2 0 216.394 1.717 10 0 BDAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@@H+]2C)C1 ZINC000225888563 487654341 /nfs/dbraw/zinc/65/43/41/487654341.db2.gz SBBPJDVSPAYOAG-KBPBESRZSA-N 2 0 239.407 1.543 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000251089318 487748452 /nfs/dbraw/zinc/74/84/52/487748452.db2.gz IBSRATGDTRWXRI-RVMXOQNASA-N 2 0 226.364 1.397 10 0 BDAERP Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000415108327 487809808 /nfs/dbraw/zinc/80/98/08/487809808.db2.gz PWQZQVGFHDRREY-STQMWFEESA-N 2 0 233.359 1.520 10 0 BDAERP C[C@H](CO)CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562959452 323035324 /nfs/dbraw/zinc/03/53/24/323035324.db2.gz QFKGYGCSPYZGQY-AVGNSLFASA-N 2 0 228.380 1.373 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569684501 323036833 /nfs/dbraw/zinc/03/68/33/323036833.db2.gz GWMBBIBUZAYBJV-MCIONIFRSA-N 2 0 241.423 1.693 10 0 BDAERP C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000568381603 326351584 /nfs/dbraw/zinc/35/15/84/326351584.db2.gz VDMYVONNEHDCLB-IUCAKERBSA-N 2 0 224.270 1.917 10 0 BDAERP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000568618524 326367620 /nfs/dbraw/zinc/36/76/20/326367620.db2.gz KTKISMTVBFQRPO-NEPJUHHUSA-N 2 0 222.332 1.718 10 0 BDAERP CCC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400756221 487987469 /nfs/dbraw/zinc/98/74/69/487987469.db2.gz XAMYSXOPQAWTNH-UPJWGTAASA-N 2 0 225.380 1.058 10 0 BDAERP CCN1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142400 488079912 /nfs/dbraw/zinc/07/99/12/488079912.db2.gz HLXFLALDWIGOBT-JSGCOSHPSA-N 3 0 239.407 1.401 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000129981626 490528955 /nfs/dbraw/zinc/52/89/55/490528955.db2.gz SCBWFNQMDBHHAJ-UPJWGTAASA-N 2 0 226.364 1.628 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000127996679 490567600 /nfs/dbraw/zinc/56/76/00/490567600.db2.gz XSNCLKOMIIAARE-RDBSUJKOSA-N 2 0 238.375 1.772 10 0 BDAERP CCN1C[C@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000307319029 490659067 /nfs/dbraw/zinc/65/90/67/490659067.db2.gz MYBYQALXHASISD-WCBMZHEXSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)C1CC[NH+](C)CC1 ZINC000134241561 491162560 /nfs/dbraw/zinc/16/25/60/491162560.db2.gz KAAWUMHFQVLDKA-GMXVVIOVSA-N 2 0 226.364 1.484 10 0 BDAERP C[C@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CCCF)C1 ZINC000757131029 582505823 /nfs/dbraw/zinc/50/58/23/582505823.db2.gz OYCHGJSXRCGDTB-NEPJUHHUSA-N 2 0 214.328 1.810 10 0 BDAERP CC(C)[C@H]1C[NH2+][C@]2(CCC[N@H+](C)CC2)OC1 ZINC000757145971 582528836 /nfs/dbraw/zinc/52/88/36/582528836.db2.gz JIHZPMPECKMTLY-QWHCGFSZSA-N 2 0 226.364 1.690 10 0 BDAERP CC[C@@]1(C)CCO[C@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757146342 582529622 /nfs/dbraw/zinc/52/96/22/582529622.db2.gz KOOCTDPSEOUFND-STQMWFEESA-N 2 0 226.364 1.977 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757148894 582532847 /nfs/dbraw/zinc/53/28/47/582532847.db2.gz VXGAIEHOKOACTK-CHWSQXEVSA-N 2 0 224.348 1.587 10 0 BDAERP C[C@H](NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400318152 533855012 /nfs/dbraw/zinc/85/50/12/533855012.db2.gz AULDSAYYCLLPOH-STQMWFEESA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400560219 533900683 /nfs/dbraw/zinc/90/06/83/533900683.db2.gz HOZHGRVIBKGHKH-QJPTWQEYSA-N 2 0 228.380 1.371 10 0 BDAERP CS[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400466437 534060195 /nfs/dbraw/zinc/06/01/95/534060195.db2.gz WDQDFRSBTLUILK-OPRDCNLKSA-N 2 0 202.367 1.326 10 0 BDAERP CCC[N@H+](CC)CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400400788 527979918 /nfs/dbraw/zinc/97/99/18/527979918.db2.gz PTSFGRLWNBWDJY-STQMWFEESA-N 2 0 227.396 1.306 10 0 BDAERP CCC(O)(CC)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400336795 528976306 /nfs/dbraw/zinc/97/63/06/528976306.db2.gz DNUXVMHXSBENIX-MNOVXSKESA-N 2 0 214.353 1.125 10 0 BDAERP CCSCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400509335 529178258 /nfs/dbraw/zinc/17/82/58/529178258.db2.gz ITSVFCZNSQHBOU-WDEREUQCSA-N 2 0 216.394 1.717 10 0 BDAERP COC[C@@H](C)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757125549 582500909 /nfs/dbraw/zinc/50/09/09/582500909.db2.gz DZJACDSPBHPFAK-LLVKDONJSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CCCF)C1 ZINC000757131054 582505990 /nfs/dbraw/zinc/50/59/90/582505990.db2.gz OYCHGJSXRCGDTB-VXGBXAGGSA-N 2 0 214.328 1.810 10 0 BDAERP COC[C@@H](C)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000757134148 582510173 /nfs/dbraw/zinc/51/01/73/582510173.db2.gz KQHHRJIHZVBRSZ-RYUDHWBXSA-N 2 0 212.337 1.097 10 0 BDAERP C1CC1[C@H]1C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1 ZINC000757150266 582534307 /nfs/dbraw/zinc/53/43/07/582534307.db2.gz QMNQEHABWXGNFL-LBPRGKRZSA-N 2 0 236.359 1.587 10 0 BDAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1ccc(C=O)s1 ZINC000757220337 582563144 /nfs/dbraw/zinc/56/31/44/582563144.db2.gz YUEQTPRTMIRMTF-GZMMTYOYSA-N 2 0 224.329 1.560 10 0 BDAERP NC[C@@H]1CC[C@H](c2cccc(C=O)c2)C[NH2+]1 ZINC000757210998 586437352 /nfs/dbraw/zinc/43/73/52/586437352.db2.gz FFFJNVOMLVBTQG-STQMWFEESA-N 2 0 218.300 1.293 10 0 BDAERP Nc1ccc([C@H]2CCC[NH2+]C2)c2c1C[NH2+]CC2 ZINC000757209335 586438200 /nfs/dbraw/zinc/43/82/00/586438200.db2.gz DQCPEBQGAVLMDH-JTQLQIEISA-N 2 0 231.343 1.382 10 0 BDAERP C[C@@H]1CN[C@H](c2cccc(C[NH3+])c2)[C@H]([NH3+])C1 ZINC000757213604 586439935 /nfs/dbraw/zinc/43/99/35/586439935.db2.gz LCZIXMTWAXAYFZ-ZWKOPEQDSA-N 2 0 219.332 1.143 10 0 BDAERP CC(=O)c1ccc([C@@H]2C[NH2+]C[C@@H](C[NH3+])C2)cc1 ZINC000757214180 586440482 /nfs/dbraw/zinc/44/04/82/586440482.db2.gz LNCOSNKVFZMPIU-RISCZKNCSA-N 2 0 232.327 1.541 10 0 BDAERP Nc1cccc([C@H]2[NH2+]CCC[C@H]2C[NH3+])c1 ZINC000757215381 586440871 /nfs/dbraw/zinc/44/08/71/586440871.db2.gz NIFAOGOMKGNTLC-CMPLNLGQSA-N 2 0 205.305 1.268 10 0 BDAERP [NH3+]Cc1ccc([C@@H]2CC[C@H](C[NH3+])C[NH2+]2)cc1 ZINC000757217774 586441496 /nfs/dbraw/zinc/44/14/96/586441496.db2.gz SGZORAKFPPYCQD-YPMHNXCESA-N 3 0 219.332 1.145 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@H]1c1cccc(C[NH3+])c1 ZINC000757217677 586441737 /nfs/dbraw/zinc/44/17/37/586441737.db2.gz RXMXFRJMEWWYRU-ZWNOBZJWSA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1CC[C@H]([NH3+])[C@H](c2cccc(C[NH3+])c2)N1 ZINC000757218241 586441810 /nfs/dbraw/zinc/44/18/10/586441810.db2.gz UQSHEGCIWVNPGJ-ICCXJUOJSA-N 2 0 219.332 1.286 10 0 BDAERP [NH3+]C[C@H]1CC[NH2+][C@@H](c2ccc(C=O)s2)C1 ZINC000757218139 586441893 /nfs/dbraw/zinc/44/18/93/586441893.db2.gz UCXXZXRPNIWGCD-WCBMZHEXSA-N 2 0 224.329 1.560 10 0 BDAERP N[C@H]1C[NH2+]CC[C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757232737 586443333 /nfs/dbraw/zinc/44/33/33/586443333.db2.gz JIGQPUZJHSRLMD-CABCVRRESA-N 2 0 245.370 1.427 10 0 BDAERP CC(C)(C)n1cc([C@@H]2CC[C@H](C[NH3+])C[NH2+]2)cn1 ZINC000757236582 586443688 /nfs/dbraw/zinc/44/36/88/586443688.db2.gz OPIBWDZKVUSRQL-PWSUYJOCSA-N 2 0 236.363 1.638 10 0 BDAERP [NH3+]Cc1cc([C@@H]2CC[C@@H]([NH3+])CN2)ccc1C1CC1 ZINC000757238180 586443785 /nfs/dbraw/zinc/44/37/85/586443785.db2.gz RQFQDJHTIWGZGP-HIFRSBDPSA-N 2 0 245.370 1.775 10 0 BDAERP CC(C)(C)n1cc([C@H]2CC[C@@H](C[NH3+])C[NH2+]2)cn1 ZINC000757236474 586443857 /nfs/dbraw/zinc/44/38/57/586443857.db2.gz OPIBWDZKVUSRQL-CMPLNLGQSA-N 2 0 236.363 1.638 10 0 BDAERP N[C@@H]1C[NH2+]CC[C@@H]1c1cc(F)ccc1F ZINC000213184110 631251249 /nfs/dbraw/zinc/25/12/49/631251249.db2.gz KHTNUQUUIXYWKJ-LDYMZIIASA-N 2 0 212.243 1.369 10 0 BDAERP CC[NH2+]CC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000053658933 634289441 /nfs/dbraw/zinc/28/94/41/634289441.db2.gz ZIVVVEJQAPJCSS-ZDUSSCGKSA-N 2 0 226.364 1.487 10 0 BDAERP C[N@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000226465464 640767728 /nfs/dbraw/zinc/76/77/28/640767728.db2.gz SGFXABUPMGPPBT-HUUCEWRRSA-N 2 0 248.370 1.794 10 0 BDAERP CSC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000229086346 640921160 /nfs/dbraw/zinc/92/11/60/640921160.db2.gz ISLHFSVZVBAUSP-JTQLQIEISA-N 2 0 216.394 1.860 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1[NH2+]CCC[C@@H]1C[NH3+] ZINC000757236368 643373844 /nfs/dbraw/zinc/37/38/44/643373844.db2.gz OJKAUUDKDVIIHE-ZWNOBZJWSA-N 2 0 219.332 1.577 10 0 BDAERP C[C@H]1CN(CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000708852859 712201400 /nfs/dbraw/zinc/20/14/00/712201400.db2.gz CAIBKAPQHIYBOC-YUMQZZPRSA-N 2 0 223.147 1.832 10 0 BDAERP C[C@H]([NH2+]CCc1ccns1)[C@H]1CCC[NH2+]C1 ZINC000709985274 712237078 /nfs/dbraw/zinc/23/70/78/712237078.db2.gz SEZSAKXTZIXFHC-QWRGUYRKSA-N 2 0 239.388 1.663 10 0 BDAERP Cc1c[nH+]ccc1N[C@@H]1C[NH2+]CC1(C)C ZINC000721899160 710691173 /nfs/dbraw/zinc/69/11/73/710691173.db2.gz PWRUHFZUYZNCSD-LLVKDONJSA-N 2 0 205.305 1.222 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000723956706 710734511 /nfs/dbraw/zinc/73/45/11/710734511.db2.gz RCSFBQXVICATTK-MQYQWHSLSA-N 2 0 240.391 1.779 10 0 BDAERP CC(C)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000669383277 711790013 /nfs/dbraw/zinc/79/00/13/711790013.db2.gz QXASCBWDLAHMMH-RYUDHWBXSA-N 2 0 212.337 1.095 10 0 BDAERP CC(C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000711103254 712280860 /nfs/dbraw/zinc/28/08/60/712280860.db2.gz XWZRLEZHQBTWGC-AGIUHOORSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000711248902 712291473 /nfs/dbraw/zinc/29/14/73/712291473.db2.gz JNWSUMCVKZNQGJ-YNEHKIRRSA-N 2 0 240.391 1.779 10 0 BDAERP C[N@H+](CCOC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000711751454 712323798 /nfs/dbraw/zinc/32/37/98/712323798.db2.gz FJVZIRRUYJKJBI-NSHDSACASA-N 2 0 212.337 1.239 10 0 BDAERP C(C[C@@H]1CC[C@H]2C[C@H]21)[NH2+]C1CC[NH2+]CC1 ZINC000717023754 712605387 /nfs/dbraw/zinc/60/53/87/712605387.db2.gz GZQFOWVSRKIMPO-GVXVVHGQSA-N 2 0 208.349 1.764 10 0 BDAERP CN1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000685953521 538898117 /nfs/dbraw/zinc/89/81/17/538898117.db2.gz ICUFRPAERQQQGZ-SNVBAGLBSA-N 2 0 225.380 1.329 10 0 BDAERP CCN1CC[C@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000685953825 538898871 /nfs/dbraw/zinc/89/88/71/538898871.db2.gz IVBUWOUOKKRUHF-LBPRGKRZSA-N 2 0 223.364 1.036 10 0 BDAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCOCC2 ZINC000685953933 538898902 /nfs/dbraw/zinc/89/89/02/538898902.db2.gz JPMRAJZMKVSZMO-RYUDHWBXSA-N 2 0 212.337 1.367 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCSC2 ZINC000685955274 538900681 /nfs/dbraw/zinc/90/06/81/538900681.db2.gz XBOXELUUXRIFIF-VHSXEESVSA-N 2 0 200.351 1.305 10 0 BDAERP C[N@H+](C[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCSC1 ZINC000227803639 398138037 /nfs/dbraw/zinc/13/80/37/398138037.db2.gz SENSVPLMHMUQQO-GMTAPVOTSA-N 2 0 214.378 1.551 10 0 BDAERP CCC(CC)(C[NH2+]C1CC1)C[N@H+](C)C[C@@H](C)O ZINC000051840494 168324988 /nfs/dbraw/zinc/32/49/88/168324988.db2.gz BXFXIZHZRRPGMD-GFCCVEGCSA-N 2 0 242.407 1.857 10 0 BDAERP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CCOC1 ZINC000335034385 136214870 /nfs/dbraw/zinc/21/48/70/136214870.db2.gz QUPVPBHVJDPPHK-RYUDHWBXSA-N 2 0 212.337 1.145 10 0 BDAERP CCc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000386661514 398214957 /nfs/dbraw/zinc/21/49/57/398214957.db2.gz VNJVALSIMWVNCQ-WCFLWFBJSA-N 2 0 248.374 1.152 10 0 BDAERP Cc1ccc(C(N)=[NH2+])c(OC2CC[NH+](C)CC2)c1 ZINC000051581375 178369426 /nfs/dbraw/zinc/36/94/26/178369426.db2.gz WRJJIGKCPFHAFN-UHFFFAOYSA-N 2 0 247.342 1.752 10 0 BDAERP CC[N@@H+]1C[C@H](C)[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000381318016 538998464 /nfs/dbraw/zinc/99/84/64/538998464.db2.gz NUAMATFJSQPEQE-GXFFZTMASA-N 2 0 219.332 1.564 10 0 BDAERP C[NH+](C)C1(CNC2=[NH+]CCS2)CCC1 ZINC000165258527 342892569 /nfs/dbraw/zinc/89/25/69/342892569.db2.gz PEPJTILKXGXYDN-UHFFFAOYSA-N 2 0 213.350 1.163 10 0 BDAERP C[C@H]([NH3+])c1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000142068181 398343763 /nfs/dbraw/zinc/34/37/63/398343763.db2.gz DHPURYZSYLASRT-AVGNSLFASA-N 2 0 247.386 1.889 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000562744792 323029777 /nfs/dbraw/zinc/02/97/77/323029777.db2.gz VZDDLNUCKDBIHK-RQJABVFESA-N 2 0 240.391 1.779 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)C(C)(C)O ZINC000400425218 529666630 /nfs/dbraw/zinc/66/66/30/529666630.db2.gz YHKLFGGSOGHYAA-VWYCJHECSA-N 2 0 214.353 1.124 10 0 BDAERP CC[NH+]1CCC(CC)(N2CC[NH2+]CC2)CC1 ZINC000584882450 343084755 /nfs/dbraw/zinc/08/47/55/343084755.db2.gz IRBQPPKCUOBELD-UHFFFAOYSA-N 2 0 225.380 1.156 10 0 BDAERP C[C@@H](CNC1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000062079102 136272001 /nfs/dbraw/zinc/27/20/01/136272001.db2.gz WDJNAIGOUXOCKS-LBPRGKRZSA-N 2 0 225.380 1.060 10 0 BDAERP C(C[NH+]1CCCC1)OC[C@@H]1CCC[NH2+]C1 ZINC000051815178 343263239 /nfs/dbraw/zinc/26/32/39/343263239.db2.gz CRONAKNFTMZQPO-GFCCVEGCSA-N 2 0 212.337 1.098 10 0 BDAERP CCCN1CC[C@@H]([NH3+])C12CC[NH+](CCC)CC2 ZINC000712058219 537784176 /nfs/dbraw/zinc/78/41/76/537784176.db2.gz MOJMTNWJAADHAV-CYBMUJFWSA-N 3 0 239.407 1.674 10 0 BDAERP CC(C)(C)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000139170723 343788680 /nfs/dbraw/zinc/78/86/80/343788680.db2.gz BVOHYAYRWRIWGK-UHFFFAOYSA-N 2 0 212.337 1.272 10 0 BDAERP COC[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000218547967 343793076 /nfs/dbraw/zinc/79/30/76/343793076.db2.gz QMHOARZNADZMJB-LLVKDONJSA-N 2 0 212.337 1.097 10 0 BDAERP CC(C)C[C@H]1C[N@H+](CCC[NH3+])CC[C@@H]1O ZINC000409435541 343833662 /nfs/dbraw/zinc/83/36/62/343833662.db2.gz VIWHNHDQQDTRCI-RYUDHWBXSA-N 2 0 214.353 1.064 10 0 BDAERP [NH3+]CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](CO)C1 ZINC000409435971 343836748 /nfs/dbraw/zinc/83/67/48/343836748.db2.gz XMZWHHLUMFVWQA-KBPBESRZSA-N 2 0 234.343 1.043 10 0 BDAERP [NH3+]C1CCC([NH2+][C@H](CO)C2CCCCC2)CC1 ZINC000395191340 344121428 /nfs/dbraw/zinc/12/14/28/344121428.db2.gz OPBQLRJGJNZFLY-JXQTWKCFSA-N 2 0 240.391 1.787 10 0 BDAERP Cc1[nH+]ccc(N2C[C@@H]([NH3+])C[C@@H]2C)c1Cl ZINC000385025953 344300527 /nfs/dbraw/zinc/30/05/27/344300527.db2.gz YUACTZTXMNQLEC-CBAPKCEASA-N 2 0 225.723 1.969 10 0 BDAERP C1OCC1[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC000217972549 344428299 /nfs/dbraw/zinc/42/82/99/344428299.db2.gz UPMCDLDCQKJMFS-UHFFFAOYSA-N 2 0 224.348 1.097 10 0 BDAERP FC1([C@@H]2CCCCC[NH2+]2)CC[NH2+]CC1 ZINC000158107341 344545159 /nfs/dbraw/zinc/54/51/59/344545159.db2.gz OGVRDCWGRGJRGG-JTQLQIEISA-N 2 0 200.301 1.610 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@H]1CC[NH2+]C1 ZINC000634998696 345197956 /nfs/dbraw/zinc/19/79/56/345197956.db2.gz JKSPPFUNVHNUOV-SDDRHHMPSA-N 2 0 208.349 1.907 10 0 BDAERP COCC(C)(C)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999393 345200314 /nfs/dbraw/zinc/20/03/14/345200314.db2.gz UBAFIQWGPWAOTP-WDEREUQCSA-N 2 0 214.353 1.186 10 0 BDAERP Cc1ncsc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999575 345200641 /nfs/dbraw/zinc/20/06/41/345200641.db2.gz WNLWHCNXMNZYSB-SCZZXKLOSA-N 2 0 225.361 1.478 10 0 BDAERP C[C@H]1C[N@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000635000134 345202134 /nfs/dbraw/zinc/20/21/34/345202134.db2.gz HWONBRVQXCXUKM-JQWIXIFHSA-N 2 0 220.316 1.419 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCSC1 ZINC000228555317 345363978 /nfs/dbraw/zinc/36/39/78/345363978.db2.gz WXOCJGMGMVHACD-GHMZBOCLSA-N 2 0 214.378 1.471 10 0 BDAERP CCC[N@H+](CC)Cc1cncc(C[NH3+])c1 ZINC000669378603 537969736 /nfs/dbraw/zinc/96/97/36/537969736.db2.gz IXTZIGMNRXZNSP-UHFFFAOYSA-N 2 0 207.321 1.772 10 0 BDAERP CCC[NH+](CCC)C[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000669378722 537971548 /nfs/dbraw/zinc/97/15/48/537971548.db2.gz JTJZMFOBHJIMGP-STQMWFEESA-N 2 0 227.396 1.293 10 0 BDAERP Cc1cccc(C[N@@H+]2CCCN(CC[NH3+])CC2)c1 ZINC000037039711 179074371 /nfs/dbraw/zinc/07/43/71/179074371.db2.gz RZULWAQYOYEBNE-UHFFFAOYSA-N 2 0 247.386 1.461 10 0 BDAERP Cc1cccc([C@H](C[NH3+])N(C)CC[NH+](C)C)c1 ZINC000041268358 179199129 /nfs/dbraw/zinc/19/91/29/179199129.db2.gz XPMGBGKROUQEFN-AWEZNQCLSA-N 2 0 235.375 1.488 10 0 BDAERP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000251023083 362833772 /nfs/dbraw/zinc/83/37/72/362833772.db2.gz FIYXWAYSURVQEF-UWVGGRQHSA-N 2 0 200.351 1.163 10 0 BDAERP Cc1ccccc1C[C@@H]([NH3+])Cc1ncc[nH]1 ZINC000036946766 179290086 /nfs/dbraw/zinc/29/00/86/179290086.db2.gz HBSMMIPKRKWVLS-GFCCVEGCSA-N 2 0 215.300 1.831 10 0 BDAERP [NH3+]C1CCC(C[NH+]2CCSCC2)CC1 ZINC000037482415 348617975 /nfs/dbraw/zinc/61/79/75/348617975.db2.gz HKSYXRPOJGDIKZ-UHFFFAOYSA-N 2 0 214.378 1.553 10 0 BDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000300846954 362930391 /nfs/dbraw/zinc/93/03/91/362930391.db2.gz NDLRDGOZXYOSFA-ZJUUUORDSA-N 2 0 214.378 1.470 10 0 BDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000300846950 362930403 /nfs/dbraw/zinc/93/04/03/362930403.db2.gz NDLRDGOZXYOSFA-UWVGGRQHSA-N 2 0 214.378 1.470 10 0 BDAERP C[NH+](C)Cc1ccc([C@@H]2CCC[NH2+]2)nc1 ZINC000616576440 349101574 /nfs/dbraw/zinc/10/15/74/349101574.db2.gz USMZNOYXDJRDON-NSHDSACASA-N 2 0 205.305 1.568 10 0 BDAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NCC(C)C)c2)C1 ZINC000114701287 350038140 /nfs/dbraw/zinc/03/81/40/350038140.db2.gz UAOJUVSUWLARMX-LBPRGKRZSA-N 2 0 248.374 1.948 10 0 BDAERP Cc1[nH+]c2c(n1CC[C@H](C)[NH3+])CCCC2 ZINC000076095357 180072183 /nfs/dbraw/zinc/07/21/83/180072183.db2.gz JZZQVFLWXHYNFT-VIFPVBQESA-N 2 0 207.321 1.808 10 0 BDAERP Cc1nccc(CN[C@@H](C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000038037594 180191121 /nfs/dbraw/zinc/19/11/21/180191121.db2.gz USYMWIPUKKRWSB-AAEUAGOBSA-N 2 0 248.374 1.605 10 0 BDAERP COC[C@@]12CCC[C@@H]1C[N@H+](CCC[NH3+])C2 ZINC000409436261 350479021 /nfs/dbraw/zinc/47/90/21/350479021.db2.gz YXFZTBPJGIGWEJ-NEPJUHHUSA-N 2 0 212.337 1.084 10 0 BDAERP [NH3+]CCN1CCC[C@@H](c2cccnc2)C1 ZINC000616620435 350939544 /nfs/dbraw/zinc/93/95/44/350939544.db2.gz JYVZTKWMEBJKIA-GFCCVEGCSA-N 2 0 205.305 1.220 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000306787887 351034604 /nfs/dbraw/zinc/03/46/04/351034604.db2.gz WIYSLDAXLYOCKF-QMMMGPOBSA-N 2 0 200.669 1.394 10 0 BDAERP C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422795538 192472078 /nfs/dbraw/zinc/47/20/78/192472078.db2.gz VWZYBBOFKNPUQY-STQMWFEESA-N 2 0 248.370 1.789 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C1C[NH2+]C1 ZINC000306840319 351150343 /nfs/dbraw/zinc/15/03/43/351150343.db2.gz ZMYYPXDXHDFPAY-ZDUSSCGKSA-N 2 0 245.370 1.165 10 0 BDAERP C[C@H]1C[C@@]2(C[NH+]=C(N)O2)C[N@@H+]1Cc1ccccc1 ZINC000306826927 351136808 /nfs/dbraw/zinc/13/68/08/351136808.db2.gz AQSJBVPWSGXQTA-SMDDNHRTSA-N 2 0 245.326 1.365 10 0 BDAERP C[NH2+]CC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000063158934 351262899 /nfs/dbraw/zinc/26/28/99/351262899.db2.gz ICNOVEMDUDCQLD-NSHDSACASA-N 2 0 214.378 1.423 10 0 BDAERP CS[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH3+])C1 ZINC000307021006 351428856 /nfs/dbraw/zinc/42/88/56/351428856.db2.gz CYKOCJWEVBCCLU-BBBLOLIVSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000307023960 351430070 /nfs/dbraw/zinc/43/00/70/351430070.db2.gz YHPZCTLTSCADRL-WPRPVWTQSA-N 2 0 200.351 1.080 10 0 BDAERP C[C@@H](CNC1=[NH+][C@@H](C)[C@H](C)S1)[NH+](C)C ZINC000307037340 351439271 /nfs/dbraw/zinc/43/92/71/351439271.db2.gz GAXRLQFTWOPJNJ-CIUDSAMLSA-N 2 0 215.366 1.406 10 0 BDAERP C[N@H+](Cc1ccccc1)[C@H]1CC[C@]([NH3+])(CO)C1 ZINC000307159221 351509585 /nfs/dbraw/zinc/50/95/85/351509585.db2.gz UEIFDFMSGWKHLX-UONOGXRCSA-N 2 0 234.343 1.361 10 0 BDAERP C[C@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)CS1 ZINC000307233309 351699658 /nfs/dbraw/zinc/69/96/58/351699658.db2.gz CMQUMJYZNZVGPF-WCBMZHEXSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@@H]1CSC[C@H]1[N@H+](C)C1CC([NH3+])C1 ZINC000307245323 351753440 /nfs/dbraw/zinc/75/34/40/351753440.db2.gz VQHOPXYJRQQHJT-SEZDTBSWSA-N 2 0 200.351 1.159 10 0 BDAERP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000307329901 352028876 /nfs/dbraw/zinc/02/88/76/352028876.db2.gz XIKNKVPOIXBECT-VPOLOUISSA-N 2 0 214.378 1.468 10 0 BDAERP C1C[N@@H+]2CCCC[C@H]2[C@@H]1N1CCC[NH2+]CCC1 ZINC000049667865 187608643 /nfs/dbraw/zinc/60/86/43/187608643.db2.gz WLWRQAIZSPOYKD-UONOGXRCSA-N 2 0 237.391 1.299 10 0 BDAERP [NH3+][C@H]1CC12CCC([NH+]1CCC(CO)CC1)CC2 ZINC000725270885 538102663 /nfs/dbraw/zinc/10/26/63/538102663.db2.gz UEOWZWKBKKUDDB-MOKVOYLWSA-N 2 0 238.375 1.351 10 0 BDAERP COCCC[NH2+]C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725271028 538103012 /nfs/dbraw/zinc/10/30/12/538103012.db2.gz VJJHBBKSBVFXTG-CXQJBGSLSA-N 2 0 212.337 1.273 10 0 BDAERP CC(C)C[C@H](C)[N@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000042562749 188293670 /nfs/dbraw/zinc/29/36/70/188293670.db2.gz LDAUSPGXEXEZOX-LBPRGKRZSA-N 2 0 243.395 1.160 10 0 BDAERP CC(C)[N@H+](CCCO)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000042498981 188294172 /nfs/dbraw/zinc/29/41/72/188294172.db2.gz YCZXUILTYDVNLO-ZIAGYGMSSA-N 2 0 242.407 1.987 10 0 BDAERP CC(C)[C@H](C[NH+](C)C)NCCC[NH+]1CCCC1 ZINC000049332735 188298664 /nfs/dbraw/zinc/29/86/64/188298664.db2.gz HSNYBXLWVOWOEV-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)[C@@H]1CN(CCC[NH+](C)C)CCC[NH2+]1 ZINC000062613497 188303111 /nfs/dbraw/zinc/30/31/11/188303111.db2.gz GVOAMSZTGRWNNT-ZDUSSCGKSA-N 2 0 227.396 1.258 10 0 BDAERP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CSCCS1 ZINC000229587199 188334262 /nfs/dbraw/zinc/33/42/62/188334262.db2.gz NCYIWJMVJRIQCW-WDEREUQCSA-N 2 0 246.445 1.567 10 0 BDAERP CC1CC(C[NH3+])(N2CCSCC2)C1 ZINC000232805417 353516777 /nfs/dbraw/zinc/51/67/77/353516777.db2.gz RINNKRRHAAOYAT-UHFFFAOYSA-N 2 0 200.351 1.163 10 0 BDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C(C)C ZINC000234737158 363429272 /nfs/dbraw/zinc/42/92/72/363429272.db2.gz XCIJVKSEMOBPTJ-WDEREUQCSA-N 2 0 202.342 1.374 10 0 BDAERP CC(C)(O)C(C)(C)[NH2+]CCC[NH+]1CCCC1 ZINC000227345379 535273166 /nfs/dbraw/zinc/27/31/66/535273166.db2.gz ZKTXJKZZBBOSPC-UHFFFAOYSA-N 2 0 228.380 1.611 10 0 BDAERP NC(=[NH2+])c1ccccc1C[NH+]1CCCCC1 ZINC000019436488 181195782 /nfs/dbraw/zinc/19/57/82/181195782.db2.gz ZKFZBGOZFBSVHC-UHFFFAOYSA-N 2 0 217.316 1.957 10 0 BDAERP C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1[NH3+] ZINC000420364793 192223666 /nfs/dbraw/zinc/22/36/66/192223666.db2.gz IRUDJRXKIVQNHQ-QWHCGFSZSA-N 2 0 225.380 1.141 10 0 BDAERP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000393831485 357302549 /nfs/dbraw/zinc/30/25/49/357302549.db2.gz KPIACKICSDNBJV-RHYQMDGZSA-N 2 0 232.331 1.207 10 0 BDAERP [NH3+][C@H]1C[C@H]([NH+]2CCCCC2)C12CCOCC2 ZINC000685949316 538892430 /nfs/dbraw/zinc/89/24/30/538892430.db2.gz PBYBISMCTJFCAD-RYUDHWBXSA-N 2 0 224.348 1.369 10 0 BDAERP Cc1c[nH+]cc(C)c1N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000685950500 538894009 /nfs/dbraw/zinc/89/40/09/538894009.db2.gz ALJUGRDIEFMNFR-NEPJUHHUSA-N 2 0 219.332 1.885 10 0 BDAERP CC[C@](C)(O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640015432 358068143 /nfs/dbraw/zinc/06/81/43/358068143.db2.gz IDLCWBUNLBPKMZ-ZDUSSCGKSA-N 2 0 242.407 1.954 10 0 BDAERP COC[C@H](C)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226451529 358339793 /nfs/dbraw/zinc/33/97/93/358339793.db2.gz IPGWCSUFAGNMFG-VXGBXAGGSA-N 2 0 214.353 1.343 10 0 BDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)[NH2+]C ZINC000230712844 358411122 /nfs/dbraw/zinc/41/11/22/358411122.db2.gz QDIKKKGITLWXIB-GFCCVEGCSA-N 2 0 243.395 1.175 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCSC1 ZINC000306165665 358974174 /nfs/dbraw/zinc/97/41/74/358974174.db2.gz VYGIQYDACBBYBB-KXUCPTDWSA-N 2 0 200.351 1.080 10 0 BDAERP C[NH2+][C@@H]1CCN([C@H]2CSC[C@H]2C)C1 ZINC000306410281 359795781 /nfs/dbraw/zinc/79/57/81/359795781.db2.gz RAWFRSFTMPVAPY-BBBLOLIVSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@H]1C[C@]2(COC(=[NH2+])N2)C[N@@H+]1Cc1ccccc1 ZINC000306565393 360445655 /nfs/dbraw/zinc/44/56/55/360445655.db2.gz YBPXZGYMVAXPEW-SMDDNHRTSA-N 2 0 245.326 1.365 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cccc(Cl)c1F ZINC000306588936 360494226 /nfs/dbraw/zinc/49/42/26/360494226.db2.gz TZCBURJJSXOIGD-QMMMGPOBSA-N 2 0 202.660 1.828 10 0 BDAERP C[C@H](CCO)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578994699 366689740 /nfs/dbraw/zinc/68/97/40/366689740.db2.gz KOWCNZBUUQQIOQ-AVGNSLFASA-N 2 0 228.380 1.373 10 0 BDAERP [NH2+]=C(NO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000070663882 361709005 /nfs/dbraw/zinc/70/90/05/361709005.db2.gz AISDKFBNAXZFQF-UHFFFAOYSA-N 2 0 233.315 1.855 10 0 BDAERP [NH3+]C1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000076645902 181346885 /nfs/dbraw/zinc/34/68/85/181346885.db2.gz JXFZQEODLRGYFG-STQMWFEESA-N 2 0 216.328 1.856 10 0 BDAERP CO[C@@H]1C[N@H+](CCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630369879 364087531 /nfs/dbraw/zinc/08/75/31/364087531.db2.gz XGHBHAXXZSOAJS-QWHCGFSZSA-N 2 0 226.364 1.615 10 0 BDAERP CC[NH2+]CC[C@@H](C[NH3+])c1ccc(COC)cc1 ZINC000725263599 541337179 /nfs/dbraw/zinc/33/71/79/541337179.db2.gz UJFAIHJXKCRDQT-AWEZNQCLSA-N 2 0 236.359 1.875 10 0 BDAERP Cc1cc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc[nH+]1 ZINC000630538729 364234376 /nfs/dbraw/zinc/23/43/76/364234376.db2.gz OUJBVZCOQSJCHN-OKILXGFUSA-N 2 0 231.343 1.826 10 0 BDAERP Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)cc[nH+]1 ZINC000630533425 364226104 /nfs/dbraw/zinc/22/61/04/364226104.db2.gz PKDUCUZTMFEWGO-SKDRFNHKSA-N 2 0 205.305 1.364 10 0 BDAERP [NH3+]CC1CCC2(CC[N@@H+](C3CC3)C2)CC1 ZINC000095077539 181363653 /nfs/dbraw/zinc/36/36/53/181363653.db2.gz GCUKZWFXDPZBAC-UHFFFAOYSA-N 2 0 208.349 1.990 10 0 BDAERP [NH3+]CCCNc1[nH+]ccc2cc3c(cc21)OCO3 ZINC000082766393 181383956 /nfs/dbraw/zinc/38/39/56/181383956.db2.gz VDLFBPCASIMPPP-UHFFFAOYSA-N 2 0 245.282 1.724 10 0 BDAERP Cc1nnsc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000384235288 367679103 /nfs/dbraw/zinc/67/91/03/367679103.db2.gz HYUWZCZVNIJSAM-UWVGGRQHSA-N 2 0 240.376 1.454 10 0 BDAERP Cc1cnccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000384906622 367754364 /nfs/dbraw/zinc/75/43/64/367754364.db2.gz AOVONUGZGRHLFE-MJBXVCDLSA-N 2 0 231.343 1.559 10 0 BDAERP Cc1cnn(CCN[C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000386058845 367906471 /nfs/dbraw/zinc/90/64/71/367906471.db2.gz WXVXRIYGXLYPLM-OLZOCXBDSA-N 2 0 236.363 1.312 10 0 BDAERP C[C@H]1C[N@@H+]([C@H]2CCCSC2)CCC[NH2+]1 ZINC000252979141 368176653 /nfs/dbraw/zinc/17/66/53/368176653.db2.gz GJEVSFWVVVHYBG-QWRGUYRKSA-N 2 0 214.378 1.566 10 0 BDAERP C[C@H]([NH3+])c1ccc(CN2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000223597479 368364546 /nfs/dbraw/zinc/36/45/46/368364546.db2.gz ZEPOQCRUBRTUSL-OLZOCXBDSA-N 2 0 247.386 1.842 10 0 BDAERP C[NH2+]C1CN(c2cc[nH+]c(NC(C)(C)C)c2)C1 ZINC000114703041 368948498 /nfs/dbraw/zinc/94/84/98/368948498.db2.gz HPRVXQDCTCTNJI-UHFFFAOYSA-N 2 0 234.347 1.700 10 0 BDAERP [NH3+]C1(CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000215160518 369118780 /nfs/dbraw/zinc/11/87/80/369118780.db2.gz ALALWOMLPWFNEO-UHFFFAOYSA-N 2 0 234.343 1.362 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H](C)O ZINC000567639404 326237012 /nfs/dbraw/zinc/23/70/12/326237012.db2.gz NDCPTJXPKQGRSZ-KKOKHZNYSA-N 2 0 214.353 1.124 10 0 BDAERP [NH3+]C[C@@H]1CCCC[N@@H+](C2CSC2)C1 ZINC000215781522 371628667 /nfs/dbraw/zinc/62/86/67/371628667.db2.gz YLGDKIBAJCRUIE-VIFPVBQESA-N 2 0 200.351 1.163 10 0 BDAERP C[C@@H]1C[NH2+][C@]2(CC[N@H+](C)[C@@H](C)C2)S1 ZINC000226850611 371751936 /nfs/dbraw/zinc/75/19/36/371751936.db2.gz AWIVFFDPRLPXNA-IVZWLZJFSA-N 2 0 200.351 1.522 10 0 BDAERP C[C@H]1C[N@H+](C[Si](C)(C)C)CC[C@@H]1[NH3+] ZINC000401638613 371796420 /nfs/dbraw/zinc/79/64/20/371796420.db2.gz GODILJJHBWUOJY-UWVGGRQHSA-N 2 0 200.402 1.533 10 0 BDAERP C[C@@H](C(N)=[NH2+])N1CCS[C@@H](C)[C@@H]1C ZINC000132441225 371822664 /nfs/dbraw/zinc/82/26/64/371822664.db2.gz RUHKFWIASUNFBN-FXQIFTODSA-N 2 0 201.339 1.137 10 0 BDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1CC(C)(C)C[NH3+] ZINC000132516481 371847445 /nfs/dbraw/zinc/84/74/45/371847445.db2.gz IMUVDYHGCWHFGV-ZJUUUORDSA-N 2 0 216.394 1.797 10 0 BDAERP CC[NH+](CC)CCNC[C@@H]1CCC[N@@H+]1C ZINC000229305110 372138783 /nfs/dbraw/zinc/13/87/83/372138783.db2.gz QCRDWPTZXGYFRD-LBPRGKRZSA-N 2 0 213.369 1.012 10 0 BDAERP CCc1noc(C)c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839226 372635850 /nfs/dbraw/zinc/63/58/50/372635850.db2.gz CAWBGECRAPFXLO-ONGXEEELSA-N 2 0 237.347 1.572 10 0 BDAERP CCC[NH+]1CCC(C[NH3+])(N2CCCC2)CC1 ZINC000019515345 169186424 /nfs/dbraw/zinc/18/64/24/169186424.db2.gz CFLRUIXQDRQPOA-UHFFFAOYSA-N 2 0 225.380 1.286 10 0 BDAERP CCC[NH+]1CCN(CC2([NH3+])CCCC2)CC1 ZINC000037479586 169202645 /nfs/dbraw/zinc/20/26/45/169202645.db2.gz VMFROXAJGRZYQI-UHFFFAOYSA-N 2 0 225.380 1.286 10 0 BDAERP CCC[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000052421800 169203147 /nfs/dbraw/zinc/20/31/47/169203147.db2.gz CBSGHHWQGOMTDY-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]CCCN(C)C1CC[NH+](CC)CC1 ZINC000042681352 169256407 /nfs/dbraw/zinc/25/64/07/169256407.db2.gz POQVKHUSFBZOEG-UHFFFAOYSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]C[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515194 169261617 /nfs/dbraw/zinc/26/16/17/169261617.db2.gz ZWYNBUOWDACDIH-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@H](C)CN(C)C1CC[NH+](C)CC1 ZINC000052419797 169263090 /nfs/dbraw/zinc/26/30/90/169263090.db2.gz UCTHEUQLNGRBCT-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@H](C)OC1CC[NH+](C)CC1 ZINC000052596496 169263442 /nfs/dbraw/zinc/26/34/42/169263442.db2.gz XUKUWUUUTKQUEE-NSHDSACASA-N 2 0 214.353 1.485 10 0 BDAERP CCC[NH2+]C[C@]1(C[N@H+](C)CC(C)C)CCOC1 ZINC000051215642 169264571 /nfs/dbraw/zinc/26/45/71/169264571.db2.gz GAJFLEKORCKZRE-AWEZNQCLSA-N 2 0 242.407 1.981 10 0 BDAERP CCC[NH2+][C@H]1CC[N@@H+]([C@@H]2CCCOC2)C[C@@H]1C ZINC000103962890 169291723 /nfs/dbraw/zinc/29/17/23/169291723.db2.gz HCSSQLUSUPVLCN-MJBXVCDLSA-N 2 0 240.391 1.875 10 0 BDAERP c1ccc2c(c1)OC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000094010497 183453270 /nfs/dbraw/zinc/45/32/70/183453270.db2.gz MCWUMTKDCYNPRA-CYBMUJFWSA-N 2 0 232.327 1.709 10 0 BDAERP CCCOc1cccc(C[NH2+]CCC[NH3+])c1 ZINC000038038358 169325511 /nfs/dbraw/zinc/32/55/11/169325511.db2.gz YLXDMCXGKQVTNP-UHFFFAOYSA-N 2 0 222.332 1.914 10 0 BDAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cnccn1 ZINC000070025751 384073911 /nfs/dbraw/zinc/07/39/11/384073911.db2.gz MMEXWKAMBZHGLP-WHXUTIOJSA-N 2 0 220.320 1.397 10 0 BDAERP C(COCC1CCCC1)[NH2+]C1CC[NH2+]CC1 ZINC000313254545 384164547 /nfs/dbraw/zinc/16/45/47/384164547.db2.gz PGRJXQQEHVJUTQ-UHFFFAOYSA-N 2 0 226.364 1.535 10 0 BDAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000400367484 384206128 /nfs/dbraw/zinc/20/61/28/384206128.db2.gz FRVPZUKHAKSHJS-JCIQBVFBSA-N 2 0 212.337 1.140 10 0 BDAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400367488 384206475 /nfs/dbraw/zinc/20/64/75/384206475.db2.gz FRVPZUKHAKSHJS-ZIQFBCGOSA-N 2 0 212.337 1.140 10 0 BDAERP COC1(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCCC1 ZINC000319225145 384214170 /nfs/dbraw/zinc/21/41/70/384214170.db2.gz UGTRSKWHGFIZAV-AVGNSLFASA-N 2 0 238.375 1.615 10 0 BDAERP [NH3+]C[C@H]1CCCN(Cc2ccc(Cl)nn2)C1 ZINC000095072557 384343491 /nfs/dbraw/zinc/34/34/91/384343491.db2.gz INNGQLWKRJFHOS-SECBINFHSA-N 2 0 240.738 1.301 10 0 BDAERP C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000095075939 384350720 /nfs/dbraw/zinc/35/07/20/384350720.db2.gz JKXQRHRSEWMWBN-KGLIPLIRSA-N 2 0 234.343 1.089 10 0 BDAERP Cc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)cc[nH+]1 ZINC000335655384 384451605 /nfs/dbraw/zinc/45/16/05/384451605.db2.gz BPOFJNYOEXTDMY-CABZTGNLSA-N 2 0 205.305 1.222 10 0 BDAERP CCC[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OC ZINC000356317500 384626422 /nfs/dbraw/zinc/62/64/22/384626422.db2.gz DXENGOWTEQOAIK-VXGBXAGGSA-N 2 0 214.353 1.533 10 0 BDAERP C[C@H](CC[NH+](C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000086729395 384678644 /nfs/dbraw/zinc/67/86/44/384678644.db2.gz BPHGYVFHHFAERR-VOMCLLRMSA-N 3 0 213.369 1.186 10 0 BDAERP C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)C1CC1 ZINC000177244917 384926475 /nfs/dbraw/zinc/92/64/75/384926475.db2.gz KNORBRWBRRFRHH-DGCLKSJQSA-N 2 0 226.364 1.221 10 0 BDAERP COc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000258690143 384931410 /nfs/dbraw/zinc/93/14/10/384931410.db2.gz FTXIINHAZXGGBD-JTQLQIEISA-N 2 0 208.305 1.522 10 0 BDAERP C([C@H]1C[NH+]2CCC1CC2)[C@@H]1CCCC[NH2+]1 ZINC000169726669 385418909 /nfs/dbraw/zinc/41/89/09/385418909.db2.gz NDQFXYGSIYHDPC-STQMWFEESA-N 2 0 208.349 1.860 10 0 BDAERP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCSC1 ZINC000336231010 385496788 /nfs/dbraw/zinc/49/67/88/385496788.db2.gz BBTGMBFWNIBQSZ-RYUDHWBXSA-N 2 0 228.405 1.861 10 0 BDAERP FC1(F)CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335034929 385923803 /nfs/dbraw/zinc/92/38/03/385923803.db2.gz QCXFHRPSHHECGZ-JTQLQIEISA-N 2 0 218.291 1.906 10 0 BDAERP Cc1cncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000310307149 386176130 /nfs/dbraw/zinc/17/61/30/386176130.db2.gz CXULSKYCEYRRKR-IHRRRGAJSA-N 2 0 231.343 1.559 10 0 BDAERP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000335497783 386623289 /nfs/dbraw/zinc/62/32/89/386623289.db2.gz ZDLHTBXYWYHHDF-VXGBXAGGSA-N 2 0 208.349 1.908 10 0 BDAERP c1ccc(NC[C@H]2CN(C3CC3)CCO2)nc1 ZINC000066745952 386705534 /nfs/dbraw/zinc/70/55/34/386705534.db2.gz OBLQQPCKFUAISP-LBPRGKRZSA-N 2 0 233.315 1.357 10 0 BDAERP C[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000192453231 386771731 /nfs/dbraw/zinc/77/17/31/386771731.db2.gz YNDZPDUGOIMPPH-VXGBXAGGSA-N 2 0 228.380 1.589 10 0 BDAERP C[C@@H]([C@H]1C[C@H]1C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000320928681 387014193 /nfs/dbraw/zinc/01/41/93/387014193.db2.gz BQZCKKVMLGQWMG-NAWOPXAZSA-N 2 0 210.365 1.948 10 0 BDAERP CCOc1cc([C@@H]([NH3+])CCC[NH3+])ccc1O ZINC000575438106 387113270 /nfs/dbraw/zinc/11/32/70/387113270.db2.gz DVZXLWQUGDTJDC-JTQLQIEISA-N 2 0 224.304 1.530 10 0 BDAERP COc1cccc([C@H]([NH3+])CCCC[NH3+])c1F ZINC000575438810 387120066 /nfs/dbraw/zinc/12/00/66/387120066.db2.gz AWZQCYXYBFWWNC-SNVBAGLBSA-N 2 0 226.295 1.963 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(F)c1F ZINC000575438854 387120128 /nfs/dbraw/zinc/12/01/28/387120128.db2.gz DANAAWDSXDYBDT-SECBINFHSA-N 2 0 200.232 1.704 10 0 BDAERP COc1cccc([C@H]([NH3+])CCCC[NH3+])c1 ZINC000575439150 387122137 /nfs/dbraw/zinc/12/21/37/387122137.db2.gz UTINOSWIWZEUCI-GFCCVEGCSA-N 2 0 208.305 1.824 10 0 BDAERP COc1cc([C@H]([NH3+])CCC[NH3+])ccc1F ZINC000575438904 387122196 /nfs/dbraw/zinc/12/21/96/387122196.db2.gz GLGLEPDANLAUTI-SNVBAGLBSA-N 2 0 212.268 1.573 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1cccc2[nH]ccc21 ZINC000575439386 387123220 /nfs/dbraw/zinc/12/32/20/387123220.db2.gz IDPKRFAPKCOUIR-LLVKDONJSA-N 2 0 203.289 1.907 10 0 BDAERP CCOc1ccccc1[C@@H]([NH3+])CCC[NH3+] ZINC000575439537 387123617 /nfs/dbraw/zinc/12/36/17/387123617.db2.gz FILWJJXTSCZGEI-NSHDSACASA-N 2 0 208.305 1.824 10 0 BDAERP C[C@@H]1C[C@H](C2CC[NH2+]CC2)C[C@H](O)[N@@H+]1C ZINC000536950648 387162295 /nfs/dbraw/zinc/16/22/95/387162295.db2.gz QNJMGHVWOFZSOG-USWWRNFRSA-N 2 0 212.337 1.035 10 0 BDAERP CC(C)n1cc([C@H]2[NH2+]CC23CC[NH2+]CC3)cn1 ZINC000536957060 387170660 /nfs/dbraw/zinc/17/06/60/387170660.db2.gz BASUOQSUHZOQGG-GFCCVEGCSA-N 2 0 234.347 1.478 10 0 BDAERP Cc1cnc(CN(C)[C@H]2CCC[NH2+]CC2)o1 ZINC000336309222 387138124 /nfs/dbraw/zinc/13/81/24/387138124.db2.gz GRKIQWXQZKIXEC-NSHDSACASA-N 2 0 223.320 1.557 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2C[C@H]([NH3+])C2)CCS1 ZINC000575485413 387253815 /nfs/dbraw/zinc/25/38/15/387253815.db2.gz OOMAUUDILLTUPM-OPRDCNLKSA-N 2 0 200.351 1.161 10 0 BDAERP CC1([NH3+])CC[NH+](C[Si](C)(C)C)CC1 ZINC000575568824 387730465 /nfs/dbraw/zinc/73/04/65/387730465.db2.gz APWHUZNNARHYFS-UHFFFAOYSA-N 2 0 200.402 1.677 10 0 BDAERP CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422972460 387821786 /nfs/dbraw/zinc/82/17/86/387821786.db2.gz LRDTVWHCKMXJNO-MJBXVCDLSA-N 2 0 239.407 1.306 10 0 BDAERP [NH3+][C@H]1CCC[C@H](C[NH+]2CCSCC2)C1 ZINC000070503082 387840716 /nfs/dbraw/zinc/84/07/16/387840716.db2.gz WWLWTMVMCKIWHH-QWRGUYRKSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000643459714 387849304 /nfs/dbraw/zinc/84/93/04/387849304.db2.gz USYGYBLMEVSLLE-YNEHKIRRSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)O1 ZINC000193606359 387858979 /nfs/dbraw/zinc/85/89/79/387858979.db2.gz BGXOKFMKDHJIEB-NDBYEHHHSA-N 2 0 224.348 1.047 10 0 BDAERP Cc1ccc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)nc1 ZINC000423161262 387944448 /nfs/dbraw/zinc/94/44/48/387944448.db2.gz INKRFJZRKHXGFZ-OLZOCXBDSA-N 2 0 233.359 1.520 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]1C1CC1 ZINC000423164080 387944981 /nfs/dbraw/zinc/94/49/81/387944981.db2.gz NTXJYGNIEINXES-XQQFMLRXSA-N 2 0 208.349 1.764 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)C12CCC2 ZINC000423172067 387959833 /nfs/dbraw/zinc/95/98/33/387959833.db2.gz RDSKBWCRGKSWQF-QNWHQSFQSA-N 2 0 238.375 1.532 10 0 BDAERP C[C@@H]([NH2+]CCOCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400502991 387983085 /nfs/dbraw/zinc/98/30/85/387983085.db2.gz CNXVKXIBUXKDRO-HIFRSBDPSA-N 2 0 248.370 1.791 10 0 BDAERP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400509568 387986513 /nfs/dbraw/zinc/98/65/13/387986513.db2.gz FEDFAYALLYYSIK-RAIGVLPGSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+][C@H](CO)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400324012 388115864 /nfs/dbraw/zinc/11/58/64/388115864.db2.gz BYSYJVHZTCDUGD-CYZMBNFOSA-N 2 0 226.364 1.125 10 0 BDAERP CC(C)[C@@H](CN[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000086725756 388108009 /nfs/dbraw/zinc/10/80/09/388108009.db2.gz COKCTRHCJQRYQH-QWHCGFSZSA-N 2 0 225.380 1.058 10 0 BDAERP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C[NH+](C)C ZINC000336720620 388469096 /nfs/dbraw/zinc/46/90/96/388469096.db2.gz SFPHKMCQZDSLDO-YVECIDJPSA-N 2 0 240.391 1.587 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1c(F)ccc(F)c1F ZINC000575439515 388629330 /nfs/dbraw/zinc/62/93/30/388629330.db2.gz CKNJBJDRBWVZCC-QMMMGPOBSA-N 2 0 218.222 1.843 10 0 BDAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000530224376 388634593 /nfs/dbraw/zinc/63/45/93/388634593.db2.gz LVTWJOKFUZNQIK-NZEXEKPDSA-N 2 0 226.364 1.530 10 0 BDAERP C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000530225579 388635045 /nfs/dbraw/zinc/63/50/45/388635045.db2.gz OMRICHGTYBYXQR-VPCRRHSYSA-N 2 0 240.391 1.776 10 0 BDAERP Cc1c[nH+]ccc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000335583432 177653812 /nfs/dbraw/zinc/65/38/12/177653812.db2.gz YPQAPTZFDONOJG-MNOVXSKESA-N 2 0 205.305 1.494 10 0 BDAERP CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566089450 388986837 /nfs/dbraw/zinc/98/68/37/388986837.db2.gz WYAWUVZXKGHEOI-MGPQQGTHSA-N 2 0 239.407 1.306 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566090797 388987483 /nfs/dbraw/zinc/98/74/83/388987483.db2.gz OWDXABWRDAZORL-JHJVBQTASA-N 2 0 228.380 1.371 10 0 BDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12C[C@@H]([NH3+])CO2 ZINC000575508447 388998413 /nfs/dbraw/zinc/99/84/13/388998413.db2.gz LXOGYKJKBIUWKC-CFVMTHIKSA-N 2 0 246.354 1.767 10 0 BDAERP C[C@@H]([NH2+]CC1(CO)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400576496 533358948 /nfs/dbraw/zinc/35/89/48/533358948.db2.gz PEHCBNUAYGVQEI-NEPJUHHUSA-N 2 0 226.364 1.127 10 0 BDAERP C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CC[NH2+]C1 ZINC000400702035 533405779 /nfs/dbraw/zinc/40/57/79/533405779.db2.gz KFOCMDOFALTUPW-GHMZBOCLSA-N 2 0 208.305 1.410 10 0 BDAERP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000306833292 533529545 /nfs/dbraw/zinc/52/95/45/533529545.db2.gz NQJCXKUWNUSONK-ZNSHCXBVSA-N 2 0 214.378 1.468 10 0 BDAERP COCC[N@@H+]1CCN(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000274372695 132202845 /nfs/dbraw/zinc/20/28/45/132202845.db2.gz QNIUGUQMGGVPHV-ZDUSSCGKSA-N 2 0 249.358 1.547 10 0 BDAERP C[C@H](C[NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000049835977 132358410 /nfs/dbraw/zinc/35/84/10/132358410.db2.gz OIRROBOMSMRYJJ-AWEZNQCLSA-N 2 0 247.386 1.794 10 0 BDAERP [NH3+]Cc1cnc2ccccc2c1N1CC[NH2+]CC1 ZINC000052861007 132362703 /nfs/dbraw/zinc/36/27/03/132362703.db2.gz PQMXQARXGUSHRH-UHFFFAOYSA-N 2 0 242.326 1.103 10 0 BDAERP CCC[C@H](CCO)C[NH2+]C1CCC([NH3+])CC1 ZINC000227432575 134380137 /nfs/dbraw/zinc/38/01/37/134380137.db2.gz PIWJQHOLHJHWAY-PNESKVBLSA-N 2 0 228.380 1.645 10 0 BDAERP C[NH+](C)CCC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000252459206 135090815 /nfs/dbraw/zinc/09/08/15/135090815.db2.gz WVOZSFOPEULKHG-VXGBXAGGSA-N 2 0 214.353 1.031 10 0 BDAERP COC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527670 135151894 /nfs/dbraw/zinc/15/18/94/135151894.db2.gz FPYSCQJXVUOPEQ-UWVGGRQHSA-N 2 0 200.326 1.081 10 0 BDAERP Cc1c(CN2CC[C@H]([NH3+])C(C)(C)C2)cnn1C ZINC000261562671 135204324 /nfs/dbraw/zinc/20/43/24/135204324.db2.gz WMDGJYQZTISRCK-LBPRGKRZSA-N 2 0 236.363 1.288 10 0 BDAERP Fc1cncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261985329 135269750 /nfs/dbraw/zinc/26/97/50/135269750.db2.gz JROXCCRVHFRNCX-UHFFFAOYSA-N 2 0 249.333 1.796 10 0 BDAERP Cc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262110250 135279284 /nfs/dbraw/zinc/27/92/84/135279284.db2.gz KJEVTNVFLVAMKE-HIFRSBDPSA-N 2 0 248.370 1.282 10 0 BDAERP [NH3+]CCCCCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262566448 135306130 /nfs/dbraw/zinc/30/61/30/135306130.db2.gz DLDFHDBRMKDFQH-NEPJUHHUSA-N 2 0 241.379 1.139 10 0 BDAERP CCCc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263210013 135339417 /nfs/dbraw/zinc/33/94/17/135339417.db2.gz KDBJXFIFYHPEDZ-LSDHHAIUSA-N 2 0 248.370 1.309 10 0 BDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000263317184 135346636 /nfs/dbraw/zinc/34/66/36/135346636.db2.gz ZQROLJWDWGROEP-QWHCGFSZSA-N 2 0 226.364 1.127 10 0 BDAERP C[C@@H]([NH3+])[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000034936166 398017497 /nfs/dbraw/zinc/01/74/97/398017497.db2.gz OAIJBTNKFXKXQR-TZMCWYRMSA-N 2 0 233.359 1.322 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@@H]1CC[NH2+]C1 ZINC000400569848 398125032 /nfs/dbraw/zinc/12/50/32/398125032.db2.gz NJXUVEUAZMVXFS-YNEHKIRRSA-N 2 0 226.364 1.533 10 0 BDAERP CC(C)[NH2+]CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000309335027 167105274 /nfs/dbraw/zinc/10/52/74/167105274.db2.gz IUXKJYNXMAIXHK-ZDUSSCGKSA-N 2 0 227.396 1.401 10 0 BDAERP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262107143 487588647 /nfs/dbraw/zinc/58/86/47/487588647.db2.gz JSPXPFFKWPZHGA-MROQNXINSA-N 2 0 240.391 1.371 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000660903992 409951208 /nfs/dbraw/zinc/95/12/08/409951208.db2.gz QQRBBCCPPSYAPZ-REWJHTLYSA-N 2 0 240.391 1.466 10 0 BDAERP CC(C)(C)[NH2+]Cc1ccc(OCC[NH3+])cc1 ZINC000041241288 166635148 /nfs/dbraw/zinc/63/51/48/166635148.db2.gz JVFDLAWKXAPGSN-UHFFFAOYSA-N 2 0 222.332 1.912 10 0 BDAERP CC[NH+](CC)CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022151650 169769990 /nfs/dbraw/zinc/76/99/90/169769990.db2.gz CYERFTQRRBILGK-UHFFFAOYSA-N 2 0 249.358 1.816 10 0 BDAERP Cc1cccc(NCCC2(C[NH3+])CC2)[nH+]1 ZINC000395905662 410866571 /nfs/dbraw/zinc/86/65/71/410866571.db2.gz KXIKJVGCPZXLFP-UHFFFAOYSA-N 2 0 205.305 1.931 10 0 BDAERP CC(C)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931200 167030564 /nfs/dbraw/zinc/03/05/64/167030564.db2.gz FJRXQUXPICMBKK-FDYHWXHSSA-N 2 0 210.365 1.961 10 0 BDAERP CC(C)NC(=[NH2+])N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062985237 167034737 /nfs/dbraw/zinc/03/47/37/167034737.db2.gz FAEFVMJCHQCDAM-GFCCVEGCSA-N 2 0 238.379 1.479 10 0 BDAERP CC(C)[NH2+]CCNCCC[N@@H+]1CCCC[C@@H]1C ZINC000049477774 167106445 /nfs/dbraw/zinc/10/64/45/167106445.db2.gz PFTLNNVNGZFFBZ-AWEZNQCLSA-N 2 0 241.423 1.839 10 0 BDAERP CC(C)[C@@H](C)N(C)C1(C[NH3+])CC[NH+](C)CC1 ZINC000036786967 167365562 /nfs/dbraw/zinc/36/55/62/167365562.db2.gz XBKBLROQNSDXCR-GFCCVEGCSA-N 2 0 227.396 1.386 10 0 BDAERP CC[NH+](CC)[C@H]1CCN(C2(C[NH3+])CCCC2)C1 ZINC000062978328 169801724 /nfs/dbraw/zinc/80/17/24/169801724.db2.gz VTMQAFLJAVDILM-ZDUSSCGKSA-N 2 0 239.407 1.674 10 0 BDAERP C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000656193919 411199443 /nfs/dbraw/zinc/19/94/43/411199443.db2.gz YPOQGPOFESNZBN-MCIONIFRSA-N 2 0 247.386 1.990 10 0 BDAERP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000656199703 411204896 /nfs/dbraw/zinc/20/48/96/411204896.db2.gz BCURUEGZONNUBU-KGLIPLIRSA-N 2 0 247.386 1.829 10 0 BDAERP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000334787613 411245528 /nfs/dbraw/zinc/24/55/28/411245528.db2.gz XCLWPJWHOFZYAK-VHSXEESVSA-N 2 0 218.291 1.763 10 0 BDAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000403468849 411349317 /nfs/dbraw/zinc/34/93/17/411349317.db2.gz OBEUKASCHVAEFI-OBPIAQAESA-N 2 0 208.349 1.763 10 0 BDAERP CC1CC[NH+](CCNc2[nH+]ccn2C)CC1 ZINC000050606253 168181650 /nfs/dbraw/zinc/18/16/50/168181650.db2.gz NCQVOZFAVZUNGO-UHFFFAOYSA-N 2 0 222.336 1.564 10 0 BDAERP CCO[C@@H]1CN(c2cc[nH+]cc2C)C[C@H]1C[NH3+] ZINC000405516065 411433257 /nfs/dbraw/zinc/43/32/57/411433257.db2.gz HHRPGTMJFXCPKY-DGCLKSJQSA-N 2 0 235.331 1.190 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000307274835 411469855 /nfs/dbraw/zinc/46/98/55/411469855.db2.gz OVFNDRAZWCQRKY-XWLWVQCSSA-N 2 0 214.378 1.468 10 0 BDAERP CC[NH+]1CCC(N(C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000042680045 169952786 /nfs/dbraw/zinc/95/27/86/169952786.db2.gz RUDHYOZPLNZLDK-CYBMUJFWSA-N 2 0 225.380 1.155 10 0 BDAERP CC[N@@H+]1CC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000037484489 170015626 /nfs/dbraw/zinc/01/56/26/170015626.db2.gz DVUBUEBHAOAJBF-SNVBAGLBSA-N 2 0 227.377 1.411 10 0 BDAERP CC[N@@H+]1CCc2nc(CC[NH3+])sc2C1 ZINC000019434424 170024831 /nfs/dbraw/zinc/02/48/31/170024831.db2.gz YXXGBUMJOWXKSN-UHFFFAOYSA-N 2 0 211.334 1.022 10 0 BDAERP CC[NH2+]C(C)(C)CN1CCC[N@H+](C)CC1 ZINC000061299642 170107873 /nfs/dbraw/zinc/10/78/73/170107873.db2.gz LYKYVHADZBWUPN-UHFFFAOYSA-N 2 0 213.369 1.012 10 0 BDAERP CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000037690852 170109448 /nfs/dbraw/zinc/10/94/48/170109448.db2.gz IPGBNSUOTQQVBZ-STQMWFEESA-N 2 0 226.364 1.364 10 0 BDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)[NH+](C)C ZINC000054629161 170109784 /nfs/dbraw/zinc/10/97/84/170109784.db2.gz XKCQPHULABENTK-RLAWYHOSSA-N 2 0 239.407 1.541 10 0 BDAERP CC[NH2+]C1CCN([C@H]2CC[N@@H+]3CCC[C@H]23)CC1 ZINC000049568623 170110047 /nfs/dbraw/zinc/11/00/47/170110047.db2.gz XTXXBFZFNRDSTG-KGLIPLIRSA-N 2 0 237.391 1.297 10 0 BDAERP CC[NH2+]CCCCC[N@H+](C)CCN1CCCC1 ZINC000063054143 170111710 /nfs/dbraw/zinc/11/17/10/170111710.db2.gz SIRGRGAXPPSJCO-UHFFFAOYSA-N 2 0 241.423 1.794 10 0 BDAERP CC[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000053695999 170120083 /nfs/dbraw/zinc/12/00/83/170120083.db2.gz ALWNSWSTMDKXBQ-LBPRGKRZSA-N 2 0 219.332 1.908 10 0 BDAERP CC[NH2+]C[C@@H]1CCCN1c1cc[nH+]cc1 ZINC000053696606 170120281 /nfs/dbraw/zinc/12/02/81/170120281.db2.gz MLIVSBDCGMVTEV-LBPRGKRZSA-N 2 0 205.305 1.660 10 0 BDAERP CC[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C ZINC000104193746 170151296 /nfs/dbraw/zinc/15/12/96/170151296.db2.gz AKSNHMJMMMDSGU-GXTWGEPZSA-N 2 0 240.391 1.733 10 0 BDAERP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1CCCOCC1 ZINC000061934630 170166520 /nfs/dbraw/zinc/16/65/20/170166520.db2.gz CLUXPCCXNMIUCY-OLZOCXBDSA-N 2 0 226.364 1.487 10 0 BDAERP CCOC(=O)CCCCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048565 170199328 /nfs/dbraw/zinc/19/93/28/170199328.db2.gz LGYZXKGNQJGXRM-NWDGAFQWSA-N 2 0 242.363 1.389 10 0 BDAERP CCOC1CC[NH+]([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000040689239 170333009 /nfs/dbraw/zinc/33/30/09/170333009.db2.gz UKUHNCRJEZHEGZ-STQMWFEESA-N 2 0 226.364 1.757 10 0 BDAERP CC[C@@H]1CC[N@@H+](C2CCOCC2)CCC[NH2+]1 ZINC000049666362 171009794 /nfs/dbraw/zinc/00/97/94/171009794.db2.gz BFZHJWRRCXUBQR-GFCCVEGCSA-N 2 0 226.364 1.629 10 0 BDAERP Cc1nocc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000662266742 412058438 /nfs/dbraw/zinc/05/84/38/412058438.db2.gz OQLRDEZMGLONKK-DLOVCJGASA-N 2 0 221.304 1.152 10 0 BDAERP CC[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000083089102 171076460 /nfs/dbraw/zinc/07/64/60/171076460.db2.gz JGXSHNAIRYKTST-VXGBXAGGSA-N 2 0 225.380 1.153 10 0 BDAERP CC[C@@](C)(C[NH3+])CN(CC[NH+](C)C)CC(C)C ZINC000051250606 171166057 /nfs/dbraw/zinc/16/60/57/171166057.db2.gz UNFRRSGZEZYNOT-AWEZNQCLSA-N 2 0 243.439 1.881 10 0 BDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000665244896 412189744 /nfs/dbraw/zinc/18/97/44/412189744.db2.gz ZAIKLHWKZQWXDD-ZJUUUORDSA-N 2 0 234.290 1.142 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CC[NH2+]C1 ZINC000665265366 412208655 /nfs/dbraw/zinc/20/86/55/412208655.db2.gz WGMNKMFAZXKHIY-YVECIDJPSA-N 2 0 226.364 1.532 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@@H]1CC[NH2+]C1 ZINC000665265363 412208790 /nfs/dbraw/zinc/20/87/90/412208790.db2.gz WGMNKMFAZXKHIY-FDYHWXHSSA-N 2 0 226.364 1.532 10 0 BDAERP CCn1cccc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000091025267 172208683 /nfs/dbraw/zinc/20/86/83/172208683.db2.gz WKAWLZWJNWHATQ-GFCCVEGCSA-N 2 0 232.331 1.883 10 0 BDAERP CCn1cc[nH+]c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000050614253 172228198 /nfs/dbraw/zinc/22/81/98/172228198.db2.gz AMYVEECCZZLRAG-NWDGAFQWSA-N 2 0 234.347 1.942 10 0 BDAERP CN(CCC[NH+](C)C)c1ccc(CC[NH3+])cc1 ZINC000104268872 172430459 /nfs/dbraw/zinc/43/04/59/172430459.db2.gz VBTKYGROAVLJKD-UHFFFAOYSA-N 2 0 235.375 1.576 10 0 BDAERP C[N@@H+]1CCCN(C(=[NH2+])NC2CCCCC2)CC1 ZINC000052045315 173009737 /nfs/dbraw/zinc/00/97/37/173009737.db2.gz KMZPSJMPFOPBLD-UHFFFAOYSA-N 2 0 238.379 1.481 10 0 BDAERP C[N@@H+]1CCCN(C2(C[NH3+])CCCCC2)CC1 ZINC000020217736 173014729 /nfs/dbraw/zinc/01/47/29/173014729.db2.gz TYUOVLQSXWKXMH-UHFFFAOYSA-N 2 0 225.380 1.286 10 0 BDAERP C[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2N)C1 ZINC000040715741 173022501 /nfs/dbraw/zinc/02/25/01/173022501.db2.gz RXEQYLNITPEZMN-SECBINFHSA-N 2 0 206.293 1.170 10 0 BDAERP CN1CCC[C@H]([N@H+](C)C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000070578722 173044991 /nfs/dbraw/zinc/04/49/91/173044991.db2.gz JDAUDSOKZMFUGZ-RDBSUJKOSA-N 2 0 239.407 1.530 10 0 BDAERP CN(C[C@H]([NH3+])c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000053244963 173045357 /nfs/dbraw/zinc/04/53/57/173045357.db2.gz ZQSHFOMBXVIQFO-GJZGRUSLSA-N 2 0 247.386 1.712 10 0 BDAERP C[NH+]1CCN(C[C@@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000023071855 173084568 /nfs/dbraw/zinc/08/45/68/173084568.db2.gz WUBCRFBEYSSYIQ-CYBMUJFWSA-N 2 0 237.322 1.073 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000037484769 173116313 /nfs/dbraw/zinc/11/63/13/173116313.db2.gz SBKAXGIFUCZLNB-STQMWFEESA-N 2 0 208.349 1.884 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037484722 173147801 /nfs/dbraw/zinc/14/78/01/173147801.db2.gz QELQSIPAXRMILR-GFCCVEGCSA-N 2 0 220.316 1.434 10 0 BDAERP C[N@@H+]1CC[C@]2(C[C@H](CC[NH3+])CS2)C1 ZINC000082382430 173168327 /nfs/dbraw/zinc/16/83/27/173168327.db2.gz MKIAQGADLFZJQY-UWVGGRQHSA-N 2 0 200.351 1.163 10 0 BDAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccncc1)C2 ZINC000048261657 173206178 /nfs/dbraw/zinc/20/61/78/173206178.db2.gz PRUUDWSCFMHQLX-GOOCMWNKSA-N 2 0 245.370 1.839 10 0 BDAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCn1cccn1)C2 ZINC000042539263 173207174 /nfs/dbraw/zinc/20/71/74/173207174.db2.gz XMVIMCMPEKPLIS-YHWZYXNKSA-N 2 0 234.347 1.098 10 0 BDAERP CNC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000042562041 173303712 /nfs/dbraw/zinc/30/37/12/173303712.db2.gz NTHZVLHFGFDNDE-NEPJUHHUSA-N 2 0 249.358 1.792 10 0 BDAERP C[NH2+]C(C)(C)CN(C)C1CC[NH+](C)CC1 ZINC000061319486 173319089 /nfs/dbraw/zinc/31/90/89/173319089.db2.gz QUGQNHMVMFPZLG-UHFFFAOYSA-N 2 0 213.369 1.010 10 0 BDAERP C[NH2+]CC1CC[NH+]([C@H](C)c2cnn(C)c2)CC1 ZINC000063159207 173338393 /nfs/dbraw/zinc/33/83/93/173338393.db2.gz LCZPDLSMHOKEMR-LLVKDONJSA-N 2 0 236.363 1.413 10 0 BDAERP C[NH2+]CCCN(C)CCC[NH+]1CCCC1 ZINC000001657774 173346534 /nfs/dbraw/zinc/34/65/34/173346534.db2.gz ZGRVRROCGHZSRK-UHFFFAOYSA-N 2 0 213.369 1.014 10 0 BDAERP C[NH2+]CCC[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942440 173350385 /nfs/dbraw/zinc/35/03/85/173350385.db2.gz GTVCPWWYDUVBCF-UONOGXRCSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH2+]C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571569 173364640 /nfs/dbraw/zinc/36/46/40/173364640.db2.gz YUMURYOXTSLYEQ-LLVKDONJSA-N 2 0 213.369 1.010 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823135 173370911 /nfs/dbraw/zinc/37/09/11/173370911.db2.gz JVRHZYQFTCMPBO-STQMWFEESA-N 2 0 240.391 1.875 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCC2)O1 ZINC000052421285 173371700 /nfs/dbraw/zinc/37/17/00/173371700.db2.gz WAGDNCGTJVKNGD-NWDGAFQWSA-N 2 0 212.337 1.239 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H](C)C2)CCCOC1 ZINC000104321314 173373513 /nfs/dbraw/zinc/37/35/13/173373513.db2.gz YDHYMBGQOLOLAX-ZIAGYGMSSA-N 2 0 240.391 1.735 10 0 BDAERP C[NH2+]C[C@@]1(C[N@H+](C)[C@@H](C)CC(C)C)CCOC1 ZINC000051258512 173373628 /nfs/dbraw/zinc/37/36/28/173373628.db2.gz VVIWTGVEEVXYGQ-UONOGXRCSA-N 2 0 242.407 1.979 10 0 BDAERP C[NH2+]C[C@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC000019864112 173375881 /nfs/dbraw/zinc/37/58/81/173375881.db2.gz UVTBBGUQHKYGQN-AWEZNQCLSA-N 2 0 236.359 1.477 10 0 BDAERP C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2OC)C1 ZINC000011892004 173381788 /nfs/dbraw/zinc/38/17/88/173381788.db2.gz HQCZEQTULCKICY-CYBMUJFWSA-N 2 0 248.370 1.779 10 0 BDAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@H]2C)on1 ZINC000052375813 173386646 /nfs/dbraw/zinc/38/66/46/173386646.db2.gz XCFQOKHOMVZRJN-SECBINFHSA-N 2 0 209.293 1.378 10 0 BDAERP C[NH2+]Cc1cccc(OC)c1OCC[NH+](C)C ZINC000019777055 173389709 /nfs/dbraw/zinc/38/97/09/173389709.db2.gz AJPFVGVFKSPTTQ-UHFFFAOYSA-N 2 0 238.331 1.355 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484368 173391089 /nfs/dbraw/zinc/39/10/89/173391089.db2.gz AUHVWIIGXFIZIF-SNVBAGLBSA-N 2 0 208.305 1.841 10 0 BDAERP C[NH2+][C@@H](C)C1CC[NH+](CCc2cccnc2)CC1 ZINC000104429800 173414791 /nfs/dbraw/zinc/41/47/91/173414791.db2.gz PLEQKUISZJASCB-ZDUSSCGKSA-N 2 0 247.386 1.944 10 0 BDAERP COC1CC[NH+](C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000053858055 174029326 /nfs/dbraw/zinc/02/93/26/174029326.db2.gz VGTQVAWQOUOVBY-DGCLKSJQSA-N 2 0 226.364 1.615 10 0 BDAERP COC1CC[NH+](CC[C@@H]2CCC[NH2+]2)CC1 ZINC000042172038 174029331 /nfs/dbraw/zinc/02/93/31/174029331.db2.gz HEMOSQZSUHPOTK-NSHDSACASA-N 2 0 212.337 1.239 10 0 BDAERP COCC[N@H+](C)CC[C@H]([NH3+])c1ccccc1C ZINC000054022127 174279013 /nfs/dbraw/zinc/27/90/13/174279013.db2.gz KABOXLPHQZWXJK-AWEZNQCLSA-N 2 0 236.359 1.963 10 0 BDAERP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C1CC1 ZINC000042689365 174296929 /nfs/dbraw/zinc/29/69/29/174296929.db2.gz DIQOPSPZHWKIKC-CHWSQXEVSA-N 2 0 240.391 1.733 10 0 BDAERP COCC[N@H+]([C@@H](C)COC)[C@](C)(C[NH3+])C(C)C ZINC000042603107 174302196 /nfs/dbraw/zinc/30/21/96/174302196.db2.gz DMRJLJFPLKPMIR-QWHCGFSZSA-N 2 0 246.395 1.343 10 0 BDAERP COc1ccc(C)cc1[C@@H](C[NH3+])CC[NH+](C)C ZINC000041271833 175079973 /nfs/dbraw/zinc/07/99/73/175079973.db2.gz BKFSIOYFPFFIQI-GFCCVEGCSA-N 2 0 236.359 1.998 10 0 BDAERP COc1cccc(CC[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000011891365 175252056 /nfs/dbraw/zinc/25/20/56/175252056.db2.gz OKJRFPZOILQEAF-ZDUSSCGKSA-N 2 0 234.343 1.518 10 0 BDAERP C[C@@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049553822 175671937 /nfs/dbraw/zinc/67/19/37/175671937.db2.gz JJKOFENTPLCLAA-MELADBBJSA-N 2 0 241.423 1.647 10 0 BDAERP C[C@@H]([NH2+]C[C@@H](O)CC[NH3+])c1ccccc1 ZINC000071511319 175886699 /nfs/dbraw/zinc/88/66/99/175886699.db2.gz WTRQVUVAVOVVKA-PWSUYJOCSA-N 2 0 208.305 1.047 10 0 BDAERP C[C@@H](c1ccc[nH]1)[NH+]1CCC(C[NH3+])CC1 ZINC000095068276 176017272 /nfs/dbraw/zinc/01/72/72/176017272.db2.gz XWEFAMMZBNAMMG-JTQLQIEISA-N 2 0 207.321 1.746 10 0 BDAERP C[C@@H]1CCC[C@H]([NH2+]CCN(C)CC[NH+](C)C)C1 ZINC000104202160 176143243 /nfs/dbraw/zinc/14/32/43/176143243.db2.gz NZXJDYRKXTUFOD-KGLIPLIRSA-N 2 0 241.423 1.648 10 0 BDAERP C[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)CC[C@@H](C)[NH2+]1 ZINC000049667039 176180885 /nfs/dbraw/zinc/18/08/85/176180885.db2.gz SDKZHYDVHCKDRP-MGPQQGTHSA-N 2 0 239.407 1.543 10 0 BDAERP C[C@@H]1C[NH+](CCCCC[NH3+])C[C@@H](C)O1 ZINC000049580596 176287747 /nfs/dbraw/zinc/28/77/47/176287747.db2.gz CVTPSRHBNUNVFZ-GHMZBOCLSA-N 2 0 200.326 1.225 10 0 BDAERP C[C@@H]1C[N@H+](CCc2ccco2)CC[C@@H]1[NH3+] ZINC000049713499 176294768 /nfs/dbraw/zinc/29/47/68/176294768.db2.gz CLSBHJRVFZTYPK-PWSUYJOCSA-N 2 0 208.305 1.491 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)[C@H](C)CO1 ZINC000035782862 176302638 /nfs/dbraw/zinc/30/26/38/176302638.db2.gz WUAUNZNPPACHTA-VXGBXAGGSA-N 2 0 234.343 1.755 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccccc2C[NH3+])[C@H](C)CO1 ZINC000035782866 176306945 /nfs/dbraw/zinc/30/69/45/176306945.db2.gz CDFIKLOZWSRSTN-VXGBXAGGSA-N 2 0 234.343 1.755 10 0 BDAERP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)C2)S1 ZINC000044538314 176323794 /nfs/dbraw/zinc/32/37/94/176323794.db2.gz SRCNHYBCDYBNQM-ZJUUUORDSA-N 2 0 227.377 1.409 10 0 BDAERP C[C@@H]1C[NH2+]CCCN(C2CC[NH+](C)CC2)C1 ZINC000049665943 176324405 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ZINC000049667047 177285933 /nfs/dbraw/zinc/28/59/33/177285933.db2.gz WJSCNCGKRFIQIG-HZSPNIEDSA-N 2 0 239.407 1.258 10 0 BDAERP C[C@H]1CSC(NC[C@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000037485240 177303241 /nfs/dbraw/zinc/30/32/41/177303241.db2.gz MLBNXSIDYPKPNR-DTWKUNHWSA-N 2 0 213.350 1.019 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051997779 177371222 /nfs/dbraw/zinc/37/12/22/177371222.db2.gz KOELBPBYNFOFEM-BJJPWKGXSA-N 2 0 240.391 1.608 10 0 BDAERP C[NH+](C)[C@@H]1c2ccccc2[C@H]2C[NH2+]C[C@@H]21 ZINC000503713010 226333190 /nfs/dbraw/zinc/33/31/90/226333190.db2.gz LARBTBMLXIIAFQ-FRRDWIJNSA-N 2 0 202.301 1.606 10 0 BDAERP C[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000400334368 226341106 /nfs/dbraw/zinc/34/11/06/226341106.db2.gz GYHMJWYROYAQAT-MGPQQGTHSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@@H]([NH2+]CCOCC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400356706 226341868 /nfs/dbraw/zinc/34/18/68/226341868.db2.gz OQHHQRDJEKZVKN-OCCSQVGLSA-N 2 0 240.391 1.781 10 0 BDAERP Cc1cccc(OCC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400435503 226343546 /nfs/dbraw/zinc/34/35/46/226343546.db2.gz LCRMZRAZUNWVKM-KBPBESRZSA-N 2 0 248.370 1.961 10 0 BDAERP C[C@@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400513197 226345316 /nfs/dbraw/zinc/34/53/16/226345316.db2.gz MDLZHPVBTPMVDA-DGCLKSJQSA-N 2 0 236.334 1.956 10 0 BDAERP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400721343 226350092 /nfs/dbraw/zinc/35/00/92/226350092.db2.gz ONTQVTPYOSYLJR-IJLUTSLNSA-N 2 0 214.353 1.245 10 0 BDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H]1CC[NH2+]C1 ZINC000251603650 487775473 /nfs/dbraw/zinc/77/54/73/487775473.db2.gz DEMDAZZJOXXXPM-HZSPNIEDSA-N 2 0 237.391 1.155 10 0 BDAERP CSCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000228877534 640900847 /nfs/dbraw/zinc/90/08/47/640900847.db2.gz ZSXSKTYKVNKCEB-MNOVXSKESA-N 2 0 216.394 1.860 10 0 BDAERP C[C@@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000569918727 323044279 /nfs/dbraw/zinc/04/42/79/323044279.db2.gz 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1.535 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000306708199 527821118 /nfs/dbraw/zinc/82/11/18/527821118.db2.gz SNDIWFIHFNNRCZ-BBBLOLIVSA-N 2 0 214.378 1.597 10 0 BDAERP CCSCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400509332 529177880 /nfs/dbraw/zinc/17/78/80/529177880.db2.gz ITSVFCZNSQHBOU-MNOVXSKESA-N 2 0 216.394 1.717 10 0 BDAERP CCSCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400509329 529178240 /nfs/dbraw/zinc/17/82/40/529178240.db2.gz ITSVFCZNSQHBOU-GHMZBOCLSA-N 2 0 216.394 1.717 10 0 BDAERP CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226858207 534949126 /nfs/dbraw/zinc/94/91/26/534949126.db2.gz MPZDMQJLKSABTF-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP CC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368417 535566202 /nfs/dbraw/zinc/56/62/02/535566202.db2.gz NPCMPOZRBVVJJZ-LLVKDONJSA-N 2 0 234.347 1.584 10 0 BDAERP C[NH+](C)CCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252693126 535832674 /nfs/dbraw/zinc/83/26/74/535832674.db2.gz HFOPSLFBLKDIOM-ZDUSSCGKSA-N 2 0 225.380 1.108 10 0 BDAERP CO[C@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000335617279 536826803 /nfs/dbraw/zinc/82/68/03/536826803.db2.gz YGUIARPTPJWQSN-RYUDHWBXSA-N 2 0 224.348 1.286 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CCCF)C1 ZINC000757131035 582506029 /nfs/dbraw/zinc/50/60/29/582506029.db2.gz OYCHGJSXRCGDTB-NWDGAFQWSA-N 2 0 214.328 1.810 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@@](C)(CC)CCO2 ZINC000757146945 582530417 /nfs/dbraw/zinc/53/04/17/582530417.db2.gz LWCSHKQGGFAKLF-LBPRGKRZSA-N 2 0 226.364 1.977 10 0 BDAERP CC1(C)CCC[C@@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757153444 582537235 /nfs/dbraw/zinc/53/72/35/582537235.db2.gz WQCZFCYMCSYRNO-CYBMUJFWSA-N 2 0 224.348 1.635 10 0 BDAERP [NH3+]C[C@H]1CC[C@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757209844 582560051 /nfs/dbraw/zinc/56/00/51/582560051.db2.gz DDCANYMKXXVDEZ-DGCLKSJQSA-N 2 0 218.300 1.499 10 0 BDAERP [NH3+]Cc1ccc([C@H]2[NH2+]CCC[C@H]2C[NH3+])cc1 ZINC000757217832 582561453 /nfs/dbraw/zinc/56/14/53/582561453.db2.gz SUYSEIQXWSAUBV-QWHCGFSZSA-N 3 0 219.332 1.145 10 0 BDAERP CC(=O)c1cccc([C@@H]2C[C@@H](C[NH3+])CC[NH2+]2)c1 ZINC000757218028 582562796 /nfs/dbraw/zinc/56/27/96/582562796.db2.gz UTRGCHDQFWOCLN-FZMZJTMJSA-N 2 0 232.327 1.889 10 0 BDAERP C[C@H]1CN2C(=[NH+]1)N=CC=C2[C@H]1CCC[NH2+]C1 ZINC000235697581 582603184 /nfs/dbraw/zinc/60/31/84/582603184.db2.gz WMHSDAPIAFKQMB-UWVGGRQHSA-N 2 0 218.304 1.014 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@H]1N1CCC[C@@H]([NH+](C)C)C1 ZINC000396683585 583088449 /nfs/dbraw/zinc/08/84/49/583088449.db2.gz WYQIUYIDKVRRHC-YNEHKIRRSA-N 2 0 225.380 1.153 10 0 BDAERP CO[C@@H]1C[NH2+][C@H](CN(C(C)C)C(C)C)C1 ZINC000675054299 583929710 /nfs/dbraw/zinc/92/97/10/583929710.db2.gz FYKPQKSVLDKMAW-RYUDHWBXSA-N 2 0 214.353 1.482 10 0 BDAERP c1cn2c([nH+]1)N[C@@H]([C@@H]1CCC[NH2+]C1)CC2 ZINC000232461408 585031013 /nfs/dbraw/zinc/03/10/13/585031013.db2.gz FDOAVEVNONGBTO-NXEZZACHSA-N 2 0 206.293 1.067 10 0 BDAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC[C@H](C)O2 ZINC000757145717 586428498 /nfs/dbraw/zinc/42/84/98/586428498.db2.gz QGLKLZSUGCRFHI-LBPRGKRZSA-N 2 0 226.364 1.833 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757150762 586429070 /nfs/dbraw/zinc/42/90/70/586429070.db2.gz SDAYOAOQXGLIRC-GFCCVEGCSA-N 2 0 224.348 1.444 10 0 BDAERP CC[C@H]1CC[NH2+][C@@]2(CCC[N@H+](C)CC2)O1 ZINC000757150835 586429149 /nfs/dbraw/zinc/42/91/49/586429149.db2.gz ZAFRWIZBASRQJD-RYUDHWBXSA-N 2 0 212.337 1.587 10 0 BDAERP COC(=O)[C@H]1CC[NH2+][C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757210830 586438827 /nfs/dbraw/zinc/43/88/27/586438827.db2.gz HKAJSVRONFAZJX-STQMWFEESA-N 2 0 248.326 1.359 10 0 BDAERP CC(=O)c1ccc([C@@H]2C[C@@H](C[NH3+])CC[NH2+]2)cc1 ZINC000757213430 586439848 /nfs/dbraw/zinc/43/98/48/586439848.db2.gz KEJBMRJCTQLXQF-FZMZJTMJSA-N 2 0 232.327 1.889 10 0 BDAERP CC(=O)c1ccc([C@H]2C[C@H](C[NH3+])CC[NH2+]2)cc1 ZINC000757213428 586439911 /nfs/dbraw/zinc/43/99/11/586439911.db2.gz KEJBMRJCTQLXQF-BXUZGUMPSA-N 2 0 232.327 1.889 10 0 BDAERP C[C@@H]1CN[C@H](c2cccc(N)c2)[C@H]([NH3+])C1 ZINC000757215240 586440399 /nfs/dbraw/zinc/44/03/99/586440399.db2.gz MUHLVZWWCCQJLT-XXILOJSOSA-N 2 0 205.305 1.267 10 0 BDAERP Nc1cccc([C@H]2[NH2+]CCC[C@@H]2C[NH3+])c1 ZINC000757215397 586440733 /nfs/dbraw/zinc/44/07/33/586440733.db2.gz NIFAOGOMKGNTLC-ZYHUDNBSSA-N 2 0 205.305 1.268 10 0 BDAERP CC(=O)c1ccc([C@@H]2C[C@H]([NH3+])CC[NH2+]2)cc1 ZINC000757218770 586441573 /nfs/dbraw/zinc/44/15/73/586441573.db2.gz WZZXVZBOSZUXTB-OLZOCXBDSA-N 2 0 218.300 1.641 10 0 BDAERP C[C@@H]1N[C@H](c2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000757217719 586441636 /nfs/dbraw/zinc/44/16/36/586441636.db2.gz SDEIQVAUWPLADC-BIMULSAOSA-N 2 0 219.332 1.286 10 0 BDAERP [NH3+]C[C@@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757219964 586442024 /nfs/dbraw/zinc/44/20/24/586442024.db2.gz ZLXJTMVYHDJBKB-DGCLKSJQSA-N 2 0 218.300 1.151 10 0 BDAERP CCn1cc([C@@H]2[NH2+][C@@H](C)CC[C@@H]2C[NH3+])cn1 ZINC000757231200 586443284 /nfs/dbraw/zinc/44/32/84/586443284.db2.gz GYQHKSYBUQKVNM-HOSYDEDBSA-N 2 0 222.336 1.291 10 0 BDAERP CCn1cc([C@@H]2[NH2+][C@H](C)C[C@@H](C)[C@H]2C[NH3+])cn1 ZINC000757243247 586445261 /nfs/dbraw/zinc/44/52/61/586445261.db2.gz ZXRDWJGXIUBCJA-WFFHOREQSA-N 2 0 236.363 1.537 10 0 BDAERP C[C@H](CN[C@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000129161736 591266881 /nfs/dbraw/zinc/26/68/81/591266881.db2.gz CWAMDSHSKZRHIR-KGLIPLIRSA-N 2 0 239.407 1.593 10 0 BDAERP C[C@H](O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000235545029 632779191 /nfs/dbraw/zinc/77/91/91/632779191.db2.gz VLAGUUFBZGRGRI-NSHDSACASA-N 2 0 226.364 1.221 10 0 BDAERP Oc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000162934718 635200525 /nfs/dbraw/zinc/20/05/25/635200525.db2.gz JFYUDUMCKAHFHD-GFCCVEGCSA-N 2 0 220.316 1.624 10 0 BDAERP [NH3+]C1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000044677392 640452030 /nfs/dbraw/zinc/45/20/30/640452030.db2.gz AWZPUSCXGCTCSF-KGLIPLIRSA-N 2 0 216.328 1.966 10 0 BDAERP Cc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000227645646 640843044 /nfs/dbraw/zinc/84/30/44/640843044.db2.gz SVHHSVOJFSFLSM-MNOVXSKESA-N 2 0 205.305 1.929 10 0 BDAERP Cc1c[nH+]ccc1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227648379 640843119 /nfs/dbraw/zinc/84/31/19/640843119.db2.gz IRHXSFLUNINETI-MNOVXSKESA-N 2 0 205.305 1.929 10 0 BDAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000074143548 643475501 /nfs/dbraw/zinc/47/55/01/643475501.db2.gz IRCGTRALIPHMPV-RYUDHWBXSA-N 2 0 212.337 1.369 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000713586812 712466221 /nfs/dbraw/zinc/46/62/21/712466221.db2.gz ONDWDWDFQDKTFU-AGIUHOORSA-N 2 0 240.391 1.718 10 0 BDAERP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000723633752 711527934 /nfs/dbraw/zinc/52/79/34/711527934.db2.gz LNVUHCZNLMXOJH-TUAOUCFPSA-N 2 0 235.331 1.461 10 0 BDAERP [NH3+][C@@H](CC(F)F)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000310082251 711707890 /nfs/dbraw/zinc/70/78/90/711707890.db2.gz KIJGZKYHWGIFKV-QWRGUYRKSA-N 2 0 247.333 1.139 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CC[NH2+]C1 ZINC000722323087 711737088 /nfs/dbraw/zinc/73/70/88/711737088.db2.gz WHCKWZVLGSLQHK-GHYVTOPFSA-N 2 0 238.375 1.532 10 0 BDAERP C(C[NH2+]C1CC1)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227373199 711832284 /nfs/dbraw/zinc/83/22/84/711832284.db2.gz QODRXXYOROSICW-CQSZACIVSA-N 2 0 237.391 1.299 10 0 BDAERP Cc1ccc(OCC[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000708839366 712200708 /nfs/dbraw/zinc/20/07/08/712200708.db2.gz CWDHGJGCJISVIS-KGLIPLIRSA-N 2 0 248.370 1.900 10 0 BDAERP Cc1ccccc1OCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708841593 712200751 /nfs/dbraw/zinc/20/07/51/712200751.db2.gz UFHSLZLURUIKSD-KGLIPLIRSA-N 2 0 248.370 1.900 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000708859008 712201174 /nfs/dbraw/zinc/20/11/74/712201174.db2.gz SVTAQJMCUAKMBO-GWCFXTLKSA-N 2 0 244.342 1.590 10 0 BDAERP COCC1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000713978453 712476258 /nfs/dbraw/zinc/47/62/58/712476258.db2.gz PDHQFHMAMTZIKP-XLICRZQSSA-N 2 0 238.375 1.389 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H](COC)C(C)C)CC1 ZINC000714753642 712497870 /nfs/dbraw/zinc/49/78/70/712497870.db2.gz MDKCXJXQSYWCPE-GFCCVEGCSA-N 2 0 228.380 1.861 10 0 BDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718001240 712736021 /nfs/dbraw/zinc/73/60/21/712736021.db2.gz YBYDPZSACOMJPQ-MQYQWHSLSA-N 2 0 237.391 1.282 10 0 BDAERP CC(C)C1([NH+]2CCN(C)CC2)CC[NH2+]CC1 ZINC000685960701 538907851 /nfs/dbraw/zinc/90/78/51/538907851.db2.gz AACBFKOXHVZEGI-UHFFFAOYSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H](C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000207166693 538962310 /nfs/dbraw/zinc/96/23/10/538962310.db2.gz PFUAECFTLQVVSI-CYBMUJFWSA-N 2 0 248.370 1.608 10 0 BDAERP [NH3+][C@H]1CCC[C@@H]1[N@@H+]1CCCSCC1 ZINC000042444480 361999825 /nfs/dbraw/zinc/99/98/25/361999825.db2.gz ZNISZUCQEKNHOK-UWVGGRQHSA-N 2 0 200.351 1.305 10 0 BDAERP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000580314432 346896719 /nfs/dbraw/zinc/89/67/19/346896719.db2.gz SCJNZEZNCQFKRV-NWBUJAPZSA-N 2 0 208.349 1.763 10 0 BDAERP COC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000159220041 349754898 /nfs/dbraw/zinc/75/48/98/349754898.db2.gz DSDXCQGWOAKMAM-ZJUUUORDSA-N 2 0 200.326 1.081 10 0 BDAERP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000575564120 343079905 /nfs/dbraw/zinc/07/99/05/343079905.db2.gz AESYNSJGQAAOOB-KGLIPLIRSA-N 2 0 216.328 1.728 10 0 BDAERP c1cc(N2CC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000139211411 343075419 /nfs/dbraw/zinc/07/54/19/343075419.db2.gz MUWNISKMAGEHGA-UHFFFAOYSA-N 2 0 217.316 1.370 10 0 BDAERP Nc1cc[nH+]c(NCC[NH+]2CCCCC2)c1 ZINC000043569230 343170666 /nfs/dbraw/zinc/17/06/66/343170666.db2.gz WVGJXYLSDNEUKX-UHFFFAOYSA-N 2 0 220.320 1.562 10 0 BDAERP CC[NH+]1CCC(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000129199265 343176553 /nfs/dbraw/zinc/17/65/53/343176553.db2.gz CVPRPZQMIDLJBM-AWEZNQCLSA-N 3 0 239.407 1.450 10 0 BDAERP Cc1cccc(C[NH2+]CCC[NH2+]CCO)c1 ZINC000032500026 343236406 /nfs/dbraw/zinc/23/64/06/343236406.db2.gz QOJSZWPNZJCWPB-UHFFFAOYSA-N 2 0 222.332 1.057 10 0 BDAERP CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH3+] ZINC000033506768 343256245 /nfs/dbraw/zinc/25/62/45/343256245.db2.gz QBYBTRGJFDHZKL-CYBMUJFWSA-N 2 0 236.359 1.607 10 0 BDAERP CC(C)(C)[N@@H+]1CCCOC[C@H]1CC[NH3+] ZINC000616646041 343530549 /nfs/dbraw/zinc/53/05/49/343530549.db2.gz SDXMLTNYMHHKSA-SNVBAGLBSA-N 2 0 200.326 1.225 10 0 BDAERP CC(C)N1CC[C@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712057620 537783941 /nfs/dbraw/zinc/78/39/41/537783941.db2.gz DGLMUHSHIYHHNV-ZDUSSCGKSA-N 3 0 237.391 1.425 10 0 BDAERP C[NH+](C)CCCNc1cc(N)[nH+]c(C2CC2)n1 ZINC000126918346 343787234 /nfs/dbraw/zinc/78/72/34/343787234.db2.gz XKZSTOFUQWRSTA-UHFFFAOYSA-N 2 0 235.335 1.300 10 0 BDAERP CC(C)(C)C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000409424868 343817559 /nfs/dbraw/zinc/81/75/59/343817559.db2.gz ZFOOXYIODGZOBT-JTQLQIEISA-N 2 0 212.337 1.272 10 0 BDAERP CCOCC1(C)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000409435359 343833225 /nfs/dbraw/zinc/83/32/25/343833225.db2.gz UGKBOUNINFZZAT-UHFFFAOYSA-N 2 0 240.391 1.877 10 0 BDAERP CCOC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC1(C)C ZINC000409436150 343837348 /nfs/dbraw/zinc/83/73/48/343837348.db2.gz YJDJQNXOGWAWGS-GFCCVEGCSA-N 2 0 240.391 1.733 10 0 BDAERP C1C[C@H](N2CC[NH2+]CC2)[C@@H]([NH+]2CCCCC2)C1 ZINC000409439329 343847131 /nfs/dbraw/zinc/84/71/31/343847131.db2.gz GTZPOEMCPAMOOL-KBPBESRZSA-N 2 0 237.391 1.299 10 0 BDAERP C[C@H]([NH2+]CCN1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000570507931 323061602 /nfs/dbraw/zinc/06/16/02/323061602.db2.gz UUHORMSPDROIBN-KBPBESRZSA-N 2 0 237.391 1.226 10 0 BDAERP F[C@@H](C1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000158150076 344554591 /nfs/dbraw/zinc/55/45/91/344554591.db2.gz LHFRFDOWCJDBJS-QWRGUYRKSA-N 2 0 200.301 1.466 10 0 BDAERP F[C@@H](C1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000158150231 344554671 /nfs/dbraw/zinc/55/46/71/344554671.db2.gz LHFRFDOWCJDBJS-MNOVXSKESA-N 2 0 200.301 1.466 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH+]1CCC([NH3+])CC1 ZINC000235300017 344876138 /nfs/dbraw/zinc/87/61/38/344876138.db2.gz JJOWZEARAYCREZ-WPRPVWTQSA-N 2 0 200.351 1.304 10 0 BDAERP CC1(C)CC2(CC(C)(C)[NH2+]1)OCC[C@@H]2C[NH3+] ZINC000675079992 537902610 /nfs/dbraw/zinc/90/26/10/537902610.db2.gz JVFWSWINZWNMNV-SNVBAGLBSA-N 2 0 226.364 1.661 10 0 BDAERP C[NH+]1CCC(C[NH3+])(c2ccc(F)cc2)CC1 ZINC000033487120 345801231 /nfs/dbraw/zinc/80/12/31/345801231.db2.gz YXPJVUJAKSZCQU-UHFFFAOYSA-N 2 0 222.307 1.748 10 0 BDAERP [NH3+]CCCC[NH+](CCCC[NH3+])Cc1ccccc1 ZINC000137436182 345846317 /nfs/dbraw/zinc/84/63/17/345846317.db2.gz QVNKWJOALKSVPK-UHFFFAOYSA-N 3 0 249.402 1.966 10 0 BDAERP [NH3+]CCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000034416911 345828485 /nfs/dbraw/zinc/82/84/85/345828485.db2.gz RNIZKQNVMRVHBR-UHFFFAOYSA-N 2 0 234.343 1.319 10 0 BDAERP [NH3+]CCC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000034483269 345835068 /nfs/dbraw/zinc/83/50/68/345835068.db2.gz SPSLFOQECHOOKF-UHFFFAOYSA-N 2 0 234.343 1.879 10 0 BDAERP [NH3+]C[C@H]1CNC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000669378992 537973014 /nfs/dbraw/zinc/97/30/14/537973014.db2.gz RQQFAFSFTIVENT-STQMWFEESA-N 2 0 225.380 1.047 10 0 BDAERP C[C@@H]([NH3+])[C@@H](C)C[N@@H+]1CCCSCC1 ZINC000165074907 346638243 /nfs/dbraw/zinc/63/82/43/346638243.db2.gz SXFQBZGVQPHRCJ-VHSXEESVSA-N 2 0 202.367 1.409 10 0 BDAERP CC(C)[C@H](C)[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169128417 346753863 /nfs/dbraw/zinc/75/38/63/346753863.db2.gz YIKCLCIPUYALHV-VWYCJHECSA-N 2 0 200.326 1.079 10 0 BDAERP C[N@H+]([C@@H]1CCSC1)[C@H]1CCC[C@H]1[NH3+] ZINC000250430492 362803882 /nfs/dbraw/zinc/80/38/82/362803882.db2.gz QZJNARKNPAPNKJ-BBBLOLIVSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1C[C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)C1 ZINC000669381596 537994565 /nfs/dbraw/zinc/99/45/65/537994565.db2.gz OSFFGEWHKUTJOP-UPJWGTAASA-N 2 0 225.380 1.010 10 0 BDAERP Cc1ccccc1[C@@H]([NH3+])CCN1CC[NH+](C)CC1 ZINC000054015701 179324791 /nfs/dbraw/zinc/32/47/91/179324791.db2.gz RHNYXMKCVCFUHK-HNNXBMFYSA-N 2 0 247.386 1.632 10 0 BDAERP CC[C@@H]1C[N@@H+]([C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000251753009 362906587 /nfs/dbraw/zinc/90/65/87/362906587.db2.gz LLXDNUWGLUNJEG-VWYCJHECSA-N 2 0 214.378 1.551 10 0 BDAERP CCSC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000596653601 348607135 /nfs/dbraw/zinc/60/71/35/348607135.db2.gz WGAFDCLSLGPWEG-GHMZBOCLSA-N 2 0 228.405 1.860 10 0 BDAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2cccc(F)c2)C1 ZINC000006780163 350088186 /nfs/dbraw/zinc/08/81/86/350088186.db2.gz NTVLHMJXZIPRNF-WCQYABFASA-N 2 0 222.307 1.647 10 0 BDAERP CC(C)C[C@@H](C[NH+](C)C)NC1CC[NH2+]CC1 ZINC000038041432 350302533 /nfs/dbraw/zinc/30/25/33/350302533.db2.gz VSXZFTHUQXHFMT-ZDUSSCGKSA-N 2 0 227.396 1.304 10 0 BDAERP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000309379963 350361250 /nfs/dbraw/zinc/36/12/50/350361250.db2.gz RVHGFXGHOCMBAC-CMPLNLGQSA-N 2 0 226.364 1.220 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCCS2)CCC[NH2+]1 ZINC000251895506 362980115 /nfs/dbraw/zinc/98/01/15/362980115.db2.gz VXWQIFXPEQVHRI-GHMZBOCLSA-N 2 0 214.378 1.566 10 0 BDAERP [NH3+]CCN1CCC[C@@H](c2ccncn2)CC1 ZINC000616600228 350779697 /nfs/dbraw/zinc/77/96/97/350779697.db2.gz AMFYACKNPRAJCN-LLVKDONJSA-N 2 0 220.320 1.005 10 0 BDAERP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000306701722 350851049 /nfs/dbraw/zinc/85/10/49/350851049.db2.gz HDJVVGLCQZERFX-NXEZZACHSA-N 2 0 216.394 1.940 10 0 BDAERP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616663006 351214913 /nfs/dbraw/zinc/21/49/13/351214913.db2.gz NXATYESHYGASAD-CYBMUJFWSA-N 2 0 220.316 1.236 10 0 BDAERP C[C@@H]1C[N@@H+](C2CSC2)C[C@]1(C)C[NH3+] ZINC000307030468 351431918 /nfs/dbraw/zinc/43/19/18/351431918.db2.gz PNHLAICTZZPUTE-SCZZXKLOSA-N 2 0 200.351 1.019 10 0 BDAERP C[C@@H](CNC1=[NH+][C@@H](C)[C@@H](C)S1)[NH+](C)C ZINC000307037350 351439107 /nfs/dbraw/zinc/43/91/07/351439107.db2.gz GAXRLQFTWOPJNJ-XHNCKOQMSA-N 2 0 215.366 1.406 10 0 BDAERP [NH3+][C@H]1CC12CCC([N@@H+]1CCC[C@H](CO)C1)CC2 ZINC000725270443 538102100 /nfs/dbraw/zinc/10/21/00/538102100.db2.gz NAFFQNMCSRCWNF-AHPWVWPOSA-N 2 0 238.375 1.351 10 0 BDAERP CS[C@@H]1CC[N@@H+]([C@H]2CC[C@H]([NH3+])C2)C1 ZINC000307508433 352627366 /nfs/dbraw/zinc/62/73/66/352627366.db2.gz NJCRPUNLTSXDCE-LPEHRKFASA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H]([NH3+])C1CC[NH+](C2CSC2)CC1 ZINC000307500666 352627729 /nfs/dbraw/zinc/62/77/29/352627729.db2.gz MKRVIYYKMDCTBJ-QMMMGPOBSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@H]1C[C@H](NC(N)=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC000307693607 352964834 /nfs/dbraw/zinc/96/48/34/352964834.db2.gz XHWQSATTWAFOOF-JQWIXIFHSA-N 2 0 232.331 1.132 10 0 BDAERP [NH3+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000042432738 188293280 /nfs/dbraw/zinc/29/32/80/188293280.db2.gz WNQZZIGYKMXIFT-ZDUSSCGKSA-N 2 0 220.316 1.102 10 0 BDAERP CN1CCC[C@@H]([N@H+](C)Cc2cccc(C[NH3+])c2)C1 ZINC000053205827 188300287 /nfs/dbraw/zinc/30/02/87/188300287.db2.gz ZCEROLGZVMFKSK-OAHLLOKOSA-N 2 0 247.386 1.671 10 0 BDAERP CN(Cc1ccc(C[NH3+])o1)[C@@H]1CCC[N@H+](C)C1 ZINC000053249420 188300433 /nfs/dbraw/zinc/30/04/33/188300433.db2.gz LSLVSDSTZKTAII-LLVKDONJSA-N 2 0 237.347 1.264 10 0 BDAERP c1ccc2c(c1)CN(C1CC[NH2+]CC1)C=[NH+]2 ZINC000095079604 188319071 /nfs/dbraw/zinc/31/90/71/188319071.db2.gz CXZJHMUJXXGJBZ-UHFFFAOYSA-N 2 0 215.300 1.914 10 0 BDAERP C[NH+](C)CCOCc1ccc(C[NH3+])cc1 ZINC000052669627 188333933 /nfs/dbraw/zinc/33/39/33/188333933.db2.gz YKBCTYXWTYRVEF-UHFFFAOYSA-N 2 0 208.305 1.224 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CCN1C ZINC000309145447 188343493 /nfs/dbraw/zinc/34/34/93/188343493.db2.gz VCFSNICJBHDXQK-BDAKNGLRSA-N 2 0 218.291 1.856 10 0 BDAERP CC1=CCN(C[C@H]2CSCC[NH2+]2)CC1 ZINC000166160267 355308437 /nfs/dbraw/zinc/30/84/37/355308437.db2.gz WTMKCCDTUPFCBI-NSHDSACASA-N 2 0 212.362 1.343 10 0 BDAERP NC(=[NH2+])NC(=[NH2+])Nc1cccc2ccc(O)cc21 ZINC000035052462 181190249 /nfs/dbraw/zinc/19/02/49/181190249.db2.gz HOGDMMZTOLIYGR-UHFFFAOYSA-N 2 0 243.270 1.375 10 0 BDAERP NC(=[NH2+])c1ccc(C[NH+]2CCCC2)c(F)c1 ZINC000019485411 181194498 /nfs/dbraw/zinc/19/44/98/181194498.db2.gz FDMMDTNBMXFOHL-UHFFFAOYSA-N 2 0 221.279 1.706 10 0 BDAERP Cc1n[nH]cc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000335863825 355627694 /nfs/dbraw/zinc/62/76/94/355627694.db2.gz QRIMKRSURPGUJO-LBPRGKRZSA-N 2 0 222.336 1.292 10 0 BDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324568475 356400931 /nfs/dbraw/zinc/40/09/31/356400931.db2.gz VYXBVVQWWPFWRQ-GRYCIOLGSA-N 2 0 228.380 1.514 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2c(C[NH3+])cnn2C)[C@@H]1C ZINC000675056005 538477321 /nfs/dbraw/zinc/47/73/21/538477321.db2.gz HTNHSNVMARDLHZ-GHMZBOCLSA-N 2 0 236.363 1.499 10 0 BDAERP [NH3+][C@H]1C=C(c2cc(F)ccc2Cl)CNC1 ZINC000675078543 538516347 /nfs/dbraw/zinc/51/63/47/538516347.db2.gz QLHDARZSLIMSPK-VIFPVBQESA-N 2 0 226.682 1.793 10 0 BDAERP CC(C)[NH+]1CCC2(CC1)OCC[C@@H]2C[NH3+] ZINC000675080193 538519225 /nfs/dbraw/zinc/51/92/25/538519225.db2.gz MKJWVZBWMODCPW-LLVKDONJSA-N 2 0 212.337 1.225 10 0 BDAERP Cc1cccc(NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000389898113 357062979 /nfs/dbraw/zinc/06/29/79/357062979.db2.gz NEAGOBAPDOAGBM-NSHDSACASA-N 2 0 221.304 1.180 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CCCSC2)C[C@@H]1[NH3+] ZINC000300048887 357177572 /nfs/dbraw/zinc/17/75/72/357177572.db2.gz NMHZBGBOMZIEPC-UTLUCORTSA-N 2 0 200.351 1.161 10 0 BDAERP C[NH2+]Cc1csc(-c2cccc(C[NH3+])c2)n1 ZINC000685948435 538891295 /nfs/dbraw/zinc/89/12/95/538891295.db2.gz NYOVBJILQHXCCP-UHFFFAOYSA-N 2 0 233.340 1.988 10 0 BDAERP Cc1c[nH+]cc(C)c1N1CC[NH2+][C@@H](C)[C@H]1C ZINC000685951397 538894484 /nfs/dbraw/zinc/89/44/84/538894484.db2.gz SEGAJXKXEZZCEB-NWDGAFQWSA-N 2 0 219.332 1.885 10 0 BDAERP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000230946197 358412533 /nfs/dbraw/zinc/41/25/33/358412533.db2.gz HNZZRMZYWVCUBL-VXGBXAGGSA-N 2 0 214.353 1.173 10 0 BDAERP C[C@@H]([NH3+])CC[N@@H+]1CCSC(C)(C)CC1 ZINC000231052045 358578790 /nfs/dbraw/zinc/57/87/90/358578790.db2.gz KGPUPMGVMXMBEY-SNVBAGLBSA-N 2 0 216.394 1.941 10 0 BDAERP C[C@@H](CN1CCC(F)(F)C1)C1C[NH2+]C1 ZINC000306240690 359418510 /nfs/dbraw/zinc/41/85/10/359418510.db2.gz QZCORIFGLNYDLT-QMMMGPOBSA-N 2 0 204.264 1.183 10 0 BDAERP C[C@H](CN1CCC(F)(F)C1)C1C[NH2+]C1 ZINC000306240689 359419075 /nfs/dbraw/zinc/41/90/75/359419075.db2.gz QZCORIFGLNYDLT-MRVPVSSYSA-N 2 0 204.264 1.183 10 0 BDAERP CC(C)Cn1cc([C@@H]2[NH2+]CC23CC[NH2+]CC3)cn1 ZINC000536956831 360007593 /nfs/dbraw/zinc/00/75/93/360007593.db2.gz AKLMSAAZRSOUGU-ZDUSSCGKSA-N 2 0 248.374 1.553 10 0 BDAERP CC(C)C[C@H](CN(C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000094085906 360295058 /nfs/dbraw/zinc/29/50/58/360295058.db2.gz ZXAINMHJGDTPSN-JXQTWKCFSA-N 2 0 241.423 1.822 10 0 BDAERP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCNC1 ZINC000306584516 360482138 /nfs/dbraw/zinc/48/21/38/360482138.db2.gz QCNMWDALQYRLHX-OPRDCNLKSA-N 2 0 200.351 1.080 10 0 BDAERP C[C@@H](CC[NH2+]CCO)[N@H+](C)Cc1ccccc1 ZINC000306584031 360483418 /nfs/dbraw/zinc/48/34/18/360483418.db2.gz FXNIQOJUKLXVBW-ZDUSSCGKSA-N 2 0 236.359 1.479 10 0 BDAERP O[C@]1([C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306599394 360520988 /nfs/dbraw/zinc/52/09/88/360520988.db2.gz YMVQPRCIHLYPPQ-LSDHHAIUSA-N 2 0 246.354 1.375 10 0 BDAERP CCC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[NH+](C)C ZINC000162911308 361186616 /nfs/dbraw/zinc/18/66/16/361186616.db2.gz KOWOCLCICRTTSI-NSHDSACASA-N 2 0 243.395 1.221 10 0 BDAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000579227550 366738288 /nfs/dbraw/zinc/73/82/88/366738288.db2.gz OXTRFMRFUNNBCV-QWHCGFSZSA-N 2 0 242.407 1.715 10 0 BDAERP FC1(F)C[C@H]1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000622044060 370675717 /nfs/dbraw/zinc/67/57/17/370675717.db2.gz SZXRTCIOKAMTFO-NXEZZACHSA-N 2 0 218.291 1.763 10 0 BDAERP [NH3+]C1(CN2CC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC000104181012 181331453 /nfs/dbraw/zinc/33/14/53/181331453.db2.gz FZYCMDIRJWMYIO-CYBMUJFWSA-N 2 0 237.391 1.428 10 0 BDAERP [NH3+]C1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000049539012 181341468 /nfs/dbraw/zinc/34/14/68/181341468.db2.gz WMWZGKJZMMFKPT-UHFFFAOYSA-N 2 0 225.361 1.750 10 0 BDAERP [NH3+]C1CCC([NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000095072140 181341600 /nfs/dbraw/zinc/34/16/00/181341600.db2.gz JREKBTAHPHKVRN-UHFFFAOYSA-N 2 0 240.738 1.490 10 0 BDAERP CO[C@H]1CN(Cc2ccncc2)[C@](C)(C[NH3+])C1 ZINC000630367287 364084408 /nfs/dbraw/zinc/08/44/08/364084408.db2.gz NNAWHQBXHHSIPR-OLZOCXBDSA-N 2 0 235.331 1.020 10 0 BDAERP CO[C@@H]1CN(Cc2ncccc2C)[C@](C)(C[NH3+])C1 ZINC000630367412 364084976 /nfs/dbraw/zinc/08/49/76/364084976.db2.gz OJNKWHAYSJEYFB-JSGCOSHPSA-N 2 0 249.358 1.328 10 0 BDAERP C[C@]1([NH3+])CC=C(c2ccc(C[NH3+])c(F)n2)CC1 ZINC000725271718 541339594 /nfs/dbraw/zinc/33/95/94/541339594.db2.gz AYJWFRCPNCDZEA-ZDUSSCGKSA-N 2 0 235.306 1.964 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCC[C@H](CO)C2)CCCCC1 ZINC000051206154 181358887 /nfs/dbraw/zinc/35/88/87/181358887.db2.gz UREPYCKCUYUGBG-ZDUSSCGKSA-N 2 0 240.391 1.600 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630554994 364252757 /nfs/dbraw/zinc/25/27/57/364252757.db2.gz XULAMVXFESMXAM-MNOVXSKESA-N 2 0 205.305 1.421 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCC[C@@H](O)C2)CCCCC1 ZINC000051257059 181359468 /nfs/dbraw/zinc/35/94/68/181359468.db2.gz DRKDDOSNLIKJFE-GFCCVEGCSA-N 2 0 226.364 1.352 10 0 BDAERP [NH3+]CC1(Nc2ccccc2)CC[NH2+]CC1 ZINC000033607509 181362050 /nfs/dbraw/zinc/36/20/50/181362050.db2.gz ZTXCELVEIDRPHK-UHFFFAOYSA-N 2 0 205.305 1.179 10 0 BDAERP [NH3+]CC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC000038343313 181365614 /nfs/dbraw/zinc/36/56/14/181365614.db2.gz ODTCKUVAXHEKBJ-YHWZYXNKSA-N 2 0 208.349 1.988 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)[C@H]1CCC[NH2+]C1 ZINC000573555639 364858036 /nfs/dbraw/zinc/85/80/36/364858036.db2.gz LVXLQCIBXUDVPO-XDQVBPFNSA-N 2 0 240.391 1.515 10 0 BDAERP [NH3+]CCC1CC[NH+](CCCn2ccnc2)CC1 ZINC000042427824 181371621 /nfs/dbraw/zinc/37/16/21/181371621.db2.gz NSKILRGJWMLKTG-UHFFFAOYSA-N 2 0 236.363 1.334 10 0 BDAERP [NH3+]CCc1ccc(C[NH+]2CCCC2)cc1 ZINC000039280027 181411829 /nfs/dbraw/zinc/41/18/29/181411829.db2.gz VBYIYDQHYIBKLT-UHFFFAOYSA-N 2 0 204.317 1.784 10 0 BDAERP C[C@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576209062 365522140 /nfs/dbraw/zinc/52/21/40/365522140.db2.gz OJKYJZPVXVLEMT-FRRDWIJNSA-N 2 0 227.396 1.304 10 0 BDAERP CCc1cn2c([nH+]1)NC[C@H]1C[NH2+]CC[C@H]12 ZINC000234200807 541512165 /nfs/dbraw/zinc/51/21/65/541512165.db2.gz MBHHHZMRKYNEIP-PSASIEDQSA-N 2 0 206.293 1.022 10 0 BDAERP CCC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000565769205 325953402 /nfs/dbraw/zinc/95/34/02/325953402.db2.gz QUPCGDVJTGLLLK-MGPQQGTHSA-N 2 0 242.407 1.763 10 0 BDAERP Cc1c[nH+]ccc1N[C@@H](CC[NH3+])C(F)F ZINC000383480377 367626022 /nfs/dbraw/zinc/62/60/22/367626022.db2.gz NXTKYLKXKAFBDK-VIFPVBQESA-N 2 0 215.247 1.206 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[NH2+]1 ZINC000386028599 367900350 /nfs/dbraw/zinc/90/03/50/367900350.db2.gz QFXLAEPQVDCHGK-FQUUOJAGSA-N 2 0 240.391 1.658 10 0 BDAERP [NH3+]C[C@H]1C[NH2+]C[C@@H](COc2ccccc2)C1 ZINC000038458045 368326792 /nfs/dbraw/zinc/32/67/92/368326792.db2.gz RPHGNNWPPGODRX-RYUDHWBXSA-N 2 0 220.316 1.250 10 0 BDAERP [NH3+]C[C@@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425002 181436198 /nfs/dbraw/zinc/43/61/98/181436198.db2.gz GICXRICGDQZIQX-QWHCGFSZSA-N 2 0 226.364 1.759 10 0 BDAERP CO[C@H](C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000631836832 369084545 /nfs/dbraw/zinc/08/45/45/369084545.db2.gz HQWKNAMIYXMLGD-NWANDNLSSA-N 2 0 248.370 1.901 10 0 BDAERP [NH3+]C[C@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052424999 181465548 /nfs/dbraw/zinc/46/55/48/181465548.db2.gz GICXRICGDQZIQX-OLZOCXBDSA-N 2 0 226.364 1.759 10 0 BDAERP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000567647066 326238081 /nfs/dbraw/zinc/23/80/81/326238081.db2.gz QVCQXMOIBLHKML-AVGNSLFASA-N 2 0 242.407 1.761 10 0 BDAERP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1C[NH3+] ZINC000631840759 369311745 /nfs/dbraw/zinc/31/17/45/369311745.db2.gz VGJMSUJULZLNQX-PWSUYJOCSA-N 2 0 205.305 1.108 10 0 BDAERP CCCC[NH+](CCCC)C[C@@H](O)C[NH3+] ZINC000020485082 168806517 /nfs/dbraw/zinc/80/65/17/168806517.db2.gz NLOPYGABSLJYJQ-NSHDSACASA-N 2 0 202.342 1.208 10 0 BDAERP C[C@@H]1SCC[N@H+](C/C=C/C[NH3+])[C@H]1C ZINC000132430001 371818550 /nfs/dbraw/zinc/81/85/50/371818550.db2.gz APSZLGCSQMPINC-OHINUGQQSA-N 2 0 200.351 1.327 10 0 BDAERP C[C@H]1SCC[N@H+](CC2C[NH2+]C2)[C@H]1C ZINC000132513755 371847641 /nfs/dbraw/zinc/84/76/41/371847641.db2.gz RTYGXWTZAGWPCR-DTWKUNHWSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)O2 ZINC000306508121 372029247 /nfs/dbraw/zinc/02/92/47/372029247.db2.gz ACRDZAKJTRIDQT-SMDDNHRTSA-N 2 0 245.326 1.365 10 0 BDAERP C[C@@H](C[NH+](C)C)NC1=[NH+][C@@H](C)CCS1 ZINC000133740442 372099620 /nfs/dbraw/zinc/09/96/20/372099620.db2.gz NQBBEAXKWZFFAF-IUCAKERBSA-N 2 0 215.366 1.408 10 0 BDAERP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000521858996 259554207 /nfs/dbraw/zinc/55/42/07/259554207.db2.gz MCSIPWLQBLQQJF-IRCOFANPSA-N 2 0 226.364 1.124 10 0 BDAERP Cc1cnccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837459 372626816 /nfs/dbraw/zinc/62/68/16/372626816.db2.gz SLRPOPNZUSZDBJ-YPMHNXCESA-N 2 0 219.332 1.417 10 0 BDAERP COc1ccc(CC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842784 372641437 /nfs/dbraw/zinc/64/14/37/372641437.db2.gz FSDDHOORHKTCAZ-JSGCOSHPSA-N 2 0 248.370 1.764 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631842731 372641595 /nfs/dbraw/zinc/64/15/95/372641595.db2.gz DZZNPDQTGNRQCP-JQWIXIFHSA-N 2 0 222.307 1.852 10 0 BDAERP C[NH2+]C(C)(C)CN1CCSC[C@H]1C ZINC000069762557 373730093 /nfs/dbraw/zinc/73/00/93/373730093.db2.gz UUZPBWDHOHIASN-SECBINFHSA-N 2 0 202.367 1.422 10 0 BDAERP CC(C)[C@@H](C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151268455 206063912 /nfs/dbraw/zinc/06/39/12/206063912.db2.gz FJKHTWHJHKEPAO-CHWSQXEVSA-N 2 0 228.380 1.467 10 0 BDAERP CCOCCC[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC000071508079 170373497 /nfs/dbraw/zinc/37/34/97/170373497.db2.gz MQDIJLYWBLEBQJ-NSHDSACASA-N 2 0 200.326 1.097 10 0 BDAERP CCCC[C@H]([NH3+])CN(C)C1CC[NH+](CC)CC1 ZINC000042689592 169008669 /nfs/dbraw/zinc/00/86/69/169008669.db2.gz NVEWWBICNBOWOC-ZDUSSCGKSA-N 2 0 241.423 1.920 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@@H](C[NH3+])C2)CC1 ZINC000049557922 169186903 /nfs/dbraw/zinc/18/69/03/169186903.db2.gz UJUBVMYUKWOIIE-LBPRGKRZSA-N 2 0 225.380 1.141 10 0 BDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](CC)CO)C1 ZINC000037221575 169198345 /nfs/dbraw/zinc/19/83/45/169198345.db2.gz XPKNHYOJXLTQIX-RDBSUJKOSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[NH+]1CCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054134884 169202287 /nfs/dbraw/zinc/20/22/87/169202287.db2.gz KZHAILSDAWEEOT-CYBMUJFWSA-N 2 0 225.380 1.156 10 0 BDAERP c1cc(NCCCOC2CC[NH2+]CC2)cc[nH+]1 ZINC000104388271 183356644 /nfs/dbraw/zinc/35/66/44/183356644.db2.gz NEMWMCAACNKGNI-UHFFFAOYSA-N 2 0 235.331 1.652 10 0 BDAERP CCC[NH2+]CCCNCCC[NH2+]CCC ZINC000013522137 169257095 /nfs/dbraw/zinc/25/70/95/169257095.db2.gz WKDPBOLUJMSNID-UHFFFAOYSA-N 2 0 215.385 1.355 10 0 BDAERP CCC[NH2+]CC1CC[NH+](CCOC)CC1 ZINC000053659298 169257144 /nfs/dbraw/zinc/25/71/44/169257144.db2.gz XDGANJJXWXIZSE-UHFFFAOYSA-N 2 0 214.353 1.344 10 0 BDAERP CCC[NH2+]CCNCCC[N@@H+]1CCCC[C@H]1C ZINC000049474907 169259416 /nfs/dbraw/zinc/25/94/16/169259416.db2.gz JHPFDLMBUFLDMX-CQSZACIVSA-N 2 0 241.423 1.840 10 0 BDAERP CCC[NH2+]CC[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000052371436 169260521 /nfs/dbraw/zinc/26/05/21/169260521.db2.gz SFBIGXQSZALOQA-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH2+]C[C@@H](C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191998 169261404 /nfs/dbraw/zinc/26/14/04/169261404.db2.gz LTDGBCBASPJCNJ-ZIAGYGMSSA-N 2 0 241.423 1.506 10 0 BDAERP CCC[NH2+]C[C@@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000054127414 169262548 /nfs/dbraw/zinc/26/25/48/169262548.db2.gz MVLMJGVYXJHNPL-AWEZNQCLSA-N 2 0 239.407 1.404 10 0 BDAERP CCC[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000053033153 169262795 /nfs/dbraw/zinc/26/27/95/169262795.db2.gz XFHIWAUJRRMYQF-KBPBESRZSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[NH2+][C@H](C)CN1CC[NH+](CC(C)C)CC1 ZINC000055079386 169286301 /nfs/dbraw/zinc/28/63/01/169286301.db2.gz SHIACWYJNKCLSZ-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@@](C)(CC)CN(C)CC[NH+](C)C ZINC000104189022 169263402 /nfs/dbraw/zinc/26/34/02/169263402.db2.gz CPOJPKGCHUOJPY-CQSZACIVSA-N 2 0 243.439 1.896 10 0 BDAERP CCC[NH2+]C[C@@]1(C[N@H+](C)CC(C)C)CCOC1 ZINC000051215643 169264044 /nfs/dbraw/zinc/26/40/44/169264044.db2.gz GAJFLEKORCKZRE-CQSZACIVSA-N 2 0 242.407 1.981 10 0 BDAERP CCC[NH2+]C[C@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000054127416 169264884 /nfs/dbraw/zinc/26/48/84/169264884.db2.gz MVLMJGVYXJHNPL-CQSZACIVSA-N 2 0 239.407 1.404 10 0 BDAERP CCC[NH2+][C@@H](CCC)CN1CC[N@H+](C)[C@H](C)C1 ZINC000104128400 169278094 /nfs/dbraw/zinc/27/80/94/169278094.db2.gz DSXUANGYQGPIPZ-KGLIPLIRSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000061712020 169281982 /nfs/dbraw/zinc/28/19/82/169281982.db2.gz ULFOZFICCKPZIP-MELADBBJSA-N 2 0 240.391 1.611 10 0 BDAERP [NH3+][C@@H]1CCCC[C@@H]1C[NH+]1CCSCC1 ZINC000060743759 383841387 /nfs/dbraw/zinc/84/13/87/383841387.db2.gz XAWAUWTUQHTTTN-GHMZBOCLSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400367487 384205724 /nfs/dbraw/zinc/20/57/24/384205724.db2.gz FRVPZUKHAKSHJS-OOCWMUITSA-N 2 0 212.337 1.140 10 0 BDAERP [NH3+]CCN1C[C@H](c2c[nH]cn2)Cc2ccccc21 ZINC000616672895 384411987 /nfs/dbraw/zinc/41/19/87/384411987.db2.gz POVIRDGAWXCHEZ-GFCCVEGCSA-N 2 0 242.326 1.515 10 0 BDAERP Cc1c(CNCCC[N@@H+](C)C(C)C)cnn1C ZINC000229803304 384437185 /nfs/dbraw/zinc/43/71/85/384437185.db2.gz HCHQNWHORVVBJP-UHFFFAOYSA-N 2 0 238.379 1.548 10 0 BDAERP CC(C)C[C@@H](CO)[NH2+]C1CCC([NH3+])CC1 ZINC000086729196 384678983 /nfs/dbraw/zinc/67/89/83/384678983.db2.gz UNAZMICCBKIGQO-MCIGGMRASA-N 2 0 214.353 1.253 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062967738 134461746 /nfs/dbraw/zinc/46/17/46/134461746.db2.gz CRUBMYJSEBVSGP-ZDUSSCGKSA-N 2 0 225.380 1.155 10 0 BDAERP FC1(F)CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335034931 385923043 /nfs/dbraw/zinc/92/30/43/385923043.db2.gz QCXFHRPSHHECGZ-SNVBAGLBSA-N 2 0 218.291 1.906 10 0 BDAERP C[C@@H]1COC[C@@H](C)[NH+]1CCCC1CC[NH2+]CC1 ZINC000647886636 386298879 /nfs/dbraw/zinc/29/88/79/386298879.db2.gz DMHIIUHMMRLCOF-CHWSQXEVSA-N 2 0 240.391 1.875 10 0 BDAERP CCOCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000519539973 386485515 /nfs/dbraw/zinc/48/55/15/386485515.db2.gz UGLBNNVTULRRHX-OLZOCXBDSA-N 2 0 228.380 1.781 10 0 BDAERP [NH3+]CC[C@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616599886 386535408 /nfs/dbraw/zinc/53/54/08/386535408.db2.gz RYSGQOCHTMFASC-AWEZNQCLSA-N 2 0 234.343 1.626 10 0 BDAERP CCOc1cccc([C@@H]([NH3+])CCC[NH3+])c1 ZINC000575438657 387131174 /nfs/dbraw/zinc/13/11/74/387131174.db2.gz MXPVXZRQNSUYFW-LBPRGKRZSA-N 2 0 208.305 1.824 10 0 BDAERP COc1ccc(F)c([C@@H]([NH3+])CCCC[NH3+])c1 ZINC000575439172 387121544 /nfs/dbraw/zinc/12/15/44/387121544.db2.gz QEIKMGZHGPUGBX-LBPRGKRZSA-N 2 0 226.295 1.963 10 0 BDAERP COc1cc(OC)cc([C@@H]([NH3+])CCC[NH3+])c1 ZINC000575440331 387123936 /nfs/dbraw/zinc/12/39/36/387123936.db2.gz OGNRGZLZBYNMRB-LBPRGKRZSA-N 2 0 224.304 1.443 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000575439883 387126377 /nfs/dbraw/zinc/12/63/77/387126377.db2.gz NOINPVJJLCEPTJ-SECBINFHSA-N 2 0 218.222 1.843 10 0 BDAERP COc1cccc(OC)c1[C@@H]([NH3+])CCC[NH3+] ZINC000575440044 387127566 /nfs/dbraw/zinc/12/75/66/387127566.db2.gz HWZFEXOTVXORLW-VIFPVBQESA-N 2 0 224.304 1.443 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1cc(F)cc(F)c1F ZINC000575440066 387127787 /nfs/dbraw/zinc/12/77/87/387127787.db2.gz SHASXDLROCLUOC-SECBINFHSA-N 2 0 218.222 1.843 10 0 BDAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000575440231 387127812 /nfs/dbraw/zinc/12/78/12/387127812.db2.gz WIBDVEADJPGIAF-GFCCVEGCSA-N 2 0 220.316 1.750 10 0 BDAERP CCC[N@H+](CC)CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400400785 387153769 /nfs/dbraw/zinc/15/37/69/387153769.db2.gz PTSFGRLWNBWDJY-CHWSQXEVSA-N 2 0 227.396 1.306 10 0 BDAERP CC(C)[C@H](C)[NH+]1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000536955022 387167418 /nfs/dbraw/zinc/16/74/18/387167418.db2.gz OLUWZHNGYGQWGX-AVGNSLFASA-N 2 0 210.365 1.962 10 0 BDAERP CC(C)([NH3+])C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000306206622 387182637 /nfs/dbraw/zinc/18/26/37/387182637.db2.gz QBDORAFKTMIZRK-SECBINFHSA-N 2 0 200.326 1.271 10 0 BDAERP C[C@H]1C[N@H+](CC2CSC2)CCC[NH2+]1 ZINC000575491080 387276604 /nfs/dbraw/zinc/27/66/04/387276604.db2.gz ZGULSJSPTVNGAP-VIFPVBQESA-N 2 0 200.351 1.033 10 0 BDAERP CO[C@H](C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643464088 387355479 /nfs/dbraw/zinc/35/54/79/387355479.db2.gz SOWILKAIHXIRLU-IJLUTSLNSA-N 2 0 214.353 1.389 10 0 BDAERP CO[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643464087 387355494 /nfs/dbraw/zinc/35/54/94/387355494.db2.gz SOWILKAIHXIRLU-GRYCIOLGSA-N 2 0 214.353 1.389 10 0 BDAERP CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000515516621 387384304 /nfs/dbraw/zinc/38/43/04/387384304.db2.gz AHOUOTHZMUSMAG-UONOGXRCSA-N 2 0 241.423 1.696 10 0 BDAERP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCS1 ZINC000575497920 387326445 /nfs/dbraw/zinc/32/64/45/387326445.db2.gz OOMAUUDILLTUPM-LPEHRKFASA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1C[N@H+](CC2CC([NH3+])C2)CCS1 ZINC000575521149 387453203 /nfs/dbraw/zinc/45/32/03/387453203.db2.gz OOMAUUDILLTUPM-XNWIYYODSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000643456028 387495642 /nfs/dbraw/zinc/49/56/42/387495642.db2.gz UXFAKPYKRWELRY-UMSGYPCISA-N 2 0 226.364 1.268 10 0 BDAERP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422795536 387696900 /nfs/dbraw/zinc/69/69/00/387696900.db2.gz VWZYBBOFKNPUQY-OLZOCXBDSA-N 2 0 248.370 1.789 10 0 BDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000151322718 387816444 /nfs/dbraw/zinc/81/64/44/387816444.db2.gz ZWAYBSZKPKOLLN-STQMWFEESA-N 2 0 242.407 1.857 10 0 BDAERP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423102669 387889808 /nfs/dbraw/zinc/88/98/08/387889808.db2.gz OLKBTHXLBLRUHC-HKUMRIAESA-N 2 0 240.391 1.920 10 0 BDAERP C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000423108522 387894081 /nfs/dbraw/zinc/89/40/81/387894081.db2.gz TXIOGSBDYPXXRR-HBJVGIJOSA-N 2 0 240.391 1.907 10 0 BDAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000423099736 387887491 /nfs/dbraw/zinc/88/74/91/387887491.db2.gz MJUWCPNVUQCREF-XJFOESAGSA-N 2 0 240.391 1.922 10 0 BDAERP Cc1cccnc1CCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423158958 387939889 /nfs/dbraw/zinc/93/98/89/387939889.db2.gz XOMZWGYBFOPDQX-KBPBESRZSA-N 2 0 247.386 1.910 10 0 BDAERP c1cn(CCN2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000245583951 387964284 /nfs/dbraw/zinc/96/42/84/387964284.db2.gz DGQCSNMIENPFME-ZDUSSCGKSA-N 2 0 234.347 1.053 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000423215440 387997621 /nfs/dbraw/zinc/99/76/21/387997621.db2.gz NWCNTHXOSBNGDE-AOWPKACXSA-N 2 0 208.349 1.904 10 0 BDAERP C[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])C1 ZINC000071509209 388096401 /nfs/dbraw/zinc/09/64/01/388096401.db2.gz SUEVMBMZZZPHAP-STQMWFEESA-N 2 0 204.317 1.998 10 0 BDAERP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000335044252 388448433 /nfs/dbraw/zinc/44/84/33/388448433.db2.gz XWVIEFDYFGWSFZ-BXUZGUMPSA-N 2 0 230.355 1.741 10 0 BDAERP CC(C)[C@@H](CO)C[NH2+]C1CCC([NH3+])CC1 ZINC000394041594 388449957 /nfs/dbraw/zinc/44/99/57/388449957.db2.gz KPBRJLUHZJJPSJ-VOMCLLRMSA-N 2 0 214.353 1.110 10 0 BDAERP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000530224848 388633723 /nfs/dbraw/zinc/63/37/23/388633723.db2.gz MQHYSVZIJPECBY-XARVFOJUSA-N 2 0 226.364 1.386 10 0 BDAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000530224379 388634758 /nfs/dbraw/zinc/63/47/58/388634758.db2.gz LVTWJOKFUZNQIK-RXGFPQBGSA-N 2 0 226.364 1.530 10 0 BDAERP CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089199 388986677 /nfs/dbraw/zinc/98/66/77/388986677.db2.gz FGDIYWIMBITZSS-TUAOUCFPSA-N 2 0 214.353 1.125 10 0 BDAERP CC(C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566090794 388987227 /nfs/dbraw/zinc/98/72/27/388987227.db2.gz OWDXABWRDAZORL-FRRDWIJNSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@@H]([NH2+]CCCOCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000400380252 533386461 /nfs/dbraw/zinc/38/64/61/533386461.db2.gz KAILHMDGQVYTJU-DGCLKSJQSA-N 2 0 226.364 1.391 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000400422387 533434518 /nfs/dbraw/zinc/43/45/18/533434518.db2.gz XJIHDSXURSAFAA-WISYIIOYSA-N 2 0 212.337 1.142 10 0 BDAERP CC[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019865931 132328072 /nfs/dbraw/zinc/32/80/72/132328072.db2.gz ZTHLKSUMGBZNMN-UHFFFAOYSA-N 2 0 232.331 1.113 10 0 BDAERP CC[C@@H]1CN(c2ccnc(C[NH3+])c2)CC[N@@H+]1C ZINC000104132044 132434468 /nfs/dbraw/zinc/43/44/68/132434468.db2.gz RMQVRAPSRIPPDP-GFCCVEGCSA-N 2 0 234.347 1.071 10 0 BDAERP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000178260132 134305829 /nfs/dbraw/zinc/30/58/29/134305829.db2.gz HJKDOBVFLPAEQC-GXSJLCMTSA-N 2 0 233.315 1.254 10 0 BDAERP C(C1CCOCC1)[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221424199 134324258 /nfs/dbraw/zinc/32/42/58/134324258.db2.gz FYQDJCQDTVUZDS-CHWSQXEVSA-N 2 0 224.348 1.097 10 0 BDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCO ZINC000086500702 135087330 /nfs/dbraw/zinc/08/73/30/135087330.db2.gz QBIBFCGVAPHWCB-NWDGAFQWSA-N 2 0 214.353 1.269 10 0 BDAERP CC(C)CCOCC[NH2+]C1CCC([NH3+])CC1 ZINC000086729584 135095263 /nfs/dbraw/zinc/09/52/63/135095263.db2.gz MJVSGBIZAATOKX-UHFFFAOYSA-N 2 0 228.380 1.909 10 0 BDAERP O[C@@H]1CC[C@@H]2C[N@H+](CCC[NH+]3CCCC3)C[C@H]12 ZINC000252857405 135114175 /nfs/dbraw/zinc/11/41/75/135114175.db2.gz IJRSMFUJKWIHKZ-HZSPNIEDSA-N 2 0 238.375 1.175 10 0 BDAERP Cn1cc(CC[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261545174 135186873 /nfs/dbraw/zinc/18/68/73/135186873.db2.gz FTEDMVFRDKGKCZ-GFCCVEGCSA-N 2 0 236.363 1.022 10 0 BDAERP CCCc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263210011 135339128 /nfs/dbraw/zinc/33/91/28/135339128.db2.gz KDBJXFIFYHPEDZ-GJZGRUSLSA-N 2 0 248.370 1.309 10 0 BDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000263317185 135346538 /nfs/dbraw/zinc/34/65/38/135346538.db2.gz ZQROLJWDWGROEP-STQMWFEESA-N 2 0 226.364 1.127 10 0 BDAERP CC(C)C[C@H](CN[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128921608 398098227 /nfs/dbraw/zinc/09/82/27/398098227.db2.gz YKSBFQYETXTMBS-ZIAGYGMSSA-N 2 0 241.423 1.694 10 0 BDAERP CC(C)C[NH2+]C[C@@H]1CCN([C@@H]2CC[N@H+](C)C2)C1 ZINC000053031644 167006178 /nfs/dbraw/zinc/00/61/78/167006178.db2.gz DPDNNBSOIIQCAC-UONOGXRCSA-N 2 0 239.407 1.258 10 0 BDAERP CC(C)[N@@H+]1CCc2nc(CCC[NH3+])sc2C1 ZINC000054139497 167027053 /nfs/dbraw/zinc/02/70/53/167027053.db2.gz KBQICNHZFDTBAE-UHFFFAOYSA-N 2 0 239.388 1.801 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[NH2+]C(C)C ZINC000037609861 487559960 /nfs/dbraw/zinc/55/99/60/487559960.db2.gz XXGBANNFFOKRFO-GFCCVEGCSA-N 2 0 243.395 1.077 10 0 BDAERP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262107139 487588844 /nfs/dbraw/zinc/58/88/44/487588844.db2.gz JSPXPFFKWPZHGA-FVCCEPFGSA-N 2 0 240.391 1.371 10 0 BDAERP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H](O)C1 ZINC000051257104 167003202 /nfs/dbraw/zinc/00/32/02/167003202.db2.gz FJSMCWRYAUXRQG-ZDUSSCGKSA-N 2 0 242.407 1.715 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401016720 411172313 /nfs/dbraw/zinc/17/23/13/411172313.db2.gz AMLKYTCBQDARMO-KKOKHZNYSA-N 2 0 240.416 1.858 10 0 BDAERP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000656193366 411200906 /nfs/dbraw/zinc/20/09/06/411200906.db2.gz IFMFKPZUFVINOQ-FRRDWIJNSA-N 2 0 233.359 1.600 10 0 BDAERP Cc1c[nH+]ccc1NCC1([NH3+])CCCC1 ZINC000656610670 411308365 /nfs/dbraw/zinc/30/83/65/411308365.db2.gz NINZZDOLIYYRQS-UHFFFAOYSA-N 2 0 205.305 1.495 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]21 ZINC000656699952 411324215 /nfs/dbraw/zinc/32/42/15/411324215.db2.gz OGDVKZHMCRATDR-RWMBFGLXSA-N 2 0 226.364 1.172 10 0 BDAERP CC1CC[NH+](Cc2cc(C[NH3+])co2)CC1 ZINC000052377065 168184379 /nfs/dbraw/zinc/18/43/79/168184379.db2.gz UFCFWBZVPYWQOM-UHFFFAOYSA-N 2 0 208.305 1.970 10 0 BDAERP CN1CCC[C@@H](C[N@H+](C)[C@@H]2CCCC[C@H]2O)C1 ZINC000659950369 411392359 /nfs/dbraw/zinc/39/23/59/411392359.db2.gz ZSCJAPSMFHGDQL-MGPQQGTHSA-N 2 0 240.391 1.564 10 0 BDAERP CCN1CC[NH+](C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070503068 169992692 /nfs/dbraw/zinc/99/26/92/169992692.db2.gz YXQUSLVOQRKMBZ-CHWSQXEVSA-N 2 0 225.380 1.141 10 0 BDAERP CC[N@@H+]1CC[C@H](CNC2=[NH+]CCS2)C1 ZINC000037484491 170015911 /nfs/dbraw/zinc/01/59/11/170015911.db2.gz SMGFKJRSVLQKPE-SECBINFHSA-N 2 0 213.350 1.021 10 0 BDAERP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000336906988 170022283 /nfs/dbraw/zinc/02/22/83/170022283.db2.gz YKYGDMAGLMJXMK-HZSPNIEDSA-N 2 0 237.391 1.297 10 0 BDAERP CC[N@H+]1C[C@H](NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000309986102 170035913 /nfs/dbraw/zinc/03/59/13/170035913.db2.gz YHPQBIKCNDFTJL-AAEUAGOBSA-N 2 0 225.380 1.010 10 0 BDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC[NH+](C)C ZINC000054626570 170109293 /nfs/dbraw/zinc/10/92/93/170109293.db2.gz KNYQWYVRIGVHLT-AGUYFDCRSA-N 2 0 239.407 1.543 10 0 BDAERP CC[NH2+]CC(CC)(CC)CN(C)CC[NH+](C)C ZINC000104191225 170110525 /nfs/dbraw/zinc/11/05/25/170110525.db2.gz VJUXCLOASKHZAA-UHFFFAOYSA-N 2 0 243.439 1.896 10 0 BDAERP CC[NH2+]CC1CC[NH+](CCn2ccnc2)CC1 ZINC000104414622 170111618 /nfs/dbraw/zinc/11/16/18/170111618.db2.gz MGPIIAFRCBJJKK-UHFFFAOYSA-N 2 0 236.363 1.205 10 0 BDAERP CC[NH2+]CCC[C@@H](C)[N@H+](C)Cc1nccn1C ZINC000062326263 170112362 /nfs/dbraw/zinc/11/23/62/170112362.db2.gz YOPSHWBWELCMMN-GFCCVEGCSA-N 2 0 238.379 1.630 10 0 BDAERP CC[NH2+]CCCOCC[NH+]1CCCCC1 ZINC000052670860 170112390 /nfs/dbraw/zinc/11/23/90/170112390.db2.gz IYHPOIDZEIIMTQ-UHFFFAOYSA-N 2 0 214.353 1.489 10 0 BDAERP CC[NH2+]C[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573447 170118897 /nfs/dbraw/zinc/11/88/97/170118897.db2.gz VDTIYLDIWBEZBO-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH2+]C[C@@H](O)C[N@H+](CCOC)C(CC)CC ZINC000042615902 170119223 /nfs/dbraw/zinc/11/92/23/170119223.db2.gz QYRVVEWVESJZGK-CYBMUJFWSA-N 2 0 246.395 1.094 10 0 BDAERP CC[NH2+]C[C@@H]1CCN(CC(C)(C)C[NH+](C)C)C1 ZINC000053010828 170120415 /nfs/dbraw/zinc/12/04/15/170120415.db2.gz WSHVXFWGUATMMG-ZDUSSCGKSA-N 2 0 241.423 1.506 10 0 BDAERP CC[NH2+]C[C@H](C)C[N@H+](CCCOC)CCOC ZINC000052543214 170121631 /nfs/dbraw/zinc/12/16/31/170121631.db2.gz CRSBPBHKQHEISD-ZDUSSCGKSA-N 2 0 246.395 1.217 10 0 BDAERP CC[NH2+]C[C@](C)(CC)CN(C)CCC[NH+](C)C ZINC000104199579 170123700 /nfs/dbraw/zinc/12/37/00/170123700.db2.gz PSWYHPMZIWVGBH-AWEZNQCLSA-N 2 0 243.439 1.896 10 0 BDAERP CC[NH2+][C@@H](C)CCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000104125948 170139452 /nfs/dbraw/zinc/13/94/52/170139452.db2.gz CIFVQVSGXIXGKL-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104420279 170140744 /nfs/dbraw/zinc/14/07/44/170140744.db2.gz UMVHJIDKZMECFY-DGAVXFQQSA-N 2 0 240.391 1.610 10 0 BDAERP CC[NH2+][C@@H](C)c1csc(CC[NH+](C)C)n1 ZINC000076810637 170142957 /nfs/dbraw/zinc/14/29/57/170142957.db2.gz AJGHMYFPUXMUKJ-VIFPVBQESA-N 2 0 227.377 1.918 10 0 BDAERP CCOCCC[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000076519208 170380472 /nfs/dbraw/zinc/38/04/72/170380472.db2.gz MAZRGEDJWSHVIH-ZDUSSCGKSA-N 2 0 228.380 1.733 10 0 BDAERP CC[C@@H](CC(N)=[NH2+])[N@H+](CCOC)[C@@H](C)COC ZINC000042607945 170812267 /nfs/dbraw/zinc/81/22/67/170812267.db2.gz DKAGBZZSPRAFKQ-QWRGUYRKSA-N 2 0 245.367 1.074 10 0 BDAERP C[N@H+](CCO[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662265476 412057443 /nfs/dbraw/zinc/05/74/43/412057443.db2.gz CADYXFSCVOETNJ-GHMZBOCLSA-N 2 0 248.317 1.485 10 0 BDAERP CC[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H](C)C[NH2+]1 ZINC000049662857 171011053 /nfs/dbraw/zinc/01/10/53/171011053.db2.gz NSOSETYSNPKYAB-MCIONIFRSA-N 2 0 240.391 1.875 10 0 BDAERP CC[C@@H]1CN(CCC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000104141460 171080645 /nfs/dbraw/zinc/08/06/45/171080645.db2.gz VNRRAXXYOGOOSQ-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP CC[C@H](C)C[N@H+](C)C[C@]1(C[NH2+]C)CCCOC1 ZINC000104317391 171275365 /nfs/dbraw/zinc/27/53/65/171275365.db2.gz XOGISDTZUIJYDY-UONOGXRCSA-N 2 0 242.407 1.981 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C(CC)(CC)C[NH3+])CC1 ZINC000055064712 171318532 /nfs/dbraw/zinc/31/85/32/171318532.db2.gz WRTJOALUFZQRBO-ZDUSSCGKSA-N 2 0 241.423 1.920 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000055066976 171318733 /nfs/dbraw/zinc/31/87/33/171318733.db2.gz RSCXTZHOOIVXKU-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000665236912 412177195 /nfs/dbraw/zinc/17/71/95/412177195.db2.gz WHVFBWJWBNQOHF-RWMBFGLXSA-N 2 0 239.407 1.447 10 0 BDAERP c1cc(CC[NH2+][C@H]2CCC[NH2+]CC2)co1 ZINC000665261834 412204546 /nfs/dbraw/zinc/20/45/46/412204546.db2.gz MNRJXEFUWCRIMS-LBPRGKRZSA-N 2 0 208.305 1.554 10 0 BDAERP CCn1cc[nH+]c1N(C)c1ccc(C(N)=[NH2+])cc1 ZINC000061951991 172226611 /nfs/dbraw/zinc/22/66/11/172226611.db2.gz NUSDHSGLIFLMAZ-UHFFFAOYSA-N 2 0 243.314 1.955 10 0 BDAERP C[NH+](C)C[C@H]1CCCN1[C@@H]1CCCC[NH2+]C1 ZINC000061655225 172495958 /nfs/dbraw/zinc/49/59/58/172495958.db2.gz OKZZOEOZYWBLFY-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP C[NH+]1CCC2(CC1)C[C@@H]([NH3+])CCS2 ZINC000082382416 173001439 /nfs/dbraw/zinc/00/14/39/173001439.db2.gz FAQRAOFSDSSPHZ-VIFPVBQESA-N 2 0 200.351 1.305 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CCn1ccnc1 ZINC000049857922 173007637 /nfs/dbraw/zinc/00/76/37/173007637.db2.gz OGCBRRFJQJGUNB-ZDUSSCGKSA-N 2 0 236.363 1.347 10 0 BDAERP C[N@@H+]1CCCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000054027331 173014422 /nfs/dbraw/zinc/01/44/22/173014422.db2.gz SAIRNYFOFVUHDD-LBPRGKRZSA-N 2 0 227.396 1.387 10 0 BDAERP CN(CC1([NH3+])CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000053247625 173043670 /nfs/dbraw/zinc/04/36/70/173043670.db2.gz ILXVEOGVOUGCET-LBPRGKRZSA-N 2 0 225.380 1.284 10 0 BDAERP CN1CCC[C@H]([N@H+](C)CC2CCC([NH3+])CC2)C1 ZINC000053247613 173045220 /nfs/dbraw/zinc/04/52/20/173045220.db2.gz SHNRANAIQYGSDH-RUXDESIVSA-N 2 0 239.407 1.530 10 0 BDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CCO)C1 ZINC000336697137 173052897 /nfs/dbraw/zinc/05/28/97/173052897.db2.gz HVXSSAVIFAXPEG-OLZOCXBDSA-N 2 0 226.364 1.175 10 0 BDAERP C[NH+]1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000023069994 173091704 /nfs/dbraw/zinc/09/17/04/173091704.db2.gz IUYIXXSHWXFJDF-QWHCGFSZSA-N 2 0 225.380 1.284 10 0 BDAERP C[NH+]1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022313 173094658 /nfs/dbraw/zinc/09/46/58/173094658.db2.gz XAWKIVGUWUDEJV-CYBMUJFWSA-N 2 0 246.358 1.301 10 0 BDAERP C[NH+]1CCN([C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000023070000 173095658 /nfs/dbraw/zinc/09/56/58/173095658.db2.gz IUYIXXSHWXFJDF-OLZOCXBDSA-N 2 0 225.380 1.284 10 0 BDAERP CN1CC[C@@H]([NH3+])[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000058081895 173119852 /nfs/dbraw/zinc/11/98/52/173119852.db2.gz PZNCCKNONWHSRL-LSDHHAIUSA-N 2 0 247.386 1.397 10 0 BDAERP C[N@@H+]1CC[C@H](CNC2=[NH+]CCCS2)C1 ZINC000037485223 173147554 /nfs/dbraw/zinc/14/75/54/173147554.db2.gz UHTGQBXCGVBGDT-SECBINFHSA-N 2 0 213.350 1.021 10 0 BDAERP C[NH2+]C1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000044537337 173323174 /nfs/dbraw/zinc/32/31/74/173323174.db2.gz YHBLXXQVNRXMFF-LBPRGKRZSA-N 2 0 225.380 1.012 10 0 BDAERP C[NH2+]CCOCCc1ccc2[nH]cnc2c1 ZINC000077328699 173357141 /nfs/dbraw/zinc/35/71/41/173357141.db2.gz JDPBPIBXIYECMK-UHFFFAOYSA-N 2 0 219.288 1.341 10 0 BDAERP C[NH2+]CC[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061935501 173358358 /nfs/dbraw/zinc/35/83/58/173358358.db2.gz OJMKBYUAUNTPRQ-WDEREUQCSA-N 2 0 200.326 1.095 10 0 BDAERP C[NH2+]C[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000040593340 173367660 /nfs/dbraw/zinc/36/76/60/173367660.db2.gz ITKOVHUSIJWGHZ-NSHDSACASA-N 2 0 212.337 1.097 10 0 BDAERP C[NH2+]C[C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000053010853 173369565 /nfs/dbraw/zinc/36/95/65/173369565.db2.gz QOZRNPHRUHWONH-AWEZNQCLSA-N 2 0 241.423 1.647 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823136 173371567 /nfs/dbraw/zinc/37/15/67/173371567.db2.gz JVRHZYQFTCMPBO-QWHCGFSZSA-N 2 0 240.391 1.875 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC000051210270 173372985 /nfs/dbraw/zinc/37/29/85/173372985.db2.gz HUTDQLIBKHZQHZ-QWHCGFSZSA-N 2 0 226.364 1.344 10 0 BDAERP C[NH2+]C[C@H](C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571549 173373292 /nfs/dbraw/zinc/37/32/92/173373292.db2.gz JGUMHXUEHVZNHP-CYBMUJFWSA-N 2 0 241.423 1.647 10 0 BDAERP C[NH2+]C[C@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000062073954 173381529 /nfs/dbraw/zinc/38/15/29/173381529.db2.gz KTQPFAJNBVMPNW-UONOGXRCSA-N 2 0 239.407 1.260 10 0 BDAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377127 173382934 /nfs/dbraw/zinc/38/29/34/173382934.db2.gz MVASCHLWCMHDST-CHWSQXEVSA-N 2 0 226.364 1.485 10 0 BDAERP C[NH2+]Cc1cc(C[N@@H+]2CCCC[C@H]2C)on1 ZINC000052378764 173386971 /nfs/dbraw/zinc/38/69/71/173386971.db2.gz NVHNVYNROQZHOZ-SNVBAGLBSA-N 2 0 223.320 1.768 10 0 BDAERP C[NH2+]Cc1cc(C[N@@H+]2CC[C@@H](C)C2)on1 ZINC000052484444 173387257 /nfs/dbraw/zinc/38/72/57/173387257.db2.gz LCPVAOCMSSWCKQ-SECBINFHSA-N 2 0 209.293 1.236 10 0 BDAERP C[NH2+]Cc1cc(OCC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000051549408 173387545 /nfs/dbraw/zinc/38/75/45/173387545.db2.gz JJVOVTDTUZNRPV-CYBMUJFWSA-N 2 0 249.358 1.664 10 0 BDAERP C[NH2+]Cc1ccoc1C[NH+]1CCCCC1 ZINC000052421184 173391583 /nfs/dbraw/zinc/39/15/83/173391583.db2.gz VPRBJWLDECYTCR-UHFFFAOYSA-N 2 0 208.305 1.985 10 0 BDAERP COC1CC[NH+](CC2(C[NH3+])CCCC2)CC1 ZINC000051216247 174028094 /nfs/dbraw/zinc/02/80/94/174028094.db2.gz UDHFPCHHILGZRP-UHFFFAOYSA-N 2 0 226.364 1.616 10 0 BDAERP COCC[N@H+](C)C[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000053971837 174278641 /nfs/dbraw/zinc/27/86/41/174278641.db2.gz PHBRIUHVNBYQGQ-OCCSQVGLSA-N 2 0 236.359 1.901 10 0 BDAERP COCC[N@@H+](Cc1cc(C[NH3+])no1)CC(C)C ZINC000052508600 174299687 /nfs/dbraw/zinc/29/96/87/174299687.db2.gz HEROVNZLZFRKMM-UHFFFAOYSA-N 2 0 241.335 1.238 10 0 BDAERP COCCN([C@H](C)COC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042607149 174303022 /nfs/dbraw/zinc/30/30/22/174303022.db2.gz RPWRTSRMAVMUOO-FRRDWIJNSA-N 2 0 244.379 1.240 10 0 BDAERP COCC[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000020048131 174332852 /nfs/dbraw/zinc/33/28/52/174332852.db2.gz OPNXCAFXFQNISG-UHFFFAOYSA-N 2 0 236.359 1.745 10 0 BDAERP COCC[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000045206704 174336243 /nfs/dbraw/zinc/33/62/43/174336243.db2.gz ZBJLBOJYYFIWCM-UHFFFAOYSA-N 2 0 222.332 1.484 10 0 BDAERP COCCNc1cc([C@H]2CCC[NH2+]C2)ccn1 ZINC000072386642 174341283 /nfs/dbraw/zinc/34/12/83/174341283.db2.gz JXEWHHRISOSWMJ-LBPRGKRZSA-N 2 0 235.331 1.607 10 0 BDAERP COc1ccc(OC)c([C@H](C[NH3+])C[NH+](C)C)c1 ZINC000041280535 175169023 /nfs/dbraw/zinc/16/90/23/175169023.db2.gz PSIBJIDQDIRZKD-SNVBAGLBSA-N 2 0 238.331 1.308 10 0 BDAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1cnccn1 ZINC000100256585 175917392 /nfs/dbraw/zinc/91/73/92/175917392.db2.gz MMEXWKAMBZHGLP-MXWKQRLJSA-N 2 0 220.320 1.397 10 0 BDAERP C[C@@H]([NH3+])[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052061053 176010947 /nfs/dbraw/zinc/01/09/47/176010947.db2.gz SRJHYVUOZKCSFV-NEPJUHHUSA-N 2 0 225.380 1.282 10 0 BDAERP C[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)CC[NH+](C)C ZINC000104200776 176011554 /nfs/dbraw/zinc/01/15/54/176011554.db2.gz KWKZKNVVICXAEI-GXTWGEPZSA-N 2 0 235.375 1.568 10 0 BDAERP C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217744 176083730 /nfs/dbraw/zinc/08/37/30/176083730.db2.gz HKJGBXOBIKXYGI-KGLIPLIRSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])co2)C1 ZINC000052381458 176099736 /nfs/dbraw/zinc/09/97/36/176099736.db2.gz CWWIMWJWOKWJGT-SNVBAGLBSA-N 2 0 208.305 1.970 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H](O)[C@H]1[NH3+] ZINC000245204377 176175229 /nfs/dbraw/zinc/17/52/29/176175229.db2.gz AKYCYJKHFYEHSO-XBFCOCLRSA-N 2 0 234.343 1.217 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000040716990 176175698 /nfs/dbraw/zinc/17/56/98/176175698.db2.gz LHBMNQCXRNBFIA-LLVKDONJSA-N 2 0 204.317 1.987 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H](O)[C@@H]1[NH3+] ZINC000021994301 176175776 /nfs/dbraw/zinc/17/57/76/176175776.db2.gz AKYCYJKHFYEHSO-MRVWCRGKSA-N 2 0 234.343 1.217 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000324598444 487633186 /nfs/dbraw/zinc/63/31/86/487633186.db2.gz HVZGYUBUYOBFOW-GARJFASQSA-N 2 0 214.353 1.253 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccncc1 ZINC000042427322 176223430 /nfs/dbraw/zinc/22/34/30/176223430.db2.gz DHPMVNHQRDZMKX-DGCLKSJQSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccccn1 ZINC000042427380 176224194 /nfs/dbraw/zinc/22/41/94/176224194.db2.gz TYSYXCHVNLVYRH-VXGBXAGGSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@@H]1C[N@@H+](C2CCSCC2)C[C@@]1(C)C[NH3+] ZINC000335349926 176283154 /nfs/dbraw/zinc/28/31/54/176283154.db2.gz YEMIGBYIPLKBRN-ZYHUDNBSSA-N 2 0 228.405 1.799 10 0 BDAERP C[C@@H]1C[N@H+](CCc2ccsc2)CC[C@@H]1[NH3+] ZINC000049713587 176295286 /nfs/dbraw/zinc/29/52/86/176295286.db2.gz FRZBKAZJDNTHNV-PWSUYJOCSA-N 2 0 224.373 1.960 10 0 BDAERP C[C@@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CC[N@@H+]1C ZINC000104135923 176302756 /nfs/dbraw/zinc/30/27/56/176302756.db2.gz YTWYTDQXOQKDHM-LLVKDONJSA-N 2 0 246.358 1.107 10 0 BDAERP C[C@@H]1C[N@H+](Cc2occc2C[NH3+])CCCO1 ZINC000061935395 176313633 /nfs/dbraw/zinc/31/36/33/176313633.db2.gz MQJITZGXLVWXRF-SNVBAGLBSA-N 2 0 224.304 1.349 10 0 BDAERP C[C@H](c1cccc(O)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245127 177037782 /nfs/dbraw/zinc/03/77/82/177037782.db2.gz GZHJSHXTQHOXOR-GHMZBOCLSA-N 2 0 220.316 1.734 10 0 BDAERP C[C@H]1CCC[C@](C[NH3+])([N@@H+]2CCCOCC2)C1 ZINC000061916617 177143742 /nfs/dbraw/zinc/14/37/42/177143742.db2.gz FGWJJXRXLQCEHY-STQMWFEESA-N 2 0 226.364 1.616 10 0 BDAERP C[C@H]1CCN(CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000044526818 177158307 /nfs/dbraw/zinc/15/83/07/177158307.db2.gz XEHDHQPBNLQBMI-LBPRGKRZSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1CC[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000040716985 177163702 /nfs/dbraw/zinc/16/37/02/177163702.db2.gz MPOGSZSAPLFJRA-NSHDSACASA-N 2 0 204.317 1.987 10 0 BDAERP C[C@H]1C[N@@H+](C2(C[NH3+])CCCC2)CCCO1 ZINC000061916234 177240053 /nfs/dbraw/zinc/24/00/53/177240053.db2.gz ZZMCEFKWJBEAAZ-NSHDSACASA-N 2 0 212.337 1.369 10 0 BDAERP C[C@H]1C[N@@H+]([C@@](C)(C[NH3+])C2CC2)CCCO1 ZINC000061915168 177275706 /nfs/dbraw/zinc/27/57/06/177275706.db2.gz VZOLMKMGUYIHNG-JQWIXIFHSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@H]1C[NH2+]CCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000044564206 177282350 /nfs/dbraw/zinc/28/23/50/177282350.db2.gz HSSPRCBDGMSDRF-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1C[NH2+]C[C@@H]1C[N@H+](C)CCc1ccncc1 ZINC000104213289 177286068 /nfs/dbraw/zinc/28/60/68/177286068.db2.gz CNVIXQOSBMARIA-GXTWGEPZSA-N 2 0 233.359 1.411 10 0 BDAERP C[C@H](C[NH+]1CCCC1)NC1=[NH+][C@@H](C)CS1 ZINC000049185292 177302771 /nfs/dbraw/zinc/30/27/71/177302771.db2.gz XAMYDABBUAODAS-ZJUUUORDSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@H](C[NH+]1CCCCC1)NC1=[NH+][C@@H](C)CS1 ZINC000049502359 177303061 /nfs/dbraw/zinc/30/30/61/177303061.db2.gz ZNOLHQBULNBZNM-MNOVXSKESA-N 2 0 241.404 1.942 10 0 BDAERP C[C@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400485081 226344515 /nfs/dbraw/zinc/34/45/15/226344515.db2.gz XDOXMLLOCDIMOM-WDEREUQCSA-N 2 0 208.349 1.764 10 0 BDAERP COc1cc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)ccn1 ZINC000400707035 226350008 /nfs/dbraw/zinc/35/00/08/226350008.db2.gz CTTYFYFZBQUVGY-PWSUYJOCSA-N 2 0 235.331 1.178 10 0 BDAERP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400808585 229243582 /nfs/dbraw/zinc/24/35/82/229243582.db2.gz XEPBZJFCGCUFSH-WCQYABFASA-N 2 0 234.343 1.783 10 0 BDAERP C[C@@H](C[NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000398338608 323006757 /nfs/dbraw/zinc/00/67/57/323006757.db2.gz FHGMPCODHFJEMK-STQMWFEESA-N 2 0 218.344 1.989 10 0 BDAERP C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400340730 324166939 /nfs/dbraw/zinc/16/69/39/324166939.db2.gz GQKUCQUZKABSNT-IWSPIJDZSA-N 2 0 224.270 1.915 10 0 BDAERP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CC[NH2+]C1 ZINC000400779911 324168287 /nfs/dbraw/zinc/16/82/87/324168287.db2.gz PBLASQLRQKKGMC-WCQYABFASA-N 2 0 234.343 1.522 10 0 BDAERP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400796098 324169109 /nfs/dbraw/zinc/16/91/09/324169109.db2.gz SUXUQLJHHVLEOT-BNOWGMLFSA-N 2 0 234.343 1.308 10 0 BDAERP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000131779450 325183009 /nfs/dbraw/zinc/18/30/09/325183009.db2.gz FDDMZRGGPSWUGO-MXWKQRLJSA-N 2 0 214.378 1.564 10 0 BDAERP CCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404887365 326102033 /nfs/dbraw/zinc/10/20/33/326102033.db2.gz NHQRKYLZTBNVRT-NEPJUHHUSA-N 2 0 241.379 1.057 10 0 BDAERP CC(C)[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567642383 326237283 /nfs/dbraw/zinc/23/72/83/326237283.db2.gz ROZRBJGAZYUOED-QWHCGFSZSA-N 2 0 227.396 1.304 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000569228116 326396344 /nfs/dbraw/zinc/39/63/44/326396344.db2.gz DOPXBHVXYHATOM-RFQIPJPRSA-N 2 0 240.391 1.515 10 0 BDAERP CC(C)n1ccnc1CN(C)CC(C)(C)[NH3+] ZINC000662292110 487541534 /nfs/dbraw/zinc/54/15/34/487541534.db2.gz AJYQRXULXNZGMQ-UHFFFAOYSA-N 2 0 224.352 1.633 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC3CC=CC3)C[C@H]12 ZINC000662266474 487502556 /nfs/dbraw/zinc/50/25/56/487502556.db2.gz MFMSNEHIPHBSIS-FRRDWIJNSA-N 2 0 206.333 1.622 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CC[N@@H+]1C ZINC000129118431 490599990 /nfs/dbraw/zinc/59/99/90/490599990.db2.gz OUXZEPNDYLYBML-XQHKEYJVSA-N 2 0 226.364 1.220 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@]12CCC[N@@H+]2CCCF ZINC000757130803 582504869 /nfs/dbraw/zinc/50/48/69/582504869.db2.gz OCKQSXDDTRLZSL-RYUDHWBXSA-N 2 0 214.328 1.953 10 0 BDAERP C[C@@H]1O[C@]2(CCC[N@H+](C)CC2)[NH2+]CC1(C)C ZINC000757150340 582534963 /nfs/dbraw/zinc/53/49/63/582534963.db2.gz QTIOVCLAZWQVNF-AAEUAGOBSA-N 2 0 226.364 1.833 10 0 BDAERP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000400518579 533989822 /nfs/dbraw/zinc/98/98/22/533989822.db2.gz NSQILCKCWNLCNX-DGAVXFQQSA-N 2 0 237.391 1.201 10 0 BDAERP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000262176360 535821984 /nfs/dbraw/zinc/82/19/84/535821984.db2.gz VZEHTXYUWAAMSS-MROQNXINSA-N 2 0 226.364 1.125 10 0 BDAERP C(C[NH2+][C@@H]1CCC[NH2+]CC1)C[C@H]1CCOC1 ZINC000401920008 527486067 /nfs/dbraw/zinc/48/60/67/527486067.db2.gz DNYOCMMEHVGCQY-QWHCGFSZSA-N 2 0 226.364 1.535 10 0 BDAERP CCC[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)OC ZINC000400356858 528155444 /nfs/dbraw/zinc/15/54/44/528155444.db2.gz AUJHEZJGOHKVQF-GRYCIOLGSA-N 2 0 214.353 1.389 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400353308 528502141 /nfs/dbraw/zinc/50/21/41/528502141.db2.gz LCFDAWWGMOUGBL-HZSPNIEDSA-N 2 0 241.423 1.550 10 0 BDAERP CCC[N@H+](C)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080513 537904154 /nfs/dbraw/zinc/90/41/54/537904154.db2.gz SGOZIZRFZGRWIC-QWRGUYRKSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]1CC[C@@]2(CCCN2CC[NH+](C)C)C[NH2+]1 ZINC000757127988 582503192 /nfs/dbraw/zinc/50/31/92/582503192.db2.gz IMWLYRMQYQRHDL-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CCCF)C1 ZINC000757131046 582505738 /nfs/dbraw/zinc/50/57/38/582505738.db2.gz OYCHGJSXRCGDTB-RYUDHWBXSA-N 2 0 214.328 1.810 10 0 BDAERP FCCC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757132588 582507953 /nfs/dbraw/zinc/50/79/53/582507953.db2.gz RMMAUXSEAGOSNF-UHFFFAOYSA-N 2 0 200.301 1.564 10 0 BDAERP C1CC1[NH+]1CCC2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757139833 582520280 /nfs/dbraw/zinc/52/02/80/582520280.db2.gz IEJNSPIKOGHQAY-UHFFFAOYSA-N 2 0 236.359 1.731 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757148533 582532606 /nfs/dbraw/zinc/53/26/06/582532606.db2.gz VFWSDKLJQMRKHV-AWEZNQCLSA-N 2 0 238.375 1.979 10 0 BDAERP CC(C)C[NH+]1CCC2(CCO[C@H]2C[NH3+])CC1 ZINC000757208130 586437815 /nfs/dbraw/zinc/43/78/15/586437815.db2.gz FMXQYRPQHGJYFI-LBPRGKRZSA-N 2 0 226.364 1.472 10 0 BDAERP c1cc2c(c(C3CC[NH2+]CC3)c1)CC[NH2+]C2 ZINC000757211707 586438966 /nfs/dbraw/zinc/43/89/66/586438966.db2.gz INTIKVYRCJCRKY-UHFFFAOYSA-N 2 0 216.328 1.799 10 0 BDAERP [NH3+]C[C@H]1CC[C@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757212943 586439302 /nfs/dbraw/zinc/43/93/02/586439302.db2.gz KIOPQEFZWLHDSS-PSASIEDQSA-N 2 0 224.329 1.560 10 0 BDAERP [NH3+]CC[C@H]1CC[C@H](c2ccc(C[NH3+])cc2)[NH2+]C1 ZINC000757217189 586441192 /nfs/dbraw/zinc/44/11/92/586441192.db2.gz RMKNHUCAMXBLJM-TZMCWYRMSA-N 3 0 233.359 1.535 10 0 BDAERP [NH3+]CC[C@@H]1CC[C@@H](c2ccc(C[NH3+])cc2)[NH2+]C1 ZINC000757217149 586441400 /nfs/dbraw/zinc/44/14/00/586441400.db2.gz RMKNHUCAMXBLJM-JSGCOSHPSA-N 3 0 233.359 1.535 10 0 BDAERP C[C@@H]1N[C@@H](c2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000757217733 586441764 /nfs/dbraw/zinc/44/17/64/586441764.db2.gz SDEIQVAUWPLADC-ZWKOPEQDSA-N 2 0 219.332 1.286 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1N[C@@H](C)CC[C@H]1[NH3+] ZINC000757228360 586442926 /nfs/dbraw/zinc/44/29/26/586442926.db2.gz CJNJHUYNNJOXHA-BIMULSAOSA-N 2 0 219.332 1.718 10 0 BDAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2cnn(C)c2)[NH2+]1 ZINC000757234055 586443389 /nfs/dbraw/zinc/44/33/89/586443389.db2.gz KFBQEDMKSFIPCW-LUTQBAROSA-N 2 0 222.336 1.054 10 0 BDAERP Cc1ccc(N)cc1[C@H]1CC[C@@H](CC[NH3+])C[NH2+]1 ZINC000757238493 586444132 /nfs/dbraw/zinc/44/41/32/586444132.db2.gz SBTWBSLXQQXFNE-SMDDNHRTSA-N 2 0 233.359 1.967 10 0 BDAERP N[C@H]1C[NH2+]CC[C@H]1c1cc(F)ccc1F ZINC000213184003 631250806 /nfs/dbraw/zinc/25/08/06/631250806.db2.gz KHTNUQUUIXYWKJ-KWQFWETISA-N 2 0 212.243 1.369 10 0 BDAERP C[C@@H](O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000235292171 632614901 /nfs/dbraw/zinc/61/49/01/632614901.db2.gz VLAGUUFBZGRGRI-LLVKDONJSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000123492617 634240139 /nfs/dbraw/zinc/24/01/39/634240139.db2.gz KAXTYSDKLPVSHQ-AXFHLTTASA-N 2 0 214.378 1.551 10 0 BDAERP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250827191 635498254 /nfs/dbraw/zinc/49/82/54/635498254.db2.gz YIGJNWGQFWEZSG-YUTCNCBUSA-N 2 0 216.328 1.823 10 0 BDAERP C[NH+]1CCC(C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000054243385 636242793 /nfs/dbraw/zinc/24/27/93/636242793.db2.gz QNTRLGXGSYBYSN-ZDUSSCGKSA-N 2 0 226.364 1.487 10 0 BDAERP CC(C)C[C@H](O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000226076150 640727107 /nfs/dbraw/zinc/72/71/07/640727107.db2.gz ACPNTRASWZYKEU-RYUDHWBXSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253236130 642633205 /nfs/dbraw/zinc/63/32/05/642633205.db2.gz NJTQQHIHIUDOBZ-IJLUTSLNSA-N 2 0 212.337 1.082 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CCC[NH2+]1 ZINC000227650072 642973074 /nfs/dbraw/zinc/97/30/74/642973074.db2.gz KXSQWXLCNTXORA-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[C@H]1CC[NH2+]C2(CC[NH+](C)CC2)O1 ZINC000757142169 643302928 /nfs/dbraw/zinc/30/29/28/643302928.db2.gz CUBOWIYRIIHPQI-NSHDSACASA-N 2 0 212.337 1.587 10 0 BDAERP Cc1ccc(N)cc1[C@H]1[NH2+]CCC[C@H]1C[NH3+] ZINC000757236362 643373810 /nfs/dbraw/zinc/37/38/10/643373810.db2.gz OJKAUUDKDVIIHE-GWCFXTLKSA-N 2 0 219.332 1.577 10 0 BDAERP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1N(C)C ZINC000251841022 644827160 /nfs/dbraw/zinc/82/71/60/644827160.db2.gz QMAYTBQZRTXGIT-CHWSQXEVSA-N 2 0 227.396 1.387 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723882109 711543082 /nfs/dbraw/zinc/54/30/82/711543082.db2.gz FLFBGDIFCSOATN-VXGBXAGGSA-N 2 0 219.332 1.811 10 0 BDAERP [NH3+][C@H](CC(F)F)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000310082249 711708144 /nfs/dbraw/zinc/70/81/44/711708144.db2.gz KIJGZKYHWGIFKV-GHMZBOCLSA-N 2 0 247.333 1.139 10 0 BDAERP Cc1[nH+]ccc(N[C@@H]2C[NH2+]C[C@H]2C)c1Cl ZINC000721894054 711812204 /nfs/dbraw/zinc/81/22/04/711812204.db2.gz ACEQXPSTVCGSMY-GMSGAONNSA-N 2 0 225.723 1.485 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1[NH3+] ZINC000709695127 712215948 /nfs/dbraw/zinc/21/59/48/712215948.db2.gz BYHNRJXVVNKKOP-UTUOFQBUSA-N 2 0 240.391 1.859 10 0 BDAERP COCC1CC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000713930049 712473571 /nfs/dbraw/zinc/47/35/71/712473571.db2.gz ZDEBDNPSONXBKF-POOIEITISA-N 2 0 226.364 1.519 10 0 BDAERP Cc1[nH+]ccc(NC[C@@H]2C[NH2+]C[C@H]2C)c1Cl ZINC000723820747 710732918 /nfs/dbraw/zinc/73/29/18/710732918.db2.gz IIUDBWVZMKGWOH-SCZZXKLOSA-N 2 0 239.750 1.733 10 0 BDAERP Cc1c[nH+]ccc1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000723811134 710733364 /nfs/dbraw/zinc/73/33/64/710733364.db2.gz AYUQNFZCDLZGOL-KOLCDFICSA-N 2 0 205.305 1.079 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000723956712 710734923 /nfs/dbraw/zinc/73/49/23/710734923.db2.gz RCSFBQXVICATTK-RQJABVFESA-N 2 0 240.391 1.779 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CC[NH2+]C1 ZINC000722323088 711737026 /nfs/dbraw/zinc/73/70/26/711737026.db2.gz WHCKWZVLGSLQHK-PYJNHQTQSA-N 2 0 238.375 1.532 10 0 BDAERP Cc1ccccc1OCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708841595 712200830 /nfs/dbraw/zinc/20/08/30/712200830.db2.gz UFHSLZLURUIKSD-UONOGXRCSA-N 2 0 248.370 1.900 10 0 BDAERP COC1CC(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709849261 712229867 /nfs/dbraw/zinc/22/98/67/712229867.db2.gz NSBQTRIWCRLVKB-RUXDESIVSA-N 2 0 238.375 1.487 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@H]1CCC[NH2+]C1 ZINC000711034869 712275602 /nfs/dbraw/zinc/27/56/02/712275602.db2.gz OARQDVPNIDNBNF-RWMBFGLXSA-N 2 0 224.348 1.657 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1C=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000711758199 712323778 /nfs/dbraw/zinc/32/37/78/712323778.db2.gz GLAPYRQRQWPAOT-YNEHKIRRSA-N 2 0 208.349 1.930 10 0 BDAERP COCC1CC([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000714004594 712476859 /nfs/dbraw/zinc/47/68/59/712476859.db2.gz DAQNDAJZPDFTDA-ADPBJBESSA-N 2 0 212.337 1.128 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H]2CCO[C@H]2C)CC1 ZINC000714753588 712497310 /nfs/dbraw/zinc/49/73/10/712497310.db2.gz KMPPPEHLSOTTLZ-QWRGUYRKSA-N 2 0 212.337 1.367 10 0 BDAERP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CCCOCC2 ZINC000685953930 538898639 /nfs/dbraw/zinc/89/86/39/538898639.db2.gz JPMRAJZMKVSZMO-NWDGAFQWSA-N 2 0 212.337 1.367 10 0 BDAERP CC[N@@H+]1CC[C@@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955184 538900587 /nfs/dbraw/zinc/90/05/87/538900587.db2.gz VRJQPRHZDHCKMB-KXNHARMFSA-N 2 0 212.337 1.366 10 0 BDAERP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000386772762 398219702 /nfs/dbraw/zinc/21/97/02/398219702.db2.gz KSQWGZLAIZVLTE-MELADBBJSA-N 2 0 248.374 1.169 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@@H+]1C ZINC000164017329 538931359 /nfs/dbraw/zinc/93/13/59/538931359.db2.gz CVOBEPYWGUCVMW-UTUOFQBUSA-N 2 0 228.380 1.466 10 0 BDAERP CCC(CC)[N@H+](C)CCC(=O)N(C)CCC[NH3+] ZINC000036788597 168368679 /nfs/dbraw/zinc/36/86/79/168368679.db2.gz YWUAVMCMSOPIIZ-UHFFFAOYSA-N 2 0 243.395 1.304 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378756792 346825081 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345727309 /nfs/dbraw/zinc/72/73/09/345727309.db2.gz UZFHLXSNXULGDQ-FPMFFAJLSA-N 2 0 240.391 1.515 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2ccc[nH]2)CC1 ZINC000257351884 345773819 /nfs/dbraw/zinc/77/38/19/345773819.db2.gz HRKRHXHZODRKNS-MGCOHNPYSA-N 2 0 221.304 1.057 10 0 BDAERP C[C@H](CC[NH3+])Nc1ccncc1Br ZINC000160031722 345788845 /nfs/dbraw/zinc/78/88/45/345788845.db2.gz UTJNSXZCCGVGRA-SSDOTTSWSA-N 2 0 244.136 1.993 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378414 537965995 /nfs/dbraw/zinc/96/59/95/537965995.db2.gz DMZJLPXVXFRWJC-UPJWGTAASA-N 2 0 225.380 1.045 10 0 BDAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCC(=O)C2)C1 ZINC000250753414 362818213 /nfs/dbraw/zinc/81/82/13/362818213.db2.gz PLYGCIDNRQOYQJ-MNOVXSKESA-N 2 0 210.321 1.039 10 0 BDAERP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000251339537 362863707 /nfs/dbraw/zinc/86/37/07/362863707.db2.gz PYMSZAOTZIIHEV-QWRGUYRKSA-N 2 0 214.378 1.553 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250228492 349168829 /nfs/dbraw/zinc/16/88/29/349168829.db2.gz FTRAGLXJAYIQHV-AGIUHOORSA-N 2 0 225.380 1.330 10 0 BDAERP C[NH+](C)[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616586368 349385370 /nfs/dbraw/zinc/38/53/70/349385370.db2.gz KXMXDQBKFBMXLA-GFCCVEGCSA-N 2 0 219.332 1.458 10 0 BDAERP CCCN1C(C[NH3+])=CC=C(C[NH3+])N1CCC ZINC000222926153 350255932 /nfs/dbraw/zinc/25/59/32/350255932.db2.gz LJGQIYVQHWKICR-UHFFFAOYSA-N 2 0 224.352 1.024 10 0 BDAERP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000163263970 350513813 /nfs/dbraw/zinc/51/38/13/350513813.db2.gz KHDXVRSNFQJWHY-CQSZACIVSA-N 2 0 238.375 1.585 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000336654092 350597739 /nfs/dbraw/zinc/59/77/39/350597739.db2.gz JYAZMTBJFHXYCZ-STQMWFEESA-N 2 0 227.396 1.578 10 0 BDAERP [NH3+]CC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616651589 351182523 /nfs/dbraw/zinc/18/25/23/351182523.db2.gz CIYOZIKZBUOMOP-CQSZACIVSA-N 2 0 234.343 1.626 10 0 BDAERP C[NH2+]CC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000063158933 351263101 /nfs/dbraw/zinc/26/31/01/351263101.db2.gz ICNOVEMDUDCQLD-LLVKDONJSA-N 2 0 214.378 1.423 10 0 BDAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000386584481 363017312 /nfs/dbraw/zinc/01/73/12/363017312.db2.gz IBSCDKZSCMHITK-XQQFMLRXSA-N 2 0 247.342 1.259 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cccc(Br)c1F ZINC000306914411 351327379 /nfs/dbraw/zinc/32/73/79/351327379.db2.gz UZQZCJPAHNHVIS-QMMMGPOBSA-N 2 0 247.111 1.937 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CSC2(C)C)C1 ZINC000307147501 351500658 /nfs/dbraw/zinc/50/06/58/351500658.db2.gz IBIVVSRILBBTMQ-UWVGGRQHSA-N 2 0 214.378 1.422 10 0 BDAERP C[C@@H]1[C@@H]([NH3+])CCN1CC1CC(F)(F)C1 ZINC000307254570 351789107 /nfs/dbraw/zinc/78/91/07/351789107.db2.gz XZXDHQDSMGBNAX-APPZFPTMSA-N 2 0 204.264 1.453 10 0 BDAERP COC(C)(C)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000300937864 363169489 /nfs/dbraw/zinc/16/94/89/363169489.db2.gz GCNCHFPLUAJCPV-VIFPVBQESA-N 2 0 200.326 1.223 10 0 BDAERP CC(C)(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000028521372 188283707 /nfs/dbraw/zinc/28/37/07/188283707.db2.gz ZFNKZZOTVBTFAO-UHFFFAOYSA-N 2 0 239.407 1.532 10 0 BDAERP CC(C)[NH+]1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC000054135054 188300080 /nfs/dbraw/zinc/30/00/80/188300080.db2.gz VMUIXXRAGFONRZ-ZDUSSCGKSA-N 2 0 225.380 1.155 10 0 BDAERP [NH3+]Cc1ccccc1C[N@@H+]1CCCOCC1 ZINC000061914885 188302614 /nfs/dbraw/zinc/30/26/14/188302614.db2.gz MHCDSGOQVFFRQG-UHFFFAOYSA-N 2 0 220.316 1.368 10 0 BDAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])CC(C)(C)C)CC1 ZINC000061839805 188302682 /nfs/dbraw/zinc/30/26/82/188302682.db2.gz SJHVRPFEPXGJAL-CYBMUJFWSA-N 2 0 241.423 1.776 10 0 BDAERP C1CC[NH+]([C@H]2CCN([C@H]3CCCC[NH2+]C3)C2)C1 ZINC000062974502 188303990 /nfs/dbraw/zinc/30/39/90/188303990.db2.gz YEISJKBQZOOMHB-KBPBESRZSA-N 2 0 237.391 1.299 10 0 BDAERP c1ccc2c(c1)CN([C@H]1CCC[NH2+]C1)C=[NH+]2 ZINC000095082677 188318678 /nfs/dbraw/zinc/31/86/78/188318678.db2.gz HMIMBFCKNCOGTD-LBPRGKRZSA-N 2 0 215.300 1.914 10 0 BDAERP C[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCS2)C1 ZINC000044538296 188326373 /nfs/dbraw/zinc/32/63/73/188326373.db2.gz FXPQYMINNYZHQK-JTQLQIEISA-N 2 0 227.377 1.411 10 0 BDAERP C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCSC1 ZINC000336231008 188338136 /nfs/dbraw/zinc/33/81/36/188338136.db2.gz BBTGMBFWNIBQSZ-NEPJUHHUSA-N 2 0 228.405 1.861 10 0 BDAERP CC(C)(C)[C@H]([NH3+])CC[NH+]1CCC(O)CC1 ZINC000054026906 188352390 /nfs/dbraw/zinc/35/23/90/188352390.db2.gz ICQBWUHBTGPFER-LLVKDONJSA-N 2 0 214.353 1.207 10 0 BDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCO[C@H](C)C1 ZINC000061914811 188360197 /nfs/dbraw/zinc/36/01/97/188360197.db2.gz MXOFMHBPQCGZOW-GHMZBOCLSA-N 2 0 200.326 1.225 10 0 BDAERP O[C@@H](C[NH+]1CCCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059550 538483934 /nfs/dbraw/zinc/48/39/34/538483934.db2.gz SHHVJLGGYABKMU-HNNXBMFYSA-N 2 0 246.354 1.462 10 0 BDAERP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423099690 192566964 /nfs/dbraw/zinc/56/69/64/192566964.db2.gz MIBKDEJGBPMXLT-BYNQJWBRSA-N 2 0 240.391 1.778 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059684 538485082 /nfs/dbraw/zinc/48/50/82/538485082.db2.gz UERZXALTOQTKPN-HNNXBMFYSA-N 2 0 248.370 1.706 10 0 BDAERP Cc1cc(C2=C[C@H](N)C[NH2+]C2)cnc1C ZINC000675078587 538516451 /nfs/dbraw/zinc/51/64/51/538516451.db2.gz RBFRIGIYCCHJSB-LBPRGKRZSA-N 2 0 203.289 1.012 10 0 BDAERP CC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675078864 538517717 /nfs/dbraw/zinc/51/77/17/538517717.db2.gz AMFCQJMHQLNKPP-AXFHLTTASA-N 2 0 212.337 1.271 10 0 BDAERP CCN1CC[NH+]([C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000257789122 538766539 /nfs/dbraw/zinc/76/65/39/538766539.db2.gz WWIMIKNQYNZODE-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP CC1CCC(C[NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000231329857 357612842 /nfs/dbraw/zinc/61/28/42/357612842.db2.gz BQMISUMFICHZTQ-JXQTWKCFSA-N 2 0 242.407 1.715 10 0 BDAERP CC(C)[NH2+]Cc1ccc2c(c1)C[C@H]([NH3+])C2 ZINC000685949080 538891964 /nfs/dbraw/zinc/89/19/64/538891964.db2.gz KETFWBPKMLCMCE-CYBMUJFWSA-N 2 0 204.317 1.611 10 0 BDAERP Cc1c[nH+]cc(C)c1N1C[C@H](C)[NH2+]C[C@H]1C ZINC000685950502 538893774 /nfs/dbraw/zinc/89/37/74/538893774.db2.gz ALJUGRDIEFMNFR-NWDGAFQWSA-N 2 0 219.332 1.885 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCCSCC1 ZINC000685950552 538893988 /nfs/dbraw/zinc/89/39/88/538893988.db2.gz BARYPZGQTZXZRA-GHMZBOCLSA-N 2 0 228.405 1.669 10 0 BDAERP C[C@@H]1CCC[N@@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685950936 538894675 /nfs/dbraw/zinc/89/46/75/538894675.db2.gz IPOPEUXOCIBEIZ-WOPDTQHZSA-N 2 0 210.365 1.962 10 0 BDAERP Cc1c[nH+]cc(C)c1N1CCC[NH2+]CC1 ZINC000685951802 538895552 /nfs/dbraw/zinc/89/55/52/538895552.db2.gz YXHYWDIFQNJMOY-UHFFFAOYSA-N 2 0 205.305 1.498 10 0 BDAERP C[C@H]([NH2+]CCOCC(F)F)[C@H]1CCC[NH2+]C1 ZINC000578314079 366497145 /nfs/dbraw/zinc/49/71/45/366497145.db2.gz ZQZFKXHTBIIARD-UWVGGRQHSA-N 2 0 236.306 1.246 10 0 BDAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCS[C@H]2C)C1 ZINC000300352035 358970768 /nfs/dbraw/zinc/97/07/68/358970768.db2.gz GXTRRXANZGVJFB-UKKRHICBSA-N 2 0 214.378 1.550 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CCS[C@H]2C)C[C@@H]1[NH3+] ZINC000300352071 358971710 /nfs/dbraw/zinc/97/17/10/358971710.db2.gz HMAZSQDLLWSMTC-XFWSIPNHSA-N 2 0 200.351 1.159 10 0 BDAERP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCSC2)[C@H](C)C1 ZINC000299969723 358958342 /nfs/dbraw/zinc/95/83/42/358958342.db2.gz RNWVIHWQDWKLHH-MXWKQRLJSA-N 2 0 214.378 1.564 10 0 BDAERP C[NH2+][C@@H]1CCN([C@H]2CSC[C@@H]2C)C1 ZINC000306410279 359795478 /nfs/dbraw/zinc/79/54/78/359795478.db2.gz RAWFRSFTMPVAPY-AEJSXWLSSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CCSC2)CCC[NH2+]1 ZINC000231423571 360335645 /nfs/dbraw/zinc/33/56/45/360335645.db2.gz KFJLVRPQAFXIBD-NXEZZACHSA-N 2 0 200.351 1.176 10 0 BDAERP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440677 360308219 /nfs/dbraw/zinc/30/82/19/360308219.db2.gz NSRZJTPUUCNZHM-ZIAGYGMSSA-N 2 0 239.407 1.530 10 0 BDAERP C[C@H](CCO)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578994703 366689959 /nfs/dbraw/zinc/68/99/59/366689959.db2.gz KOWCNZBUUQQIOQ-RWMBFGLXSA-N 2 0 228.380 1.373 10 0 BDAERP [NH3+]C1(C[NH2+]C[C@@H]2CCOC2)CCCCC1 ZINC000061147475 181332226 /nfs/dbraw/zinc/33/22/26/181332226.db2.gz UPCCKPPAKZZIFI-NSHDSACASA-N 2 0 212.337 1.274 10 0 BDAERP CO[C@H]1C[C@@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000629553880 361439824 /nfs/dbraw/zinc/43/98/24/361439824.db2.gz CXUXJHRXTUDLAE-LPQWGVIOSA-N 2 0 212.337 1.271 10 0 BDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000629555589 361447000 /nfs/dbraw/zinc/44/70/00/361447000.db2.gz YLBCRCOQJDCTCG-UTUOFQBUSA-N 2 0 212.337 1.143 10 0 BDAERP [NH3+]C1CCC(C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000040410554 181341257 /nfs/dbraw/zinc/34/12/57/181341257.db2.gz WHEXUDIVFOVGHR-MCIGGMRASA-N 2 0 212.337 1.273 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000094076500 181341285 /nfs/dbraw/zinc/34/12/85/181341285.db2.gz VCHZADAWSOYDCP-RUXDESIVSA-N 2 0 234.343 1.580 10 0 BDAERP [NH3+]C1CCC(OCC[NH+]2CCCC2)CC1 ZINC000055142805 181342380 /nfs/dbraw/zinc/34/23/80/181342380.db2.gz XZICVNRXHHRECU-UHFFFAOYSA-N 2 0 212.337 1.369 10 0 BDAERP CO[C@H]1CN(CCCCCF)[C@@](C)(C[NH3+])C1 ZINC000630368217 364085067 /nfs/dbraw/zinc/08/50/67/364085067.db2.gz QZBYSDCTECCHKT-VXGBXAGGSA-N 2 0 232.343 1.564 10 0 BDAERP CO[C@H]1C[N@H+](CC2CC(C)(C)C2)[C@@](C)(C[NH3+])C1 ZINC000630366298 364086207 /nfs/dbraw/zinc/08/62/07/364086207.db2.gz KALHALIMQXGIER-TZMCWYRMSA-N 2 0 240.391 1.861 10 0 BDAERP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]c(C)c1 ZINC000630528647 364216241 /nfs/dbraw/zinc/21/62/41/364216241.db2.gz LNTDXPYVRDPFHG-NWDGAFQWSA-N 2 0 205.305 1.364 10 0 BDAERP NCC1([NH+]2CCCCCCC2)CCOCC1 ZINC000036304870 181360576 /nfs/dbraw/zinc/36/05/76/181360576.db2.gz IMSQWZVWQDNUOQ-UHFFFAOYSA-N 2 0 226.364 1.760 10 0 BDAERP [NH3+]CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000037713834 181383210 /nfs/dbraw/zinc/38/32/10/181383210.db2.gz BWMVNOMFGSJIEZ-UHFFFAOYSA-N 2 0 230.315 1.311 10 0 BDAERP [NH3+]C[C@@H](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000068591196 181418668 /nfs/dbraw/zinc/41/86/68/181418668.db2.gz GOSJQQCNDGBFAB-CQSZACIVSA-N 2 0 218.344 1.804 10 0 BDAERP C[C@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000576209061 365522162 /nfs/dbraw/zinc/52/21/62/365522162.db2.gz OJKYJZPVXVLEMT-AGIUHOORSA-N 2 0 227.396 1.304 10 0 BDAERP C[C@H](c1cnn(C)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383344888 367615589 /nfs/dbraw/zinc/61/55/89/367615589.db2.gz LZPSEKJTXGGVNZ-NQBHXWOUSA-N 2 0 236.363 1.398 10 0 BDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000383914917 367658922 /nfs/dbraw/zinc/65/89/22/367658922.db2.gz GDUYLLXNSBWQBX-WCQYABFASA-N 2 0 220.316 1.609 10 0 BDAERP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000581661073 367661735 /nfs/dbraw/zinc/66/17/35/367661735.db2.gz JAWFUAKRVNVRTO-KKOKHZNYSA-N 2 0 228.405 1.716 10 0 BDAERP CCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000568987925 326384991 /nfs/dbraw/zinc/38/49/91/326384991.db2.gz VMCTVHISNYISMX-QWRGUYRKSA-N 2 0 200.326 1.001 10 0 BDAERP C[C@H]1SCC[N@H+](CCC(C)(C)[NH3+])[C@@H]1C ZINC000132465873 371830628 /nfs/dbraw/zinc/83/06/28/371830628.db2.gz XPKGBSJKBVHKTI-NXEZZACHSA-N 2 0 216.394 1.940 10 0 BDAERP CC[C@@H]1CS[C@@]2(C[NH2+]C[C@@H](C)C2)N1 ZINC000401709547 371800300 /nfs/dbraw/zinc/80/03/00/371800300.db2.gz UUZPWTRIOYYPHQ-AEJSXWLSSA-N 2 0 200.351 1.427 10 0 BDAERP C[C@H](CNC1=[NH+][C@H](C)CCS1)[NH+](C)C ZINC000133594611 372080468 /nfs/dbraw/zinc/08/04/68/372080468.db2.gz DTGHJEQRGYPRGI-RKDXNWHRSA-N 2 0 215.366 1.408 10 0 BDAERP Cc1cccnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837902 372630392 /nfs/dbraw/zinc/63/03/92/372630392.db2.gz GWVZTWXXGJBIBZ-NEPJUHHUSA-N 2 0 219.332 1.417 10 0 BDAERP COc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838942 372634588 /nfs/dbraw/zinc/63/45/88/372634588.db2.gz XHXREPUQNAOPIU-AAEUAGOBSA-N 2 0 234.343 1.722 10 0 BDAERP Cc1ncsc1CC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840331 372635624 /nfs/dbraw/zinc/63/56/24/372635624.db2.gz RMXGIDPUNDRNSU-KOLCDFICSA-N 2 0 239.388 1.521 10 0 BDAERP Cc1cc(N2CCC3(CC[NH2+]C3)CC2)cc[nH+]1 ZINC000141505948 372965851 /nfs/dbraw/zinc/96/58/51/372965851.db2.gz HFEWGHYEGAOUKZ-UHFFFAOYSA-N 2 0 231.343 1.970 10 0 BDAERP OCC[N@H+](CCC[NH2+]C1CC1)C1CCCCC1 ZINC000042513796 183065506 /nfs/dbraw/zinc/06/55/06/183065506.db2.gz SRBVBMNHDWXVTJ-UHFFFAOYSA-N 2 0 240.391 1.756 10 0 BDAERP OCC[NH2+]CCC[NH2+]Cc1cccc(Cl)c1 ZINC000013732704 183078085 /nfs/dbraw/zinc/07/80/85/183078085.db2.gz RNWWCDPSXIQQTB-UHFFFAOYSA-N 2 0 242.750 1.402 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H]([NH3+])CC(C)C ZINC000220960027 134314796 /nfs/dbraw/zinc/31/47/96/134314796.db2.gz NIIXHJVSBHQCOF-UONOGXRCSA-N 2 0 241.423 1.776 10 0 BDAERP CCC[NH+]1CCN([C@@H](C[NH3+])CC(C)C)CC1 ZINC000022173174 169203083 /nfs/dbraw/zinc/20/30/83/169203083.db2.gz RJVCCLXFXDMGTP-CYBMUJFWSA-N 2 0 227.396 1.387 10 0 BDAERP c1cc(C[NH+]2CC3(C2)CC[NH2+]CC3)ccn1 ZINC000003955766 183339591 /nfs/dbraw/zinc/33/95/91/183339591.db2.gz RKENGOFKKBOAQP-UHFFFAOYSA-N 2 0 217.316 1.267 10 0 BDAERP CCC[NH2+]CCNCC[NH+]1CCCCCC1 ZINC000049478424 169259695 /nfs/dbraw/zinc/25/96/95/169259695.db2.gz FFVUFBMIFGJADC-UHFFFAOYSA-N 2 0 227.396 1.452 10 0 BDAERP CCC[NH2+]C[C@@H]1CC[C@H](COCC[NH+](C)C)O1 ZINC000052669849 169262140 /nfs/dbraw/zinc/26/21/40/169262140.db2.gz AJLSMPHHPIPJDX-QWHCGFSZSA-N 2 0 244.379 1.112 10 0 BDAERP CCC[NH2+]C[C@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074068 169263086 /nfs/dbraw/zinc/26/30/86/169263086.db2.gz KBLZTBMOBHIGDX-KGLIPLIRSA-N 2 0 241.423 1.791 10 0 BDAERP c1ccc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC000028521492 183397075 /nfs/dbraw/zinc/39/70/75/183397075.db2.gz JSIZRGCCLBWJOQ-UHFFFAOYSA-N 2 0 246.354 1.641 10 0 BDAERP CCC[NH2+][C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000040715858 169283445 /nfs/dbraw/zinc/28/34/45/169283445.db2.gz PSNFSOTYRUOTQR-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH2+][C@H]1CCN(C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000037645100 169291661 /nfs/dbraw/zinc/29/16/61/169291661.db2.gz AJSRIUROGIGLSA-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP CCC[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022162791 169384061 /nfs/dbraw/zinc/38/40/61/169384061.db2.gz NPBFPPNOIUOKLU-LBPRGKRZSA-N 2 0 213.369 1.140 10 0 BDAERP C[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000221432247 134324118 /nfs/dbraw/zinc/32/41/18/134324118.db2.gz WHTVQZKFMLVFOV-OLZOCXBDSA-N 2 0 226.364 1.175 10 0 BDAERP CC[NH+](CC)CCNc1cc(N)[nH+]c(C)n1 ZINC000087807641 383866700 /nfs/dbraw/zinc/86/67/00/383866700.db2.gz QUVNSPOUVNNGAA-UHFFFAOYSA-N 2 0 223.324 1.121 10 0 BDAERP [NH3+][C@H](CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095077234 384352847 /nfs/dbraw/zinc/35/28/47/384352847.db2.gz PYWOWVDBIHYQJK-HUUCEWRRSA-N 2 0 248.370 1.608 10 0 BDAERP C[NH+](C)CCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745019 384353734 /nfs/dbraw/zinc/35/37/34/384353734.db2.gz FUSVWMCWZZVJML-AWEZNQCLSA-N 2 0 234.343 1.963 10 0 BDAERP c1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]1)C=[NH+]2 ZINC000095080707 384359028 /nfs/dbraw/zinc/35/90/28/384359028.db2.gz LICHQFNMUOYTPQ-LBPRGKRZSA-N 2 0 215.300 1.914 10 0 BDAERP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000335659921 384462397 /nfs/dbraw/zinc/46/23/97/384462397.db2.gz AMCQFBGLYBUWBG-SECBINFHSA-N 2 0 218.291 1.763 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000400622112 384536517 /nfs/dbraw/zinc/53/65/17/384536517.db2.gz JRLRORFDHSTJDT-SRVKXCTJSA-N 2 0 212.337 1.286 10 0 BDAERP c1nc(C2CC[NH2+]CC2)n2c1CCCC2 ZINC000082931244 384728173 /nfs/dbraw/zinc/72/81/73/384728173.db2.gz IHYHCFBFUDFOCY-UHFFFAOYSA-N 2 0 205.305 1.686 10 0 BDAERP CO[C@H](C)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000308549429 384797677 /nfs/dbraw/zinc/79/76/77/384797677.db2.gz SUHWQGLQQVLQLQ-GHMZBOCLSA-N 2 0 200.326 1.143 10 0 BDAERP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000335583089 384930270 /nfs/dbraw/zinc/93/02/70/384930270.db2.gz URPQCUDZRXVWIF-WDEREUQCSA-N 2 0 205.305 1.494 10 0 BDAERP COc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1 ZINC000258690149 384930965 /nfs/dbraw/zinc/93/09/65/384930965.db2.gz FTXIINHAZXGGBD-SNVBAGLBSA-N 2 0 208.305 1.522 10 0 BDAERP FC1(F)CC(C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000336232823 385056845 /nfs/dbraw/zinc/05/68/45/385056845.db2.gz ZPROITKAIHTXMM-JTQLQIEISA-N 2 0 218.291 1.763 10 0 BDAERP CCOC[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000409428967 385328573 /nfs/dbraw/zinc/32/85/73/385328573.db2.gz NKLIPFPYZMEGRL-LBPRGKRZSA-N 2 0 212.337 1.239 10 0 BDAERP C([C@H]1CCCC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000169726670 385418376 /nfs/dbraw/zinc/41/83/76/385418376.db2.gz NDQFXYGSIYHDPC-QWHCGFSZSA-N 2 0 208.349 1.860 10 0 BDAERP c1cnc(N2CC[NH2+]CC2)c(C[NH+]2CCCC2)c1 ZINC000253567003 385683399 /nfs/dbraw/zinc/68/33/99/385683399.db2.gz JPXQGEHFESMDPL-UHFFFAOYSA-N 2 0 246.358 1.087 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000647803749 385839357 /nfs/dbraw/zinc/83/93/57/385839357.db2.gz AMHLRWRHEPPBDX-NNYUYHANSA-N 2 0 228.405 1.858 10 0 BDAERP CC1(C)SC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000307165979 386010286 /nfs/dbraw/zinc/01/02/86/386010286.db2.gz NTXMRULNTZMFBG-SECBINFHSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCS2)[C@@H]1C ZINC000575585803 386287352 /nfs/dbraw/zinc/28/73/52/386287352.db2.gz XMJQOFIOHQIRLF-OPRDCNLKSA-N 2 0 200.351 1.032 10 0 BDAERP C[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000336666433 386294315 /nfs/dbraw/zinc/29/43/15/386294315.db2.gz GGBZFZRKLREURN-GFCCVEGCSA-N 2 0 226.364 1.175 10 0 BDAERP Cc1c[nH+]ccc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000335583433 386352469 /nfs/dbraw/zinc/35/24/69/386352469.db2.gz YPQAPTZFDONOJG-QWRGUYRKSA-N 2 0 205.305 1.494 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000519693488 386528996 /nfs/dbraw/zinc/52/89/96/386528996.db2.gz QUFFYZURDRWWOJ-AVGNSLFASA-N 2 0 226.364 1.533 10 0 BDAERP COCCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400741770 533177410 /nfs/dbraw/zinc/17/74/10/533177410.db2.gz SXZIJMRMLORDBT-NEPJUHHUSA-N 2 0 228.380 1.637 10 0 BDAERP CC(C)C[C@@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000336670608 386805055 /nfs/dbraw/zinc/80/50/55/386805055.db2.gz FUUNFUWNGOJGLR-NEPJUHHUSA-N 2 0 216.369 1.501 10 0 BDAERP COc1cccc(F)c1[C@H]([NH3+])CCC[NH3+] ZINC000575438628 387131061 /nfs/dbraw/zinc/13/10/61/387131061.db2.gz MJVCQNHLDGNLNJ-SECBINFHSA-N 2 0 212.268 1.573 10 0 BDAERP Nc1ccc(Cl)cc1[C@H]([NH3+])CCC[NH3+] ZINC000575439118 387121126 /nfs/dbraw/zinc/12/11/26/387121126.db2.gz PFVOTFIEDXNKED-SECBINFHSA-N 2 0 213.712 1.661 10 0 BDAERP CC(=O)Oc1ccc([C@@H]([NH3+])CCC[NH3+])cc1 ZINC000575438447 387129102 /nfs/dbraw/zinc/12/91/02/387129102.db2.gz JBCVLFOQHDFJNA-LBPRGKRZSA-N 2 0 222.288 1.351 10 0 BDAERP C[C@@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000400578352 387136759 /nfs/dbraw/zinc/13/67/59/387136759.db2.gz PRVYCXAZVJTPIO-SRVKXCTJSA-N 2 0 225.380 1.057 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000575601545 387360096 /nfs/dbraw/zinc/36/00/96/387360096.db2.gz HKRGHGVKRMLJMQ-XQQFMLRXSA-N 2 0 225.380 1.330 10 0 BDAERP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCC[C@@H]1O ZINC000352668003 387430513 /nfs/dbraw/zinc/43/05/13/387430513.db2.gz OVTQRPRNFKMBHH-OLZOCXBDSA-N 2 0 226.364 1.318 10 0 BDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[C@@H]1O ZINC000352669587 387432215 /nfs/dbraw/zinc/43/22/15/387432215.db2.gz BBJDJFMQACOZJA-RDBSUJKOSA-N 2 0 240.391 1.706 10 0 BDAERP C[C@@H]1[C@@H]([NH3+])CC[N@H+](C2CSC2)[C@H]1C ZINC000575565181 387728458 /nfs/dbraw/zinc/72/84/58/387728458.db2.gz GFUHQETXYAVSIY-NRPADANISA-N 2 0 200.351 1.159 10 0 BDAERP C[N@H+]1C[C@@H]2C[NH+](CCc3ccncc3)C[C@@H]2C1 ZINC000193613625 387860591 /nfs/dbraw/zinc/86/05/91/387860591.db2.gz MNVDXESEWPWAHR-OKILXGFUSA-N 2 0 231.343 1.118 10 0 BDAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000423102675 387889572 /nfs/dbraw/zinc/88/95/72/387889572.db2.gz OLKBTHXLBLRUHC-XVIXHAIJSA-N 2 0 240.391 1.920 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C12CCC2 ZINC000423171303 387957277 /nfs/dbraw/zinc/95/72/77/387957277.db2.gz OBAQOIRKXZPSQC-FRRDWIJNSA-N 2 0 238.375 1.676 10 0 BDAERP C[C@@H]([NH2+]CCc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000400535250 388012079 /nfs/dbraw/zinc/01/20/79/388012079.db2.gz SYAAGUOTFTUITH-DGCLKSJQSA-N 2 0 236.334 1.956 10 0 BDAERP CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085967531 388097448 /nfs/dbraw/zinc/09/74/48/388097448.db2.gz RVLMQPUHDDNECE-JSGCOSHPSA-N 2 0 240.391 1.611 10 0 BDAERP C[C@@H](CN[C@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000086728975 388108416 /nfs/dbraw/zinc/10/84/16/388108416.db2.gz CUGJKNXGGIBUIO-STQMWFEESA-N 2 0 225.380 1.060 10 0 BDAERP C1C[C@@H]([NH2+][C@H]2CCCSCC2)C[NH2+]1 ZINC000575518827 388356494 /nfs/dbraw/zinc/35/64/94/388356494.db2.gz VZDMCGLUXFCMFT-VHSXEESVSA-N 2 0 200.351 1.224 10 0 BDAERP Cc1cccnc1CC[NH2+]C1CCC([NH3+])CC1 ZINC000404921698 388444041 /nfs/dbraw/zinc/44/40/41/388444041.db2.gz IHISHHOBSCRBGJ-UHFFFAOYSA-N 2 0 233.359 1.792 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CC[NH2+]C1 ZINC000307227388 388422391 /nfs/dbraw/zinc/42/23/91/388422391.db2.gz DLKPQKAYOJNJCX-DCAQKATOSA-N 2 0 214.378 1.470 10 0 BDAERP CC(C)(C)C[C@@H](CO)[NH2+]C1CC[NH2+]CC1 ZINC000393470617 388431505 /nfs/dbraw/zinc/43/15/05/388431505.db2.gz NALDWVJDQWWHRN-NSHDSACASA-N 2 0 214.353 1.125 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCS1)[C@H]1CCC[NH2+]C1 ZINC000573234934 388435314 /nfs/dbraw/zinc/43/53/14/388435314.db2.gz WWVJRWSUGYAQFC-SDDRHHMPSA-N 2 0 228.405 1.860 10 0 BDAERP Cc1ccc([C@H](O)C[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000070459734 388436761 /nfs/dbraw/zinc/43/67/61/388436761.db2.gz BJEHFRFHCSGQPL-OAHLLOKOSA-N 2 0 248.370 1.760 10 0 BDAERP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000517918249 388597543 /nfs/dbraw/zinc/59/75/43/388597543.db2.gz ADYZANLHZWPYLT-MJBXVCDLSA-N 2 0 241.423 1.694 10 0 BDAERP C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564824414 388891377 /nfs/dbraw/zinc/89/13/77/388891377.db2.gz NAGPEIMCRHBBGC-KGLIPLIRSA-N 2 0 239.407 1.450 10 0 BDAERP CC[NH+](CC)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089602 388986479 /nfs/dbraw/zinc/98/64/79/388986479.db2.gz VOOCMBUFWYKNQI-CHWSQXEVSA-N 2 0 227.396 1.306 10 0 BDAERP Cc1c([C@@H](C)[NH3+])cnn1-c1cc[nH+]cc1 ZINC000011851168 177625824 /nfs/dbraw/zinc/62/58/24/177625824.db2.gz MZKXEPDBIBMFIO-MRVPVSSYSA-N 2 0 202.261 1.595 10 0 BDAERP C[C@@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400318148 533392631 /nfs/dbraw/zinc/39/26/31/533392631.db2.gz AULDSAYYCLLPOH-CHWSQXEVSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400736780 533401840 /nfs/dbraw/zinc/40/18/40/533401840.db2.gz KCQIJEWOSPBMOP-CHWSQXEVSA-N 2 0 234.343 1.653 10 0 BDAERP C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CC[NH2+]C1 ZINC000400582274 533464895 /nfs/dbraw/zinc/46/48/95/533464895.db2.gz RDQVFIFCASXYHK-KOLCDFICSA-N 2 0 210.346 1.836 10 0 BDAERP CCCC[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368374 132338089 /nfs/dbraw/zinc/33/80/89/132338089.db2.gz YUAACURWNXLASX-UHFFFAOYSA-N 2 0 234.347 1.586 10 0 BDAERP CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000051399547 132360649 /nfs/dbraw/zinc/36/06/49/132360649.db2.gz DQHGYUJGUQZVPY-UHFFFAOYSA-N 2 0 248.374 1.333 10 0 BDAERP CC[NH+](CC)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179290695 134319140 /nfs/dbraw/zinc/31/91/40/134319140.db2.gz OPORHNWTCAUFJS-CYBMUJFWSA-N 2 0 225.380 1.108 10 0 BDAERP C[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)[C@@H]1CCOC1 ZINC000222739163 134333894 /nfs/dbraw/zinc/33/38/94/134333894.db2.gz KATGBLLHJQNQQZ-UMSGYPCISA-N 2 0 226.364 1.484 10 0 BDAERP CC(C)OCC[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261538071 135175291 /nfs/dbraw/zinc/17/52/91/135175291.db2.gz XIVQDYAECOXKIM-LLVKDONJSA-N 2 0 214.353 1.471 10 0 BDAERP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000231294118 135590628 /nfs/dbraw/zinc/59/06/28/135590628.db2.gz ZRXLDCMZQYVEOU-XQQFMLRXSA-N 2 0 226.364 1.269 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000386453388 397978482 /nfs/dbraw/zinc/97/84/82/397978482.db2.gz OGFQMCBGIYHZJR-LOWDOPEQSA-N 2 0 226.364 1.410 10 0 BDAERP C[C@@H]([NH3+])CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809206 410893083 /nfs/dbraw/zinc/89/30/83/410893083.db2.gz WAYNNTYYIRGAJX-DGCLKSJQSA-N 2 0 249.358 1.143 10 0 BDAERP CC(C)C[NH2+]C[C@@H](C)CN1CCOC(C)(C)C1 ZINC000052481766 167005519 /nfs/dbraw/zinc/00/55/19/167005519.db2.gz VAXHHVJDRADTNO-CYBMUJFWSA-N 2 0 242.407 1.979 10 0 BDAERP CC(C)[NH2+]C[C@@H](O)C[NH+]1CCCCCC1 ZINC000001847089 167110966 /nfs/dbraw/zinc/11/09/66/167110966.db2.gz FWNWRFZEXUTZTD-GFCCVEGCSA-N 2 0 214.353 1.221 10 0 BDAERP CC(C)[C@@H](C[NH+](C)C)NC[C@H]1CCC[N@H+](C)C1 ZINC000054243589 167395842 /nfs/dbraw/zinc/39/58/42/167395842.db2.gz JEECUTQFMMOFFM-ZIAGYGMSSA-N 2 0 241.423 1.504 10 0 BDAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000656782769 411360524 /nfs/dbraw/zinc/36/05/24/411360524.db2.gz JPNAMBMQTFXTGT-AGIUHOORSA-N 2 0 233.359 1.773 10 0 BDAERP CN(C)[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000062965962 411334223 /nfs/dbraw/zinc/33/42/23/411334223.db2.gz AKOIYMAUESWPIC-CYBMUJFWSA-N 2 0 225.380 1.012 10 0 BDAERP CC1CC[NH+](C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052377056 168182767 /nfs/dbraw/zinc/18/27/67/168182767.db2.gz JZFZCSTVYVAKES-VXGBXAGGSA-N 2 0 212.337 1.225 10 0 BDAERP CCC(C)(C)[NH2+]C[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000053487759 168298664 /nfs/dbraw/zinc/29/86/64/168298664.db2.gz GWDMLNQJMKYABX-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000307274834 411469661 /nfs/dbraw/zinc/46/96/61/411469661.db2.gz OVFNDRAZWCQRKY-UKKRHICBSA-N 2 0 214.378 1.468 10 0 BDAERP CC[NH2+]CC1(C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182182 170110216 /nfs/dbraw/zinc/11/02/16/170110216.db2.gz DZOFWJNSHFLJRV-CYBMUJFWSA-N 2 0 240.391 1.735 10 0 BDAERP CC[NH2+]CC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515485 170116494 /nfs/dbraw/zinc/11/64/94/170116494.db2.gz OSKUBLPEGOMVJD-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP CC[NH2+]C[C@H]1CCN(C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000053031365 170122464 /nfs/dbraw/zinc/12/24/64/170122464.db2.gz LBMDMFAZHLXNME-ZIAGYGMSSA-N 2 0 239.407 1.260 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCCC[C@@H]1CO ZINC000053877173 170151712 /nfs/dbraw/zinc/15/17/12/170151712.db2.gz GZJUWNKFJJDCKU-BFHYXJOUSA-N 2 0 240.391 1.611 10 0 BDAERP CC[NH2+][C@@H]1CCN([C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC000049714253 170152061 /nfs/dbraw/zinc/15/20/61/170152061.db2.gz FOTPOAGFLFXOAC-MELADBBJSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCCOCC1 ZINC000061934632 170166438 /nfs/dbraw/zinc/16/64/38/170166438.db2.gz CLUXPCCXNMIUCY-STQMWFEESA-N 2 0 226.364 1.487 10 0 BDAERP CCOCC[N@H+](CC)C(CC)(CC)C[NH3+] ZINC000050092467 170395183 /nfs/dbraw/zinc/39/51/83/170395183.db2.gz CITUUNFQFZUYNR-UHFFFAOYSA-N 2 0 216.369 1.862 10 0 BDAERP C[N@H+](CCO[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662265477 412057611 /nfs/dbraw/zinc/05/76/11/412057611.db2.gz CADYXFSCVOETNJ-MNOVXSKESA-N 2 0 248.317 1.485 10 0 BDAERP CC[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](CC)C[NH2+]1 ZINC000083367469 171075975 /nfs/dbraw/zinc/07/59/75/171075975.db2.gz LZRUMWRVKOKQJJ-CHWSQXEVSA-N 2 0 239.407 1.543 10 0 BDAERP CC[C@@H]1C[N@H+](CC2(C)CC[NH2+]CC2)CCN1C ZINC000104354337 171076551 /nfs/dbraw/zinc/07/65/51/171076551.db2.gz JQDMTYOGGIQGBS-CYBMUJFWSA-N 2 0 239.407 1.402 10 0 BDAERP CC[C@@](C)(C[NH2+]C1CC1)CN1CC[NH+](C)CC1 ZINC000051209288 171166822 /nfs/dbraw/zinc/16/68/22/171166822.db2.gz JXFDTANJQVOTRH-AWEZNQCLSA-N 2 0 239.407 1.402 10 0 BDAERP CC[C@@]1(C[NH2+]CC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062862894 171210989 /nfs/dbraw/zinc/21/09/89/171210989.db2.gz ZMWWEUIPXGMLMS-UONOGXRCSA-N 2 0 240.391 1.925 10 0 BDAERP CC[C@H](C)C[N@@H+]1CCC[C@H](C[NH2+]CCOC)C1 ZINC000053658793 171281079 /nfs/dbraw/zinc/28/10/79/171281079.db2.gz XSPILYUAKKEUHF-UONOGXRCSA-N 2 0 242.407 1.981 10 0 BDAERP CC[C@H](C)[N@H+](CCOC)Cc1ccoc1C[NH3+] ZINC000052547318 171314910 /nfs/dbraw/zinc/31/49/10/171314910.db2.gz PMGURIKHLMLZFH-NSHDSACASA-N 2 0 240.347 1.985 10 0 BDAERP CC[C@H](C)[NH2+]C[C@@H](C)N1CC[N@H+](CC)[C@H](C)C1 ZINC000104136221 171341301 /nfs/dbraw/zinc/34/13/01/171341301.db2.gz GUHZONHIUUYLHR-BFHYXJOUSA-N 2 0 241.423 1.789 10 0 BDAERP C[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1CC[NH2+]C1 ZINC000665261642 412203356 /nfs/dbraw/zinc/20/33/56/412203356.db2.gz IQLJVCJRLGYJAF-NXEZZACHSA-N 2 0 202.317 1.712 10 0 BDAERP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CC1(F)F ZINC000665264598 412208024 /nfs/dbraw/zinc/20/80/24/412208024.db2.gz DHAKBXBUORVYEC-SECBINFHSA-N 2 0 204.264 1.373 10 0 BDAERP CO[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000665276160 412219957 /nfs/dbraw/zinc/21/99/57/412219957.db2.gz ZKMWSFYBJDILEC-UONOGXRCSA-N 2 0 240.391 1.923 10 0 BDAERP CCc1nccn1Cc1ccc(NC)nc1 ZINC000050830079 172028443 /nfs/dbraw/zinc/02/84/43/172028443.db2.gz NMVCPGBDBAECSW-UHFFFAOYSA-N 2 0 216.288 1.931 10 0 BDAERP CCn1cc[nH+]c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000050614252 172227428 /nfs/dbraw/zinc/22/74/28/172227428.db2.gz AMYVEECCZZLRAG-VXGBXAGGSA-N 2 0 234.347 1.942 10 0 BDAERP CCn1cc[nH+]c1NCc1ccccc1C[NH3+] ZINC000061841502 172228323 /nfs/dbraw/zinc/22/83/23/172228323.db2.gz QFCZXCKIIWCUTH-UHFFFAOYSA-N 2 0 230.315 1.974 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CN1CCC[NH2+]CCC1 ZINC000044564243 173008101 /nfs/dbraw/zinc/00/81/01/173008101.db2.gz LMYVQQRHCLJFGD-ZDUSSCGKSA-N 2 0 225.380 1.156 10 0 BDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CCCO ZINC000305660230 173027021 /nfs/dbraw/zinc/02/70/21/173027021.db2.gz XTJQPJFJUIRLEF-KGLIPLIRSA-N 2 0 240.391 1.708 10 0 BDAERP CN(C)c1cc[nH+]cc1NC[C@H]1CCC[N@H+](C)C1 ZINC000054240946 173041181 /nfs/dbraw/zinc/04/11/81/173041181.db2.gz RCSZHTLNPOFPTQ-GFCCVEGCSA-N 2 0 248.374 1.901 10 0 BDAERP C[N@@H+]1CCC[C@H](C[NH2+]C2(CO)CCCC2)C1 ZINC000054243955 173042806 /nfs/dbraw/zinc/04/28/06/173042806.db2.gz QJNMKUBKTKCHRB-GFCCVEGCSA-N 2 0 226.364 1.223 10 0 BDAERP CN1CCC[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000053245397 173043306 /nfs/dbraw/zinc/04/33/06/173043306.db2.gz GZDGCZABBKXUMN-ZDUSSCGKSA-N 2 0 225.380 1.012 10 0 BDAERP CN([C@H]1CCC[N@H+](C)C1)C1(C[NH3+])CCCC1 ZINC000053206365 173043808 /nfs/dbraw/zinc/04/38/08/173043808.db2.gz QPTRDPKPSPBRLL-LBPRGKRZSA-N 2 0 225.380 1.284 10 0 BDAERP C[N@@H+]1CCC[C@H](Nc2cc(N)cc[nH+]2)C1 ZINC000043569041 173046572 /nfs/dbraw/zinc/04/65/72/173046572.db2.gz KQRBLWCIABTRDB-JTQLQIEISA-N 2 0 206.293 1.170 10 0 BDAERP C[NH+]1CCC[C@H]1CC(=O)C[C@H]1CCC[N@H+]1C ZINC000000968237 173051286 /nfs/dbraw/zinc/05/12/86/173051286.db2.gz ZEBIACKKLGVLFZ-TXEJJXNPSA-N 2 0 224.348 1.524 10 0 endogenous,in-man BDAERP CN1CC[N@H+](CCCC[NH2+]C2CC2)CC1(C)C ZINC000104131404 173079777 /nfs/dbraw/zinc/07/97/77/173079777.db2.gz JVVFQUNEAHDKQL-UHFFFAOYSA-N 2 0 239.407 1.545 10 0 BDAERP CN1CC[NH+](C[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000053861669 173085607 /nfs/dbraw/zinc/08/56/07/173085607.db2.gz ULIGJCBISDVBBF-QWHCGFSZSA-N 2 0 225.380 1.141 10 0 BDAERP C[NH+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022311 173092149 /nfs/dbraw/zinc/09/21/49/173092149.db2.gz XAWKIVGUWUDEJV-ZDUSSCGKSA-N 2 0 246.358 1.301 10 0 BDAERP C[N@@H+]1CC[C@@H](CNC[C@@H]2CCCC[NH+]2C)C1 ZINC000054242803 173114647 /nfs/dbraw/zinc/11/46/47/173114647.db2.gz ZFRNHSWXLFXSFQ-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484657 173117511 /nfs/dbraw/zinc/11/75/11/173117511.db2.gz XMHYPQQLDKYWSH-JTQLQIEISA-N 2 0 210.346 1.789 10 0 BDAERP C[N@@H+]1CC[C@@H](NCC[C@@H]2CCCC[NH+]2C)C1 ZINC000052205875 173123038 /nfs/dbraw/zinc/12/30/38/173123038.db2.gz GBUSRENRHXZMSQ-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP C[N@@H+]1C[C@H]2C[NH2+]C[C@@H]2[C@@H]1c1ccccc1 ZINC000071373449 173200466 /nfs/dbraw/zinc/20/04/66/173200466.db2.gz LEIAGDQCKRSLTQ-AGIUHOORSA-N 2 0 202.301 1.509 10 0 BDAERP Cn1ccnc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000051923942 173206947 /nfs/dbraw/zinc/20/69/47/173206947.db2.gz PYELOVUXXWOBEB-YHWZYXNKSA-N 2 0 248.374 1.383 10 0 BDAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054629072 173324317 /nfs/dbraw/zinc/32/43/17/173324317.db2.gz RGCMSPFTRQCBMV-CHEQUFIKSA-N 2 0 249.402 1.438 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182205 173337325 /nfs/dbraw/zinc/33/73/25/173337325.db2.gz FVUWHMIHOPMHJL-GFCCVEGCSA-N 2 0 226.364 1.344 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180464 173337508 /nfs/dbraw/zinc/33/75/08/173337508.db2.gz XCCBMCOCWKGERK-LBPRGKRZSA-N 2 0 226.364 1.487 10 0 BDAERP C[NH2+]CCCC(=O)Nc1ccccc1C[NH+](C)C ZINC000037610790 173345255 /nfs/dbraw/zinc/34/52/55/173345255.db2.gz WONOBQURUJYKOQ-UHFFFAOYSA-N 2 0 249.358 1.686 10 0 BDAERP C[NH2+]CCOCCc1ccc2[nH]c(C)nc2c1 ZINC000077366798 173357068 /nfs/dbraw/zinc/35/70/68/173357068.db2.gz IRNOFBVOBXWVLR-UHFFFAOYSA-N 2 0 233.315 1.650 10 0 BDAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382032 173371008 /nfs/dbraw/zinc/37/10/08/173371008.db2.gz WULNUVZJAQTXLN-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP C[NH2+]C[C@@]1(C[NH+]2CCC(C)CC2)CCOC1 ZINC000051207914 173373006 /nfs/dbraw/zinc/37/30/06/173373006.db2.gz VEGLXKQUDZPAQR-CYBMUJFWSA-N 2 0 226.364 1.344 10 0 BDAERP C[NH2+]C[C@@]1(C[N@H+](C)C2CCCCC2)CCOC1 ZINC000051213210 173373242 /nfs/dbraw/zinc/37/32/42/173373242.db2.gz UNUSWYBGSQDWEW-CQSZACIVSA-N 2 0 240.391 1.877 10 0 BDAERP C[NH2+]Cc1cc(C[NH+]2CCCCCC2)on1 ZINC000016943518 173387297 /nfs/dbraw/zinc/38/72/97/173387297.db2.gz NGPHCFQQLCFRCY-UHFFFAOYSA-N 2 0 223.320 1.770 10 0 BDAERP C[NH2+]Cc1ccoc1CN1CC[N@H+](C)[C@H](C)C1 ZINC000104132394 173391278 /nfs/dbraw/zinc/39/12/78/173391278.db2.gz ZFXKGYINNOBASY-LLVKDONJSA-N 2 0 237.347 1.135 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453157 173391677 /nfs/dbraw/zinc/39/16/77/173391677.db2.gz XKNXONNCCXQLDF-NSHDSACASA-N 2 0 240.372 1.936 10 0 BDAERP C[NH2+]Cc1coc(C[N@@H+]2CCCSCC2)c1 ZINC000052371104 173393482 /nfs/dbraw/zinc/39/34/82/173393482.db2.gz VCQUISSPJSZJNR-UHFFFAOYSA-N 2 0 240.372 1.938 10 0 BDAERP COCCC[N@@H+]1CCC[NH2+][C@H](C)CC1 ZINC000049665795 174229132 /nfs/dbraw/zinc/22/91/32/174229132.db2.gz IFFBBJFVFTZXDA-LLVKDONJSA-N 2 0 200.326 1.097 10 0 BDAERP COCC[N@H+](Cc1ccccc1C[NH3+])C1CC1 ZINC000042517589 174300017 /nfs/dbraw/zinc/30/00/17/174300017.db2.gz XGMSEYQNJDABEK-UHFFFAOYSA-N 2 0 234.343 1.756 10 0 BDAERP COCC[NH2+]CCCC[N@H+](C)C[C@H]1CCCO1 ZINC000053499647 174332552 /nfs/dbraw/zinc/33/25/52/174332552.db2.gz ZGNZKENMJRCOTR-CYBMUJFWSA-N 2 0 244.379 1.113 10 0 BDAERP COc1ccc(C[NH+](C)C)cc1C[C@@H](C)[NH3+] ZINC000044462990 175094639 /nfs/dbraw/zinc/09/46/39/175094639.db2.gz NEZRDFZJIWGYJB-SNVBAGLBSA-N 2 0 222.332 1.647 10 0 BDAERP COc1cccc(C[C@@H]2C[N@H+](C)CC[C@@H]2[NH3+])c1 ZINC000022130090 175271915 /nfs/dbraw/zinc/27/19/15/175271915.db2.gz BBMMDMHFHHAQRZ-OCCSQVGLSA-N 2 0 234.343 1.517 10 0 BDAERP COc1ccccc1C[C@@](C)(C[NH3+])C[NH+](C)C ZINC000011800566 175332579 /nfs/dbraw/zinc/33/25/79/175332579.db2.gz IPPBWMPGJQMKHK-AWEZNQCLSA-N 2 0 236.359 1.764 10 0 BDAERP COc1ccccc1C[C@](C)(C[NH3+])C[NH+](C)C ZINC000011800568 175333622 /nfs/dbraw/zinc/33/36/22/175333622.db2.gz IPPBWMPGJQMKHK-CQSZACIVSA-N 2 0 236.359 1.764 10 0 BDAERP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C(C)C ZINC000233899121 487632419 /nfs/dbraw/zinc/63/24/19/487632419.db2.gz BVVBFNGUWQXGQT-VXGBXAGGSA-N 2 0 216.369 1.765 10 0 BDAERP C[C@@H](c1nccs1)N1CC[C@@H](C[NH3+])C1 ZINC000100256757 176039681 /nfs/dbraw/zinc/03/96/81/176039681.db2.gz AXCMZDZIGLGXPP-IUCAKERBSA-N 2 0 211.334 1.485 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])o2)C1 ZINC000052381297 176100773 /nfs/dbraw/zinc/10/07/73/176100773.db2.gz FCDYJTPOSZFOEK-SNVBAGLBSA-N 2 0 208.305 1.970 10 0 BDAERP C[C@@H]1SC2(C[C@@H]1[NH3+])CC[NH+](C)CC2 ZINC000082382429 176488013 /nfs/dbraw/zinc/48/80/13/176488013.db2.gz LQFIBMFRXDADPN-IUCAKERBSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H]([NH3+])c1cc(F)ccc1N(C)CC[NH+](C)C ZINC000104189904 176774245 /nfs/dbraw/zinc/77/42/45/176774245.db2.gz WCGNCAAYFLMSSD-JTQLQIEISA-N 2 0 239.338 1.843 10 0 BDAERP C[C@@H]1CCN(CCC[NH+](C)C)CC[C@H](C)[NH2+]1 ZINC000049666101 177159891 /nfs/dbraw/zinc/15/98/91/177159891.db2.gz JQQDRCHFENLOQP-BETUJISGSA-N 2 0 227.396 1.401 10 0 BDAERP C[C@H]1CC[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000044390349 177161597 /nfs/dbraw/zinc/16/15/97/177161597.db2.gz UZSFNKMCGHFZOH-ZDUSSCGKSA-N 2 0 233.359 1.698 10 0 BDAERP C[C@@H](CC[NH+](C)C)N1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049667814 177170707 /nfs/dbraw/zinc/17/07/07/177170707.db2.gz YVWOYNALESRIQK-RDBSUJKOSA-N 2 0 241.423 1.647 10 0 BDAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CC1CCOCC1 ZINC000052173160 177200504 /nfs/dbraw/zinc/20/05/04/177200504.db2.gz FOCBECLADCKFDF-WCQYABFASA-N 2 0 226.364 1.472 10 0 BDAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccccn1 ZINC000042427381 177200729 /nfs/dbraw/zinc/20/07/29/177200729.db2.gz TYSYXCHVNLVYRH-NWDGAFQWSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccncc1 ZINC000042427323 177201003 /nfs/dbraw/zinc/20/10/03/177201003.db2.gz DHPMVNHQRDZMKX-WCQYABFASA-N 2 0 219.332 1.641 10 0 BDAERP C[C@H]1CN(CCC[NH+](C)C)c2ccccc2C[NH2+]1 ZINC000062622867 177248949 /nfs/dbraw/zinc/24/89/49/177248949.db2.gz HZCYNLRXQJODRV-ZDUSSCGKSA-N 2 0 247.386 1.936 10 0 BDAERP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000035782864 177261946 /nfs/dbraw/zinc/26/19/46/177261946.db2.gz WUAUNZNPPACHTA-NEPJUHHUSA-N 2 0 234.343 1.755 10 0 BDAERP C[C@H]1C[NH2+]CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000049662871 177281314 /nfs/dbraw/zinc/28/13/14/177281314.db2.gz BGRDTBHFVXRNGV-RYUDHWBXSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@H]1C[NH2+]CCC[N@H+](CCc2ccco2)C1 ZINC000049667386 177281842 /nfs/dbraw/zinc/28/18/42/177281842.db2.gz USYHIMCKIABXLF-LBPRGKRZSA-N 2 0 222.332 1.754 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](Cc2ccco2)C1 ZINC000049664348 177285458 /nfs/dbraw/zinc/28/54/58/177285458.db2.gz LZIQHCKODULJAN-RYUDHWBXSA-N 2 0 222.332 1.957 10 0 BDAERP C[C@H]1C[NH2+]C[C@@H]1CN1CC[NH+](C(C)(C)C)CC1 ZINC000104214926 177285665 /nfs/dbraw/zinc/28/56/65/177285665.db2.gz SNMGLSODZBPWBL-QWHCGFSZSA-N 2 0 239.407 1.258 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CCc2cccnc2)C1 ZINC000049666870 177285754 /nfs/dbraw/zinc/28/57/54/177285754.db2.gz FQRSGEUEXURTQU-OKILXGFUSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)CN(CCC[NH+](C)C)C1 ZINC000049666112 177285843 /nfs/dbraw/zinc/28/58/43/177285843.db2.gz TZAAJXWAVDMJRU-BETUJISGSA-N 2 0 227.396 1.116 10 0 BDAERP C[C@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051919008 177292278 /nfs/dbraw/zinc/29/22/78/177292278.db2.gz DGLNBRMGYRDOSQ-RYUDHWBXSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@@H](C[NH+]1CCCC1)NC1=[NH+][C@@H](C)CS1 ZINC000049185290 177303527 /nfs/dbraw/zinc/30/35/27/177303527.db2.gz XAMYDABBUAODAS-UWVGGRQHSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@H]1C[C@H](C)C[NH+](CCOC2CC[NH2+]CC2)C1 ZINC000104386810 177358604 /nfs/dbraw/zinc/35/86/04/177358604.db2.gz JHIKVTOEOWDNHD-STQMWFEESA-N 2 0 240.391 1.733 10 0 BDAERP COCc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400327153 226340808 /nfs/dbraw/zinc/34/08/08/226340808.db2.gz CPCQSWYBBHNVIY-STQMWFEESA-N 2 0 248.370 1.921 10 0 BDAERP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CC[NH2+]C1 ZINC000400393496 226342752 /nfs/dbraw/zinc/34/27/52/226342752.db2.gz JLGMDVFPDYOFMB-MNOVXSKESA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400560230 226346213 /nfs/dbraw/zinc/34/62/13/226346213.db2.gz HOZHGRVIBKGHKH-TUAOUCFPSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@@H]([NH3+])CNc1cc[nH+]c2ccccc12 ZINC000082575423 487677478 /nfs/dbraw/zinc/67/74/78/487677478.db2.gz LUFJFBWSYDVVGH-SECBINFHSA-N 2 0 201.273 1.994 10 0 BDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136447273 487735975 /nfs/dbraw/zinc/73/59/75/487735975.db2.gz GJKHSKIAXZTDSI-VXGBXAGGSA-N 2 0 243.395 1.206 10 0 BDAERP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000562956990 323035064 /nfs/dbraw/zinc/03/50/64/323035064.db2.gz DQTPEZOMEBKYMZ-WCFLWFBJSA-N 2 0 226.364 1.389 10 0 BDAERP COCC(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562957098 323035108 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ZINC000723793474 710731647 /nfs/dbraw/zinc/73/16/47/710731647.db2.gz RKQDHWRBDZWSBA-NEPJUHHUSA-N 2 0 241.338 1.924 10 0 BDAERP C[N@H+](C[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000051253023 711636800 /nfs/dbraw/zinc/63/68/00/711636800.db2.gz YOCKBBWSSMATTH-JTQLQIEISA-N 2 0 200.326 1.082 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257650262 711723378 /nfs/dbraw/zinc/72/33/78/711723378.db2.gz DBDUZJNHHDIYFS-QWHCGFSZSA-N 2 0 224.348 1.241 10 0 BDAERP C[C@H]1C[N@H+](CCSC(F)(F)F)C[C@H]1C[NH3+] ZINC000708862196 712201044 /nfs/dbraw/zinc/20/10/44/712201044.db2.gz NLCMCBPIMONZPK-JGVFFNPUSA-N 2 0 242.310 1.766 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708851914 712201187 /nfs/dbraw/zinc/20/11/87/712201187.db2.gz FNTZBVDBVXLVLR-WOPDTQHZSA-N 2 0 226.364 1.328 10 0 BDAERP O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000709854872 712230178 /nfs/dbraw/zinc/23/01/78/712230178.db2.gz QFCNBJQOOYRHPL-RDBSUJKOSA-N 2 0 238.375 1.221 10 0 BDAERP COCC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000713953734 712474518 /nfs/dbraw/zinc/47/45/18/712474518.db2.gz RWACTOFEIOCEDQ-YIOUJQMASA-N 2 0 238.375 1.628 10 0 BDAERP COCC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000713953729 712474714 /nfs/dbraw/zinc/47/47/14/712474714.db2.gz RWACTOFEIOCEDQ-FKZOYECMSA-N 2 0 238.375 1.628 10 0 BDAERP CCC1([NH3+])CCN([C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000714752940 712497177 /nfs/dbraw/zinc/49/71/77/712497177.db2.gz FUOFCJYZTJIJRZ-CHWSQXEVSA-N 2 0 239.407 1.672 10 0 BDAERP CCC1([NH3+])CCN([C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000714752942 712497196 /nfs/dbraw/zinc/49/71/96/712497196.db2.gz FUOFCJYZTJIJRZ-QWHCGFSZSA-N 2 0 239.407 1.672 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H]2CCO[C@H](C)C2)CC1 ZINC000714753185 712497342 /nfs/dbraw/zinc/49/73/42/712497342.db2.gz IBAHQBGDEYFOGP-NEPJUHHUSA-N 2 0 226.364 1.757 10 0 BDAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000716665303 712569109 /nfs/dbraw/zinc/56/91/09/712569109.db2.gz HCTPTLJRATWRSL-RSLMWUCJSA-N 2 0 208.349 1.620 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]C1 ZINC000717627770 712662108 /nfs/dbraw/zinc/66/21/08/712662108.db2.gz VOQYHJXSPGKDSN-AVGNSLFASA-N 2 0 240.391 1.779 10 0 BDAERP C[C@H]1C[N@H+](CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718608711 712772889 /nfs/dbraw/zinc/77/28/89/712772889.db2.gz PWFRBWCFHIJPEH-VHSXEESVSA-N 2 0 220.307 1.948 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918027 712786857 /nfs/dbraw/zinc/78/68/57/712786857.db2.gz WKONPCWSXLHUSO-RDBSUJKOSA-N 2 0 238.375 1.629 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]12 ZINC000719833993 712824067 /nfs/dbraw/zinc/82/40/67/712824067.db2.gz UPPTZLDTZFQZHU-YUSALJHKSA-N 2 0 237.372 1.355 10 0 BDAERP Cc1cc(C[N@H+]2CC[C@H](C)C2)oc1C[NH3+] ZINC000052484518 178002326 /nfs/dbraw/zinc/00/23/26/178002326.db2.gz MSBPVSZOTSSOSX-VIFPVBQESA-N 2 0 208.305 1.889 10 0 BDAERP C[C@@H]([NH3+])[C@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307515455 398174049 /nfs/dbraw/zinc/17/40/49/398174049.db2.gz MTMIRPQAXSJKSL-BBBLOLIVSA-N 2 0 202.367 1.550 10 0 BDAERP [NH3+]CCN1CCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616615375 398174224 /nfs/dbraw/zinc/17/42/24/398174224.db2.gz XHNRVTIVFVLGSI-OAHLLOKOSA-N 2 0 248.370 1.707 10 0 BDAERP C(COCC1CCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000313282161 398185065 /nfs/dbraw/zinc/18/50/65/398185065.db2.gz MPXLVNGHCALOPB-AWEZNQCLSA-N 2 0 240.391 1.925 10 0 BDAERP C[C@H]1CCSCC[N@@H+]1CC1C[NH2+]C1 ZINC000306643036 361775902 /nfs/dbraw/zinc/77/59/02/361775902.db2.gz VOPHJHJPYFBIOO-VIFPVBQESA-N 2 0 200.351 1.033 10 0 BDAERP Cc1cc2[nH+]c(N)n(CC[NH+](C)C)c2cc1C ZINC000075415134 178302314 /nfs/dbraw/zinc/30/23/14/178302314.db2.gz GFPSNVIJVQTOSG-UHFFFAOYSA-N 2 0 232.331 1.797 10 0 BDAERP C[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000038096066 538965407 /nfs/dbraw/zinc/96/54/07/538965407.db2.gz SGRNFKFOTQFZAA-OCCSQVGLSA-N 2 0 240.391 1.875 10 0 BDAERP CCC(CC)[C@@H](C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000036191510 168399343 /nfs/dbraw/zinc/39/93/43/168399343.db2.gz SWZFGFBBOCSBNG-CQSZACIVSA-N 2 0 241.423 1.776 10 0 BDAERP [NH3+]C/C=C1\CC[N@H+](Cc2ccccc2)C1 ZINC000214924367 342919730 /nfs/dbraw/zinc/91/97/30/342919730.db2.gz APDCWTQURUEFOP-AWNIVKPZSA-N 2 0 202.301 1.777 10 0 BDAERP CC1(C)COC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000313015181 343732280 /nfs/dbraw/zinc/73/22/80/343732280.db2.gz FHUXZWYBJABPIE-WDEREUQCSA-N 2 0 212.337 1.143 10 0 BDAERP [NH3+]CCC[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000409433108 343826639 /nfs/dbraw/zinc/82/66/39/343826639.db2.gz XJCCDWVBOGRTHB-BDAKNGLRSA-N 2 0 204.264 1.312 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@@H](CO)[C@@H](c2ccccc2)C1 ZINC000409435973 343836891 /nfs/dbraw/zinc/83/68/91/343836891.db2.gz XMZWHHLUMFVWQA-UONOGXRCSA-N 2 0 234.343 1.043 10 0 BDAERP C[C@@H](CC[NH3+])[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908131 343944695 /nfs/dbraw/zinc/94/46/95/343944695.db2.gz BIFJZLQQNHZCBM-LPEHRKFASA-N 2 0 202.367 1.550 10 0 BDAERP C[C@@H]1C[C@@H](N)C[N@H+](C[Si](C)(C)C)C1 ZINC000401868953 343917374 /nfs/dbraw/zinc/91/73/74/343917374.db2.gz VBSWPIJILSGIHJ-NXEZZACHSA-N 2 0 200.402 1.533 10 0 BDAERP CCSCC[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000133778050 344322140 /nfs/dbraw/zinc/32/21/40/344322140.db2.gz JUCVGJOAOVGXER-JTQLQIEISA-N 2 0 216.394 1.860 10 0 BDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400351855 344517011 /nfs/dbraw/zinc/51/70/11/344517011.db2.gz MYHJHCMZAIGNAA-JSGCOSHPSA-N 3 0 239.407 1.306 10 0 BDAERP CC1=CCN(C[C@@H]2CSCC[NH2+]2)CC1 ZINC000166160141 344750212 /nfs/dbraw/zinc/75/02/12/344750212.db2.gz WTMKCCDTUPFCBI-LLVKDONJSA-N 2 0 212.362 1.343 10 0 BDAERP [NH3+]C[C@H]1CCCC2(CC[NH+](C3CC3)CC2)O1 ZINC000675073424 537877209 /nfs/dbraw/zinc/87/72/09/537877209.db2.gz WWYCAIXQMGTARF-GFCCVEGCSA-N 2 0 224.348 1.511 10 0 BDAERP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000570953498 323082822 /nfs/dbraw/zinc/08/28/22/323082822.db2.gz GIUWDHJQPQNUQB-JHJVBQTASA-N 2 0 228.380 1.635 10 0 BDAERP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000634998652 345198370 /nfs/dbraw/zinc/19/83/70/345198370.db2.gz JDFAICYFLKSVOO-NWDGAFQWSA-N 2 0 208.349 1.908 10 0 BDAERP [NH3+]C1CC[NH+](CC2CCSCC2)CC1 ZINC000229284466 345481087 /nfs/dbraw/zinc/48/10/87/345481087.db2.gz CYBBZQVLLSMRGA-UHFFFAOYSA-N 2 0 214.378 1.553 10 0 BDAERP CC(C)[N@H+](C)CCCN[C@H]1CCC[NH2+]CC1 ZINC000226330555 535004921 /nfs/dbraw/zinc/00/49/21/535004921.db2.gz DBJPHMMXLPPTCM-ZDUSSCGKSA-N 2 0 227.396 1.448 10 0 BDAERP C[C@@H](c1ccc[nH]1)N1CCCC[C@H]1C[NH3+] ZINC000253612732 345692796 /nfs/dbraw/zinc/69/27/96/345692796.db2.gz IQQMOMUKMGXIKN-QWRGUYRKSA-N 2 0 207.321 1.889 10 0 BDAERP C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000149283032 345716082 /nfs/dbraw/zinc/71/60/82/345716082.db2.gz VXKGLACRLFQFOI-YPMHNXCESA-N 2 0 204.317 1.774 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000257352190 345773839 /nfs/dbraw/zinc/77/38/39/345773839.db2.gz JREKBTAHPHKVRN-KYZUINATSA-N 2 0 240.738 1.490 10 0 BDAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1cnccn1 ZINC000257352652 345774149 /nfs/dbraw/zinc/77/41/49/345774149.db2.gz MMEXWKAMBZHGLP-DCAQKATOSA-N 2 0 220.320 1.397 10 0 BDAERP CNc1cc(N2CCCC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000258608340 345785346 /nfs/dbraw/zinc/78/53/46/345785346.db2.gz BULJMIFYDHWSGD-SNVBAGLBSA-N 2 0 235.335 1.144 10 0 BDAERP Cc1cccc(C2(C[NH3+])CC[NH2+]CC2)c1 ZINC000071509154 179051010 /nfs/dbraw/zinc/05/10/10/179051010.db2.gz UTKCMPAVPLBMTE-UHFFFAOYSA-N 2 0 204.317 1.575 10 0 BDAERP COC[C@@H](C)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000300232875 346420623 /nfs/dbraw/zinc/42/06/23/346420623.db2.gz IPGWCSUFAGNMFG-RYUDHWBXSA-N 2 0 214.353 1.343 10 0 BDAERP COCCC[NH2+][C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241368 537978997 /nfs/dbraw/zinc/97/89/97/537978997.db2.gz DXJJSZAFPLDZGD-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP Nc1cnccc1[C@@H]1CCC2(CC[NH2+]CC2)C[NH2+]1 ZINC000585681316 346653747 /nfs/dbraw/zinc/65/37/47/346653747.db2.gz AXCPOGHWWDCOJE-ZDUSSCGKSA-N 2 0 246.358 1.458 10 0 BDAERP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)C2)C1 ZINC000250753416 362817995 /nfs/dbraw/zinc/81/79/95/362817995.db2.gz PLYGCIDNRQOYQJ-QWRGUYRKSA-N 2 0 210.321 1.039 10 0 BDAERP C[C@H](CN[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000390644073 259396490 /nfs/dbraw/zinc/39/64/90/259396490.db2.gz LSBYSHRGHQETBZ-UKRRQHHQSA-N 2 0 247.386 1.458 10 0 BDAERP C[C@H]([NH2+]CCc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000577267875 365908541 /nfs/dbraw/zinc/90/85/41/365908541.db2.gz PDKAGVVSBVSGFF-STQMWFEESA-N 2 0 233.359 1.602 10 0 BDAERP CSCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000591567837 347670594 /nfs/dbraw/zinc/67/05/94/347670594.db2.gz VWWHJLHAHHMCDG-UWVGGRQHSA-N 2 0 202.367 1.327 10 0 BDAERP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669538 323177230 /nfs/dbraw/zinc/17/72/30/323177230.db2.gz VUZYGIJQSVIYCB-IHRRRGAJSA-N 2 0 239.407 1.306 10 0 BDAERP C[NH2+][C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616590662 350014205 /nfs/dbraw/zinc/01/42/05/350014205.db2.gz PFUWUKFGZVZHDJ-NSHDSACASA-N 2 0 205.305 1.116 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+]CCCCn1ccnc1 ZINC000302371367 350083723 /nfs/dbraw/zinc/08/37/23/350083723.db2.gz KWXPAOSNFLZDMK-GFCCVEGCSA-N 2 0 239.363 1.660 10 0 BDAERP CCC[NH2+]Cc1cnc2c(cnn2C2C[NH2+]C2)c1 ZINC000725259226 538079439 /nfs/dbraw/zinc/07/94/39/538079439.db2.gz QGMIBTBMVMDOKQ-UHFFFAOYSA-N 2 0 245.330 1.075 10 0 BDAERP C[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]([NH3+])C23CCOCC3)C1 ZINC000725264058 538091002 /nfs/dbraw/zinc/09/10/02/538091002.db2.gz BDCJBKHYIISULX-UPJWGTAASA-N 2 0 238.375 1.615 10 0 BDAERP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000163263848 350513220 /nfs/dbraw/zinc/51/32/20/350513220.db2.gz KHDXVRSNFQJWHY-AWEZNQCLSA-N 2 0 238.375 1.585 10 0 BDAERP Cc1nn(CC[NH+](C)C)c(C)c1C[NH2+]C(C)C ZINC000036868772 180387537 /nfs/dbraw/zinc/38/75/37/180387537.db2.gz ZOSMIMDJJPKBOW-UHFFFAOYSA-N 2 0 238.379 1.560 10 0 BDAERP [NH3+]CCN1CC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616611506 350809247 /nfs/dbraw/zinc/80/92/47/350809247.db2.gz FWLCAKNROPUSMT-CQSZACIVSA-N 2 0 241.338 1.983 10 0 BDAERP [NH3+]CCN1CC[C@H](c2cccc3ncccc32)C1 ZINC000616611578 350809269 /nfs/dbraw/zinc/80/92/69/350809269.db2.gz GKZNYUAGSVQKDK-LBPRGKRZSA-N 2 0 241.338 1.983 10 0 BDAERP C[C@H](CC[NH3+])[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251801349 350903656 /nfs/dbraw/zinc/90/36/56/350903656.db2.gz XZGDLAJHUMXDCP-ZJUUUORDSA-N 2 0 200.326 1.223 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000306739226 350911845 /nfs/dbraw/zinc/91/18/45/350911845.db2.gz SCCXYLGBXYTWMA-QMMMGPOBSA-N 2 0 204.195 1.453 10 0 BDAERP [NH3+]CCN1CCCC[C@H](c2ccon2)C1 ZINC000616630007 351101535 /nfs/dbraw/zinc/10/15/35/351101535.db2.gz XVAJYLNVWABZNG-JTQLQIEISA-N 2 0 209.293 1.203 10 0 BDAERP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664105 351215817 /nfs/dbraw/zinc/21/58/17/351215817.db2.gz NXATYESHYGASAD-ZDUSSCGKSA-N 2 0 220.316 1.236 10 0 BDAERP C[C@H]([C@H](C)[NH3+])N1C[C@@H](C)S[C@@H](C)C1 ZINC000306972401 351394999 /nfs/dbraw/zinc/39/49/99/351394999.db2.gz VTZCRZLTVOZISO-QCLAVDOMSA-N 2 0 202.367 1.548 10 0 BDAERP CS[C@@H]1CCC[N@@H+](C2CC([NH3+])C2)C1 ZINC000307352147 352259149 /nfs/dbraw/zinc/25/91/49/352259149.db2.gz BSEJFKSVHPVXFL-UDNWOFFPSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H]1CC[N@@H+](C2CSC2)C[C@@H]1C[NH3+] ZINC000307552757 352648034 /nfs/dbraw/zinc/64/80/34/352648034.db2.gz CVLRKPDVOFCODL-IUCAKERBSA-N 2 0 200.351 1.019 10 0 BDAERP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CCN(CC[NH3+])CC1 ZINC000725273882 538105067 /nfs/dbraw/zinc/10/50/67/538105067.db2.gz PUFBTIVFNBPWMY-QWHCGFSZSA-N 2 0 239.407 1.530 10 0 BDAERP CCC[N@H+](CC)C1CCN(CC[NH3+])CC1 ZINC000725273901 538104963 /nfs/dbraw/zinc/10/49/63/538104963.db2.gz ROVRZAURGVEQPX-UHFFFAOYSA-N 2 0 213.369 1.141 10 0 BDAERP C[N@H+](CCC1C[NH2+]C1)Cc1ccccc1 ZINC000129448959 353128691 /nfs/dbraw/zinc/12/86/91/353128691.db2.gz JLSFZQDJTWGPCO-UHFFFAOYSA-N 2 0 204.317 1.728 10 0 BDAERP CC(C)(C)[C@H](C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000042489823 188293712 /nfs/dbraw/zinc/29/37/12/188293712.db2.gz TUGNRAQQMNEHMA-LBPRGKRZSA-N 2 0 225.380 1.140 10 0 BDAERP C[N@@H+]1CCC[C@@H](CN2CCC[NH2+]CCC2)C1 ZINC000044538729 188296261 /nfs/dbraw/zinc/29/62/61/188296261.db2.gz JRXOSPUZOPCVAM-CYBMUJFWSA-N 2 0 225.380 1.014 10 0 BDAERP CN([C@H](C[NH3+])C(C)(C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000053205482 188300867 /nfs/dbraw/zinc/30/08/67/188300867.db2.gz LHDQTZFXXXWALW-VXGBXAGGSA-N 2 0 227.396 1.386 10 0 BDAERP CN(CC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000053247499 188300897 /nfs/dbraw/zinc/30/08/97/188300897.db2.gz JFFBTIYMEFGAPY-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CC(C)(C[NH3+])CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062970630 188303920 /nfs/dbraw/zinc/30/39/20/188303920.db2.gz ICLCKMDOTJMIIT-CYBMUJFWSA-N 2 0 239.407 1.532 10 0 BDAERP CC(C)[C@@](C)(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940271 188304207 /nfs/dbraw/zinc/30/42/07/188304207.db2.gz WRVGCMNXQVSSLZ-ZIAGYGMSSA-N 2 0 239.407 1.530 10 0 BDAERP CC(C)[C@H](C)[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192221 188305510 /nfs/dbraw/zinc/30/55/10/188305510.db2.gz GZMOYDWEEOTTNJ-UONOGXRCSA-N 2 0 241.423 1.504 10 0 BDAERP CC(C)[N@@H+]1CC[C@H](CNCCC[NH+](C)C)C1 ZINC000076519191 188309586 /nfs/dbraw/zinc/30/95/86/188309586.db2.gz OJZLMLLGKVOBNW-CYBMUJFWSA-N 2 0 227.396 1.258 10 0 BDAERP C(C[C@@H]1CCC[NH2+]1)C[NH+]1CCSCC1 ZINC000052764563 188334153 /nfs/dbraw/zinc/33/41/53/188334153.db2.gz ZLIYEZMBRMMWKE-NSHDSACASA-N 2 0 214.378 1.567 10 0 BDAERP CC(C)[N@H+](C)CCN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628590 188354947 /nfs/dbraw/zinc/35/49/47/188354947.db2.gz AAUPFHPYKRQFGJ-YHWZYXNKSA-N 2 0 225.380 1.281 10 0 BDAERP [NH3+]C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000165906997 358479310 /nfs/dbraw/zinc/47/93/10/358479310.db2.gz MDURQKSFXRKXIR-STQMWFEESA-N 2 0 226.364 1.351 10 0 BDAERP NC(=[NH2+])CC[N@H+](CCc1ccncc1)C1CC1 ZINC000042548137 181186548 /nfs/dbraw/zinc/18/65/48/181186548.db2.gz XGLIHMNCPWUDIX-UHFFFAOYSA-N 2 0 232.331 1.415 10 0 BDAERP NC(=[NH2+])CC[N@@H+]1CCc2ccccc2C1 ZINC000019481377 181187126 /nfs/dbraw/zinc/18/71/26/181187126.db2.gz BURUQNUMCODGCG-UHFFFAOYSA-N 2 0 203.289 1.371 10 0 BDAERP NC(=[NH2+])c1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049333015 181196435 /nfs/dbraw/zinc/19/64/35/181196435.db2.gz TWHAEWPFPLCVMF-UHFFFAOYSA-N 2 0 247.342 1.835 10 0 BDAERP CCC[N@H+](C)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059734 538485247 /nfs/dbraw/zinc/48/52/47/538485247.db2.gz VZPOTMISCQSLJR-HNNXBMFYSA-N 2 0 248.370 1.708 10 0 BDAERP CC(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675078860 538516653 /nfs/dbraw/zinc/51/66/53/538516653.db2.gz AJHMDMGYRQQVBY-QWRGUYRKSA-N 2 0 212.337 1.128 10 0 BDAERP C[C@H]([NH3+])[C@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000160575023 357078223 /nfs/dbraw/zinc/07/82/23/357078223.db2.gz QKFBSPRSRDGYTI-UWVGGRQHSA-N 2 0 214.378 1.551 10 0 BDAERP COCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000656200476 538784411 /nfs/dbraw/zinc/78/44/11/538784411.db2.gz NBIABZXUMDCAJO-VXGBXAGGSA-N 2 0 226.364 1.391 10 0 BDAERP COCC[NH2+]C1CCC(C)(C[NH3+])CC1 ZINC000685946083 538887587 /nfs/dbraw/zinc/88/75/87/538887587.db2.gz JCBBQADTHSZFTB-UHFFFAOYSA-N 2 0 200.326 1.130 10 0 BDAERP COCc1ccc([C@@H](C[NH3+])CC[NH3+])cc1 ZINC000685948875 538891500 /nfs/dbraw/zinc/89/15/00/538891500.db2.gz UZTZUZQLZBXHMR-GFCCVEGCSA-N 2 0 208.305 1.224 10 0 BDAERP [NH3+]CCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1 ZINC000584614769 358279654 /nfs/dbraw/zinc/27/96/54/358279654.db2.gz CEQSRZVYWOOWQH-HDJSIYSDSA-N 2 0 234.343 1.673 10 0 BDAERP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000226229862 358336247 /nfs/dbraw/zinc/33/62/47/358336247.db2.gz RLUUGCCWFIPHCH-BFHYXJOUSA-N 2 0 240.391 1.611 10 0 BDAERP C[NH2+]C1CC[NH+]([C@H]2CCS[C@@H]2C)CC1 ZINC000306330924 359632042 /nfs/dbraw/zinc/63/20/42/359632042.db2.gz FFMMJIXNRYCQJL-KOLCDFICSA-N 2 0 214.378 1.564 10 0 BDAERP CC(C)Cn1cc([C@H]2[NH2+]CC23CC[NH2+]CC3)cn1 ZINC000536956809 360007631 /nfs/dbraw/zinc/00/76/31/360007631.db2.gz AKLMSAAZRSOUGU-CYBMUJFWSA-N 2 0 248.374 1.553 10 0 BDAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)C[NH+]1CCCC1 ZINC000094088939 360296265 /nfs/dbraw/zinc/29/62/65/360296265.db2.gz NHHIXTWDHKNWHQ-HSBZDZAISA-N 3 0 239.407 1.578 10 0 BDAERP C[C@@H]1CSCCN1[C@]1(C[NH3+])CCSC1 ZINC000069760846 360407929 /nfs/dbraw/zinc/40/79/29/360407929.db2.gz LIROYOBWLHVZQW-ZJUUUORDSA-N 2 0 232.418 1.258 10 0 BDAERP O[C@@]1([C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306599391 360521204 /nfs/dbraw/zinc/52/12/04/360521204.db2.gz YMVQPRCIHLYPPQ-CABCVRRESA-N 2 0 246.354 1.375 10 0 BDAERP CS[C@@H]1CCCN(C2(C[NH3+])CC2)CC1 ZINC000300792977 360504145 /nfs/dbraw/zinc/50/41/45/360504145.db2.gz DHYMMXQRVGEGSQ-SNVBAGLBSA-N 2 0 214.378 1.695 10 0 BDAERP C1CC1[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CO1 ZINC000629547806 361431501 /nfs/dbraw/zinc/43/15/01/361431501.db2.gz LUVDVKVEZLYUOD-JHJVBQTASA-N 2 0 224.348 1.286 10 0 BDAERP [NH3+]C1CCC([NH2+]CC(=O)c2nccs2)CC1 ZINC000095077204 181341580 /nfs/dbraw/zinc/34/15/80/181341580.db2.gz NFDSTRZZFARERH-UHFFFAOYSA-N 2 0 239.344 1.185 10 0 BDAERP CO[C@@H]1CN(Cc2ncccc2C)[C@@](C)(C[NH3+])C1 ZINC000630367411 364084859 /nfs/dbraw/zinc/08/48/59/364084859.db2.gz OJNKWHAYSJEYFB-GXTWGEPZSA-N 2 0 249.358 1.328 10 0 BDAERP CCc1nc(C)cc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630569964 364266450 /nfs/dbraw/zinc/26/64/50/364266450.db2.gz LFUXLFNZHUTKTN-ONGXEEELSA-N 2 0 234.347 1.378 10 0 BDAERP CCc1nc(C)cc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630569963 364266469 /nfs/dbraw/zinc/26/64/69/364266469.db2.gz LFUXLFNZHUTKTN-MWLCHTKSSA-N 2 0 234.347 1.378 10 0 BDAERP [NH3+]CCC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000042427593 181371651 /nfs/dbraw/zinc/37/16/51/181371651.db2.gz NAJQENIFHBZJIU-LBPRGKRZSA-N 2 0 212.337 1.226 10 0 BDAERP [NH3+]CCCCC[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000062973661 181375556 /nfs/dbraw/zinc/37/55/56/181375556.db2.gz HYJNNRSPRSHFOZ-CQSZACIVSA-N 2 0 239.407 1.676 10 0 BDAERP CN(C[C@@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000675054245 541433640 /nfs/dbraw/zinc/43/36/40/541433640.db2.gz PCHNZLWUOPXODY-CYBMUJFWSA-N 2 0 239.407 1.402 10 0 BDAERP [NH3+]CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1 ZINC000072236211 181380743 /nfs/dbraw/zinc/38/07/43/181380743.db2.gz WBGQAEYRFILPQR-YVECIDJPSA-N 2 0 206.333 1.479 10 0 BDAERP [NH3+]CCC[NH2+][C@H]1CSCc2ccccc21 ZINC000037713852 181383143 /nfs/dbraw/zinc/38/31/43/181383143.db2.gz HDAHKGJWZLAUKA-LBPRGKRZSA-N 2 0 222.357 1.913 10 0 BDAERP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000574391319 365051602 /nfs/dbraw/zinc/05/16/02/365051602.db2.gz QERUVCLSARSOQO-RWMBFGLXSA-N 2 0 242.407 1.761 10 0 BDAERP [NH3+]CCN(CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000061806525 181390214 /nfs/dbraw/zinc/39/02/14/181390214.db2.gz BAXPJPKLOCWYHH-UHFFFAOYSA-N 2 0 247.264 1.429 10 0 BDAERP CCc1cn2c([nH+]1)NC[C@H]1C[NH2+]CC[C@@H]12 ZINC000234202918 541512149 /nfs/dbraw/zinc/51/21/49/541512149.db2.gz MBHHHZMRKYNEIP-SCZZXKLOSA-N 2 0 206.293 1.022 10 0 BDAERP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H]2CCSC2)C1 ZINC000252786059 368065904 /nfs/dbraw/zinc/06/59/04/368065904.db2.gz PMEOMYDYBCTODR-GUBZILKMSA-N 2 0 200.351 1.161 10 0 BDAERP C[NH2+]Cc1cccc(OC2CC[NH+](C)CC2)c1 ZINC000075171496 368336882 /nfs/dbraw/zinc/33/68/82/368336882.db2.gz JVCPFNWIDQJUQD-UHFFFAOYSA-N 2 0 234.343 1.879 10 0 BDAERP [NH3+][C@@H]1CCCCC[C@H]1C[NH+]1CCC(O)CC1 ZINC000053860617 181573307 /nfs/dbraw/zinc/57/33/07/181573307.db2.gz LEFKXCCBCQXEMY-WCQYABFASA-N 2 0 226.364 1.351 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2cccs2)CC1 ZINC000100267951 181591431 /nfs/dbraw/zinc/59/14/31/181591431.db2.gz SGLJTTMBSZYKFG-AOOOYVTPSA-N 2 0 238.356 1.790 10 0 BDAERP C[C@@H](C[NH3+])C[N@@H+]1CCSC(C)(C)C1 ZINC000133276260 372017265 /nfs/dbraw/zinc/01/72/65/372017265.db2.gz FEWVIRLUUBVGRT-VIFPVBQESA-N 2 0 202.367 1.409 10 0 BDAERP CC[C@H]1C[N@@H+](C2CC([NH3+])C2)CCS1 ZINC000133244736 372010925 /nfs/dbraw/zinc/01/09/25/372010925.db2.gz DLUKURBJRJLYQX-RTBKNWGFSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631842732 372639934 /nfs/dbraw/zinc/63/99/34/372639934.db2.gz DZZNPDQTGNRQCP-PWSUYJOCSA-N 2 0 222.307 1.852 10 0 BDAERP OC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000094010471 183140437 /nfs/dbraw/zinc/14/04/37/183140437.db2.gz VYXURQGAMYAANQ-AWEZNQCLSA-N 2 0 234.343 1.309 10 0 BDAERP Oc1ccc(C[NH2+][C@@H]2CCN3CCC[C@H]23)cc1 ZINC000037168299 183270449 /nfs/dbraw/zinc/27/04/49/183270449.db2.gz QVRUYUXSRXOMEJ-ZIAGYGMSSA-N 2 0 232.327 1.719 10 0 BDAERP CCCN(CC[NH2+]C1CCCC1)CC[NH+](C)C ZINC000041681608 169159737 /nfs/dbraw/zinc/15/97/37/169159737.db2.gz XYQHPHVYJXUMNK-UHFFFAOYSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH+]1CCC(NC2=[NH+]C[C@@H](C)S2)CC1 ZINC000049559146 169188235 /nfs/dbraw/zinc/18/82/35/169188235.db2.gz WZPTULMALMMAHN-SNVBAGLBSA-N 2 0 241.404 1.942 10 0 BDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCN(C)C)CC1 ZINC000037208401 169191084 /nfs/dbraw/zinc/19/10/84/169191084.db2.gz LFXRQLOPCAQCTG-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH+]1CCN(CC[C@H]2CCC[NH2+]2)CC1 ZINC000042171896 169203171 /nfs/dbraw/zinc/20/31/71/169203171.db2.gz JWAZSWIQTQGVMJ-CYBMUJFWSA-N 2 0 225.380 1.156 10 0 BDAERP CCC[NH+]1CCN([C@H](C[NH3+])CC(C)C)CC1 ZINC000022173178 169203532 /nfs/dbraw/zinc/20/35/32/169203532.db2.gz RJVCCLXFXDMGTP-ZDUSSCGKSA-N 2 0 227.396 1.387 10 0 BDAERP c1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000049565122 183338633 /nfs/dbraw/zinc/33/86/33/183338633.db2.gz YTOBVQDSVVTULV-HUUCEWRRSA-N 2 0 245.370 1.841 10 0 BDAERP CCC[NH2+]CC1(O)CC[NH+](CCC)CC1 ZINC000032012985 169256346 /nfs/dbraw/zinc/25/63/46/169256346.db2.gz MYVSEYBMUGWUPH-UHFFFAOYSA-N 2 0 214.353 1.223 10 0 BDAERP CCC[NH2+]CCCC[N@@H+]1CCN(C)[C@H](CC)C1 ZINC000104126304 169257270 /nfs/dbraw/zinc/25/72/70/169257270.db2.gz MSABFUKBHNNBEQ-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]C[C@@H](C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061654712 169261313 /nfs/dbraw/zinc/26/13/13/169261313.db2.gz LSYCGMQOKYYQHA-ZIAGYGMSSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+][C@H](CCC)CN1CC[N@H+](C)[C@H](C)C1 ZINC000104128403 169289146 /nfs/dbraw/zinc/28/91/46/169289146.db2.gz DSXUANGYQGPIPZ-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]Cc1ccc(COCC[NH+](C)C)o1 ZINC000052669563 169266514 /nfs/dbraw/zinc/26/65/14/169266514.db2.gz MIQMZUKJTCGMHC-UHFFFAOYSA-N 2 0 240.347 1.857 10 0 BDAERP CCC[NH2+][C@@H](C)CN1CCC(C[NH+](C)C)CC1 ZINC000044472419 169275206 /nfs/dbraw/zinc/27/52/06/169275206.db2.gz DLGGOEDVGOYRTI-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[C@@H]([NH3+])CN1CCCSCC1 ZINC000042444950 169392830 /nfs/dbraw/zinc/39/28/30/169392830.db2.gz HQKCAEKGFMQSIA-SNVBAGLBSA-N 2 0 202.367 1.553 10 0 BDAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000068590911 384001638 /nfs/dbraw/zinc/00/16/38/384001638.db2.gz CZRLDAXSBGABDL-KBPBESRZSA-N 2 0 218.344 1.946 10 0 BDAERP CS[C@H]1CCC[C@@H]1[NH2+]C1CC([NH3+])C1 ZINC000235138063 384206961 /nfs/dbraw/zinc/20/69/61/384206961.db2.gz ZHAAROBWYUVSAF-QLEHZGMVSA-N 2 0 200.351 1.350 10 0 BDAERP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590684 384518689 /nfs/dbraw/zinc/51/86/89/384518689.db2.gz FIYXWAYSURVQEF-NXEZZACHSA-N 2 0 200.351 1.163 10 0 BDAERP Cc1ccc([C@@H](O)C[NH+]2CCC([NH3+])CC2)cc1C ZINC000011729515 384530933 /nfs/dbraw/zinc/53/09/33/384530933.db2.gz XMFGVJRNXZUURT-HNNXBMFYSA-N 2 0 248.370 1.760 10 0 BDAERP C[C@@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccc[nH]1 ZINC000100256548 384627877 /nfs/dbraw/zinc/62/78/77/384627877.db2.gz HVCYJXIVDRWBNC-MXWKQRLJSA-N 2 0 207.321 1.935 10 0 BDAERP Fc1ccc(F)c(CNC[C@@H]2CC[NH2+]C2)c1 ZINC000258930361 384951618 /nfs/dbraw/zinc/95/16/18/384951618.db2.gz PKWIQIOPTYWAPT-SECBINFHSA-N 2 0 226.270 1.664 10 0 BDAERP CC(C)[C@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310502332 385095311 /nfs/dbraw/zinc/09/53/11/385095311.db2.gz JOOYNJORTYYOJM-KGLIPLIRSA-N 2 0 240.391 1.421 10 0 BDAERP C[C@H]1C[NH2+]CC[N@@H+]([C@H]2CCSC2)C1 ZINC000258093466 385537878 /nfs/dbraw/zinc/53/78/78/385537878.db2.gz KJGDTWZLCFUXGF-UWVGGRQHSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[C@H]1O ZINC000309397825 385562425 /nfs/dbraw/zinc/56/24/25/385562425.db2.gz TWUJXHJPUUPVPE-JHJVBQTASA-N 2 0 228.380 1.645 10 0 BDAERP C[C@@H]([C@H]1CC[NH2+]C1)[NH+]1CCSCC1 ZINC000306760389 385712517 /nfs/dbraw/zinc/71/25/17/385712517.db2.gz AFTJMFIOVCYJIS-UWVGGRQHSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000647800429 385806739 /nfs/dbraw/zinc/80/67/39/385806739.db2.gz AZGLJTXIZDRXQO-IVZWLZJFSA-N 2 0 220.307 1.865 10 0 BDAERP C[C@@H]1SCC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000307128792 385929044 /nfs/dbraw/zinc/92/90/44/385929044.db2.gz DMLJYOZOMSHUOH-QEYWKRMJSA-N 2 0 200.351 1.302 10 0 BDAERP CC(C)CCC[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336727019 385950658 /nfs/dbraw/zinc/95/06/58/385950658.db2.gz VTWVBDCIYYFMIX-CQSZACIVSA-N 2 0 242.407 1.859 10 0 BDAERP COc1cccc([C@@H]([NH3+])CCCC[NH3+])c1F ZINC000575437879 387111024 /nfs/dbraw/zinc/11/10/24/387111024.db2.gz AWZQCYXYBFWWNC-JTQLQIEISA-N 2 0 226.295 1.963 10 0 BDAERP Cc1cc(O)cc(C)c1[C@@H]([NH3+])CCC[NH3+] ZINC000575438069 387113021 /nfs/dbraw/zinc/11/30/21/387113021.db2.gz DGXAYPSLVYTUHF-NSHDSACASA-N 2 0 208.305 1.748 10 0 BDAERP COc1cc(OC)cc([C@H]([NH3+])CCC[NH3+])c1 ZINC000575438928 387120916 /nfs/dbraw/zinc/12/09/16/387120916.db2.gz OGNRGZLZBYNMRB-GFCCVEGCSA-N 2 0 224.304 1.443 10 0 BDAERP COc1ccc(F)c([C@@H]([NH3+])CCC[NH3+])c1 ZINC000575439302 387120967 /nfs/dbraw/zinc/12/09/67/387120967.db2.gz RYFKINQMVOJUPZ-NSHDSACASA-N 2 0 212.268 1.573 10 0 BDAERP COc1ccc(F)c([C@H]([NH3+])CCCC[NH3+])c1 ZINC000575439171 387121286 /nfs/dbraw/zinc/12/12/86/387121286.db2.gz QEIKMGZHGPUGBX-GFCCVEGCSA-N 2 0 226.295 1.963 10 0 BDAERP [NH3+]CCCC[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000575439857 387125841 /nfs/dbraw/zinc/12/58/41/387125841.db2.gz WJBFYXAHTYNVRN-JTQLQIEISA-N 2 0 222.288 1.544 10 0 BDAERP C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400595655 387199064 /nfs/dbraw/zinc/19/90/64/387199064.db2.gz VMNRLMSGUMZSRQ-CHWSQXEVSA-N 2 0 225.380 1.060 10 0 BDAERP CC[C@H](C)[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643464301 387361471 /nfs/dbraw/zinc/36/14/71/387361471.db2.gz UOJSQUIPFZRCNF-IHRRRGAJSA-N 2 0 241.423 1.694 10 0 BDAERP [NH3+][C@H]1CCC[C@@H]1C[NH+]1CCSCC1 ZINC000053864452 387517270 /nfs/dbraw/zinc/51/72/70/387517270.db2.gz BRGSVQIQYYJGBQ-ZJUUUORDSA-N 2 0 200.351 1.163 10 0 BDAERP C[C@H](C[NH2+]C1CC[NH2+]CC1)CC(F)(F)F ZINC000396934155 387521565 /nfs/dbraw/zinc/52/15/65/387521565.db2.gz PUSBYSZDGUVATD-QMMMGPOBSA-N 2 0 224.270 1.917 10 0 BDAERP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000422796157 387695848 /nfs/dbraw/zinc/69/58/48/387695848.db2.gz XLMVFAUOMCRWNY-SWLSCSKDSA-N 2 0 247.386 1.487 10 0 BDAERP C[C@H](NCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643456761 387692693 /nfs/dbraw/zinc/69/26/93/387692693.db2.gz WWRGXHUBBQVPMT-QWHCGFSZSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@H](CN[C@@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129242605 387765273 /nfs/dbraw/zinc/76/52/73/387765273.db2.gz JTFSAXRPFLLPIT-ZIAGYGMSSA-N 2 0 239.407 1.450 10 0 BDAERP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151254484 387810242 /nfs/dbraw/zinc/81/02/42/387810242.db2.gz OJXRBAYWFUHNMA-MJBXVCDLSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000422972458 387821545 /nfs/dbraw/zinc/82/15/45/387821545.db2.gz LRDTVWHCKMXJNO-MCIONIFRSA-N 2 0 239.407 1.306 10 0 BDAERP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000193612528 387859645 /nfs/dbraw/zinc/85/96/45/387859645.db2.gz IMHJIPGNCJXQNT-FRRDWIJNSA-N 2 0 206.333 1.589 10 0 BDAERP Cc1csc(CC[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000168750202 387909460 /nfs/dbraw/zinc/90/94/60/387909460.db2.gz RFTWNUIKVDOKJD-LLVKDONJSA-N 2 0 239.388 1.726 10 0 BDAERP Cc1ccc(CC[NH2+]C2CCC([NH3+])CC2)nc1 ZINC000423163010 387945549 /nfs/dbraw/zinc/94/55/49/387945549.db2.gz MBTNNLNADMCCRB-UHFFFAOYSA-N 2 0 233.359 1.792 10 0 BDAERP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)[C@H](C)O1 ZINC000423174928 387962397 /nfs/dbraw/zinc/96/23/97/387962397.db2.gz DCLZDNICVXOIGW-YVECIDJPSA-N 2 0 226.364 1.532 10 0 BDAERP C[NH+](C)CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000042396115 388092923 /nfs/dbraw/zinc/09/29/23/388092923.db2.gz HNFNMBFKUIHMKL-UONOGXRCSA-N 2 0 240.391 1.564 10 0 BDAERP CC(C)[C@@H](CN[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000086725750 388107748 /nfs/dbraw/zinc/10/77/48/388107748.db2.gz COKCTRHCJQRYQH-CHWSQXEVSA-N 2 0 225.380 1.058 10 0 BDAERP CCC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CCOCC1 ZINC000400328404 388116324 /nfs/dbraw/zinc/11/63/24/388116324.db2.gz FEPBCQSUEOCMEV-OLZOCXBDSA-N 2 0 240.391 1.781 10 0 BDAERP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C(C)(C)O ZINC000394005864 388448725 /nfs/dbraw/zinc/44/87/25/388448725.db2.gz UWBCHPIDISVBAJ-WDEREUQCSA-N 2 0 214.353 1.268 10 0 BDAERP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000521858998 388634503 /nfs/dbraw/zinc/63/45/03/388634503.db2.gz MCSIPWLQBLQQJF-QCNOEVLYSA-N 2 0 226.364 1.124 10 0 BDAERP CCOC[C@@H](C)[NH2+][C@@H]1CCCN(CC)C1 ZINC000222590236 388640306 /nfs/dbraw/zinc/64/03/06/388640306.db2.gz BVXZKPDHBYKVMT-VXGBXAGGSA-N 2 0 214.353 1.485 10 0 BDAERP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000566088885 388986725 /nfs/dbraw/zinc/98/67/25/388986725.db2.gz GRELXANPIOKREB-KXNHARMFSA-N 2 0 228.405 1.858 10 0 BDAERP C[NH2+][C@@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575508169 388993799 /nfs/dbraw/zinc/99/37/99/388993799.db2.gz OOMUTXJGFMZXGF-GJZGRUSLSA-N 2 0 246.354 1.639 10 0 BDAERP C[C@@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000400485077 533357786 /nfs/dbraw/zinc/35/77/86/533357786.db2.gz XDOXMLLOCDIMOM-MNOVXSKESA-N 2 0 208.349 1.764 10 0 BDAERP C[C@@H](NCC1([NH+](C)C)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400347425 533360923 /nfs/dbraw/zinc/36/09/23/533360923.db2.gz LAAGATNRUQTRIT-OLZOCXBDSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H](CO)C1CC[NH+](CCCC[NH3+])CC1 ZINC000002013771 134215550 /nfs/dbraw/zinc/21/55/50/134215550.db2.gz DZCRLRIXXMTCRQ-LLVKDONJSA-N 2 0 214.353 1.066 10 0 BDAERP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227467580 134384308 /nfs/dbraw/zinc/38/43/08/134384308.db2.gz PDZDUOCVKGKLNC-IHRRRGAJSA-N 2 0 239.407 1.528 10 0 BDAERP C[NH+](C)CCC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000250342828 135052973 /nfs/dbraw/zinc/05/29/73/135052973.db2.gz DLQDDIJWNPFESR-QWHCGFSZSA-N 2 0 228.380 1.421 10 0 BDAERP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251824885 135082376 /nfs/dbraw/zinc/08/23/76/135082376.db2.gz PDZDUOCVKGKLNC-RDBSUJKOSA-N 2 0 239.407 1.528 10 0 BDAERP CC1(C)C[N@H+](CCOCC2CC2)CC[C@@H]1[NH3+] ZINC000261604666 135237649 /nfs/dbraw/zinc/23/76/49/135237649.db2.gz AKDSOIQAHZTLLM-LBPRGKRZSA-N 2 0 226.364 1.472 10 0 BDAERP [NH3+]CCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000262948740 135324872 /nfs/dbraw/zinc/32/48/72/135324872.db2.gz JIRFDMZEZFKWNY-MNOVXSKESA-N 2 0 240.372 1.595 10 0 BDAERP CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263205602 135339248 /nfs/dbraw/zinc/33/92/48/135339248.db2.gz JQDFDNOIJXMAQX-RFGFWPKPSA-N 2 0 240.391 1.373 10 0 BDAERP Cc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000263279473 135344625 /nfs/dbraw/zinc/34/46/25/135344625.db2.gz UAQYVGPLPDLXPB-GJZGRUSLSA-N 2 0 248.370 1.282 10 0 BDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCC1CCCCC1 ZINC000263317179 135346755 /nfs/dbraw/zinc/34/67/55/135346755.db2.gz ZQROLJWDWGROEP-CHWSQXEVSA-N 2 0 226.364 1.127 10 0 BDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000389649816 398117300 /nfs/dbraw/zinc/11/73/00/398117300.db2.gz VIEWKZBLKMUBCT-UTUOFQBUSA-N 2 0 214.353 1.397 10 0 BDAERP C[C@H]1CCC[C@H](C[NH2+]C2CCC([NH3+])CC2)O1 ZINC000665265093 410737056 /nfs/dbraw/zinc/73/70/56/410737056.db2.gz OZOCEWCOKFKSIL-YWPUVAFDSA-N 2 0 226.364 1.804 10 0 BDAERP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000665274084 410742602 /nfs/dbraw/zinc/74/26/02/410742602.db2.gz JKSPTKRLEWKOFV-MJBXVCDLSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000395113258 410837334 /nfs/dbraw/zinc/83/73/34/410837334.db2.gz BOBQNOIPWIPAHO-RWMBFGLXSA-N 2 0 226.364 1.676 10 0 BDAERP CC(C)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073654321 166974138 /nfs/dbraw/zinc/97/41/38/166974138.db2.gz AVDWWHNNRHJAAA-KGLIPLIRSA-N 2 0 239.407 1.258 10 0 BDAERP CC(C)C[NH2+]C1(CO)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038122086 167003749 /nfs/dbraw/zinc/00/37/49/167003749.db2.gz JUFHSJUPAUMGEX-FUNVUKJBSA-N 2 0 226.364 1.220 10 0 BDAERP CC(C)[NH2+]Cc1ccoc1COCC[NH+](C)C ZINC000052669537 167120718 /nfs/dbraw/zinc/12/07/18/167120718.db2.gz ZBURBONCTIUQNB-UHFFFAOYSA-N 2 0 240.347 1.856 10 0 BDAERP CC(C)[C@@H](C[NH3+])OC1CC[NH+](C)CC1 ZINC000052596732 167396708 /nfs/dbraw/zinc/39/67/08/167396708.db2.gz NHBKRIBVHCGSEN-LLVKDONJSA-N 2 0 200.326 1.081 10 0 BDAERP Cn1cc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cn1 ZINC000310394190 411234446 /nfs/dbraw/zinc/23/44/46/411234446.db2.gz JHUQBBLCNJXBEL-WCQYABFASA-N 2 0 234.347 1.167 10 0 BDAERP Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cn1 ZINC000310394191 411234587 /nfs/dbraw/zinc/23/45/87/411234587.db2.gz JHUQBBLCNJXBEL-YPMHNXCESA-N 2 0 234.347 1.167 10 0 BDAERP C1[C@@H]2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C[C@H]12 ZINC000403687555 411353898 /nfs/dbraw/zinc/35/38/98/411353898.db2.gz RKNQTGXIMDTHBS-WUHRBBMRSA-N 2 0 208.349 1.907 10 0 BDAERP C[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000656782775 411360460 /nfs/dbraw/zinc/36/04/60/411360460.db2.gz JPNAMBMQTFXTGT-UPJWGTAASA-N 2 0 233.359 1.773 10 0 BDAERP CC[N@@H+]1CC[C@H](CN2CC[C@H]([NH2+]C)[C@H](C)C2)C1 ZINC000049712893 170015008 /nfs/dbraw/zinc/01/50/08/170015008.db2.gz MAWQJHIRJXFBKB-RDBSUJKOSA-N 2 0 239.407 1.258 10 0 BDAERP CC[NH2+]C(C)(C)CN(C)C1CC[NH+](CC)CC1 ZINC000061299862 170107400 /nfs/dbraw/zinc/10/74/00/170107400.db2.gz KBYGYONMRBJOKA-UHFFFAOYSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C1CCN([C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000049216620 170109815 /nfs/dbraw/zinc/10/98/15/170109815.db2.gz YHHXGIXWRCSQRN-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H](O)C2)CCCC1 ZINC000051257025 170110802 /nfs/dbraw/zinc/11/08/02/170110802.db2.gz IVRBZCFGNGJDNT-ZDUSSCGKSA-N 2 0 240.391 1.613 10 0 BDAERP CC[NH2+]CCCCC[N@H+](C)Cc1cnn(C)c1 ZINC000052570402 170111807 /nfs/dbraw/zinc/11/18/07/170111807.db2.gz OIZNTFSLRCTZNW-UHFFFAOYSA-N 2 0 238.379 1.632 10 0 BDAERP CC[NH2+]CCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000061278629 170112193 /nfs/dbraw/zinc/11/21/93/170112193.db2.gz MWIGTOPYWOPSLS-UHFFFAOYSA-N 2 0 243.395 1.221 10 0 BDAERP CC[NH2+]CCC[C@H](C)[N@H+](C)Cc1nccn1C ZINC000062326267 170112340 /nfs/dbraw/zinc/11/23/40/170112340.db2.gz YOPSHWBWELCMMN-LBPRGKRZSA-N 2 0 238.379 1.630 10 0 BDAERP CC[NH2+]CCOCc1ncc(C)c(OC)c1C ZINC000051844106 170116668 /nfs/dbraw/zinc/11/66/68/170116668.db2.gz XFPKFJWDYFMRHL-UHFFFAOYSA-N 2 0 238.331 1.833 10 0 BDAERP CC[NH2+]C[C@H](O)C[N@H+](CCOC)C(CC)CC ZINC000042615904 170121661 /nfs/dbraw/zinc/12/16/61/170121661.db2.gz QYRVVEWVESJZGK-ZDUSSCGKSA-N 2 0 246.395 1.094 10 0 BDAERP CC[NH2+]C[C@](C)(CC)C[NH+]1CCC(CO)CC1 ZINC000051206050 170123302 /nfs/dbraw/zinc/12/33/02/170123302.db2.gz ATJXMHCXPMPSKB-AWEZNQCLSA-N 2 0 242.407 1.717 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCC(O)CC1 ZINC000053860491 170152195 /nfs/dbraw/zinc/15/21/95/170152195.db2.gz SPTZMUVPBGNKHI-WCQYABFASA-N 2 0 226.364 1.221 10 0 BDAERP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@H+](CC)C2)C1 ZINC000049216644 170152639 /nfs/dbraw/zinc/15/26/39/170152639.db2.gz VQBVOBCOPLDWCD-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+][C@H](CC[N@@H+]1CCC[C@H](O)C1)C(C)(C)C ZINC000054029267 170161372 /nfs/dbraw/zinc/16/13/72/170161372.db2.gz TVIGWXDLCNTALF-QWHCGFSZSA-N 2 0 242.407 1.857 10 0 BDAERP CCOC1CC[NH+]([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000040678531 170332413 /nfs/dbraw/zinc/33/24/13/170332413.db2.gz IPIBOGPMRXLMMQ-WCQYABFASA-N 2 0 226.364 1.615 10 0 BDAERP CC[C@@H]1CC[N@H+](CCOC)CCC[NH2+]1 ZINC000049665402 171012500 /nfs/dbraw/zinc/01/25/00/171012500.db2.gz FYILXJYBSPEKMC-LLVKDONJSA-N 2 0 200.326 1.097 10 0 BDAERP CC[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000044982824 171012955 /nfs/dbraw/zinc/01/29/55/171012955.db2.gz IJKGSIYYRJNINR-QWHCGFSZSA-N 2 0 226.364 1.487 10 0 BDAERP CC[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000049662305 171014485 /nfs/dbraw/zinc/01/44/85/171014485.db2.gz GOSJWSVBTNGORX-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+](CCO)C2CC2)C1 ZINC000053880322 171041122 /nfs/dbraw/zinc/04/11/22/171041122.db2.gz PJPLCCFFPHBDGV-MBNYWOFBSA-N 2 0 240.391 1.597 10 0 BDAERP CC[C@@](C)(C[NH3+])CN1CC[NH+](C(C)(C)C)CC1 ZINC000051257986 171166737 /nfs/dbraw/zinc/16/67/37/171166737.db2.gz RZBUCLXHOAOHGO-AWEZNQCLSA-N 2 0 241.423 1.778 10 0 BDAERP CC[C@@]1(C[N@H+](C)C[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062862476 171211019 /nfs/dbraw/zinc/21/10/19/171211019.db2.gz NFPWYMQVZGNADU-UONOGXRCSA-N 2 0 240.391 1.877 10 0 BDAERP CC[C@H](C)N(C)C1(C[NH3+])CC[NH+](C)CC1 ZINC000037109853 171304377 /nfs/dbraw/zinc/30/43/77/171304377.db2.gz ZUSYHTNEIHVIOR-NSHDSACASA-N 2 0 213.369 1.140 10 0 BDAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000055066897 171318507 /nfs/dbraw/zinc/31/85/07/171318507.db2.gz SHFOVTHUEOYENR-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055065348 171319349 /nfs/dbraw/zinc/31/93/49/171319349.db2.gz VREDHVDEEULBQZ-MELADBBJSA-N 2 0 239.407 1.672 10 0 BDAERP CC[C@H](CC[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000037049596 171319406 /nfs/dbraw/zinc/31/94/06/171319406.db2.gz HJIHYWWEYCPSDI-QWHCGFSZSA-N 2 0 227.396 1.530 10 0 BDAERP CC[C@H](C)[C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000042744423 171392534 /nfs/dbraw/zinc/39/25/34/171392534.db2.gz LZPOOJCYIPVUJT-KBPBESRZSA-N 2 0 243.439 1.879 10 0 BDAERP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000665276130 412219377 /nfs/dbraw/zinc/21/93/77/412219377.db2.gz YWAXWVCVNILZBX-MRVWCRGKSA-N 2 0 240.391 1.779 10 0 BDAERP C[NH+](C)C1CCN([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000036191824 172407186 /nfs/dbraw/zinc/40/71/86/172407186.db2.gz SNTMPIDLDUHBHD-OLZOCXBDSA-N 2 0 225.380 1.282 10 0 BDAERP C[NH+](C)CCc1ncc(C[NH2+]C2CC2)s1 ZINC000082418195 172477764 /nfs/dbraw/zinc/47/77/64/172477764.db2.gz QSGIDGGIPUBMAW-UHFFFAOYSA-N 2 0 225.361 1.499 10 0 BDAERP C[NH+]1CCC([C@@H]([NH3+])c2cccnc2)CC1 ZINC000077299187 173000319 /nfs/dbraw/zinc/00/03/19/173000319.db2.gz SZDGFDYXPTWGMT-GFCCVEGCSA-N 2 0 205.305 1.423 10 0 BDAERP C[N@@H+]1CCCN([C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000034676256 173017185 /nfs/dbraw/zinc/01/71/85/173017185.db2.gz GITCWTVYIMNOLM-HNNXBMFYSA-N 2 0 247.386 1.194 10 0 BDAERP C[N@@H+]1CCC[C@@H](n2c(N)[nH+]c3ccccc32)C1 ZINC000042278785 173022863 /nfs/dbraw/zinc/02/28/63/173022863.db2.gz JYAQQOFYPPCGRV-SNVBAGLBSA-N 2 0 230.315 1.885 10 0 BDAERP C[N@H+](C[C@@H](O)C(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000336721917 173042500 /nfs/dbraw/zinc/04/25/00/173042500.db2.gz XRKZAEXRZSVLCL-QWHCGFSZSA-N 2 0 242.407 1.667 10 0 BDAERP C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2OC)CC1 ZINC000050374058 173323583 /nfs/dbraw/zinc/32/35/83/173323583.db2.gz SDTYWGBEXWNHCD-NEPJUHHUSA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]C[C@@H](c1ccccc1)N1CC[N@H+](C)[C@H](C)C1 ZINC000104138749 173367171 /nfs/dbraw/zinc/36/71/71/173367171.db2.gz GVAPCGPHMCNRBP-HIFRSBDPSA-N 2 0 247.386 1.583 10 0 BDAERP C[NH2+]C[C@@H]1CCN([C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000053032797 173370773 /nfs/dbraw/zinc/37/07/73/173370773.db2.gz SDBZYOFPDJRGSX-BFHYXJOUSA-N 2 0 237.391 1.155 10 0 BDAERP C[NH2+]C[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000053033686 173371100 /nfs/dbraw/zinc/37/11/00/173371100.db2.gz AIZLYFDYTIEKRA-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2OC)C1 ZINC000011892001 173371132 /nfs/dbraw/zinc/37/11/32/173371132.db2.gz HQCZEQTULCKICY-ZDUSSCGKSA-N 2 0 248.370 1.779 10 0 BDAERP C[NH2+]C[C@H]1CCN(C[C@H](C)[NH+]2CCCCC2)C1 ZINC000053034122 173382100 /nfs/dbraw/zinc/38/21/00/173382100.db2.gz ZKRUWTYUEBRCDU-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP C[NH2+]Cc1cc(CN(C)CC[NH+](C)C)oc1C ZINC000104203303 173387399 /nfs/dbraw/zinc/38/73/99/173387399.db2.gz QFAZVAOEFZKEBI-UHFFFAOYSA-N 2 0 239.363 1.301 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453155 173390920 /nfs/dbraw/zinc/39/09/20/173390920.db2.gz XKNXONNCCXQLDF-LLVKDONJSA-N 2 0 240.372 1.936 10 0 BDAERP C[NH2+]Cc1ccoc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000104132396 173391254 /nfs/dbraw/zinc/39/12/54/173391254.db2.gz ZFXKGYINNOBASY-NSHDSACASA-N 2 0 237.347 1.135 10 0 BDAERP C[NH2+]Cc1ccnc(N(C)CC[NH+]2CCCC2)c1 ZINC000063053877 173391468 /nfs/dbraw/zinc/39/14/68/173391468.db2.gz IDPRSNDBKXAEFD-UHFFFAOYSA-N 2 0 248.374 1.333 10 0 BDAERP C[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)C1CCOCC1 ZINC000053858328 173431183 /nfs/dbraw/zinc/43/11/83/173431183.db2.gz MEBAQTJBCJEMHO-TZMCWYRMSA-N 2 0 240.391 1.875 10 0 BDAERP COC(=O)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042394707 173620889 /nfs/dbraw/zinc/62/08/89/173620889.db2.gz BIHUAWPUINVXBB-LLVKDONJSA-N 2 0 242.363 1.212 10 0 BDAERP COC1CC[NH+]([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037265716 174030301 /nfs/dbraw/zinc/03/03/01/174030301.db2.gz RJRVJLOHYBBLAW-YPMHNXCESA-N 2 0 226.364 1.615 10 0 BDAERP COC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000037265708 174030416 /nfs/dbraw/zinc/03/04/16/174030416.db2.gz VDRYGTSWQQTUEM-OUCADQQQSA-N 2 0 240.391 1.861 10 0 BDAERP COCCC[N@H+](CCOC)CC[C@H]1CCC[NH2+]1 ZINC000042425422 174223368 /nfs/dbraw/zinc/22/33/68/174223368.db2.gz FELLZPAHDUPYQE-CYBMUJFWSA-N 2 0 244.379 1.113 10 0 BDAERP COCCC[NH2+]CCC[NH+]1CCCC1 ZINC000041210386 174247139 /nfs/dbraw/zinc/24/71/39/174247139.db2.gz DALOUQUDWYVHON-UHFFFAOYSA-N 2 0 200.326 1.098 10 0 BDAERP COCC[N@H+](C)CC[C@H]([NH3+])c1ccc(F)cc1 ZINC000053984527 174278980 /nfs/dbraw/zinc/27/89/80/174278980.db2.gz UTVPWPVYCZQDNA-ZDUSSCGKSA-N 2 0 240.322 1.794 10 0 BDAERP COCC[NH+](CCOC)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000070578521 174296290 /nfs/dbraw/zinc/29/62/90/174296290.db2.gz GSAKKBABIMWQOI-STQMWFEESA-N 2 0 244.379 1.099 10 0 BDAERP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C1CC1 ZINC000042689363 174298312 /nfs/dbraw/zinc/29/83/12/174298312.db2.gz DIQOPSPZHWKIKC-QWHCGFSZSA-N 2 0 240.391 1.733 10 0 BDAERP COCC[N@H+]([C@H](C)COC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042602059 174302211 /nfs/dbraw/zinc/30/22/11/174302211.db2.gz SWULTYLWHGYBCP-JHJVBQTASA-N 2 0 244.379 1.097 10 0 BDAERP COc1ccc(C[C@H](C[NH3+])C[NH+]2CCCC2)cc1 ZINC000011800183 175117289 /nfs/dbraw/zinc/11/72/89/175117289.db2.gz AQCNSUVWEINQFV-CQSZACIVSA-N 2 0 248.370 1.908 10 0 BDAERP COc1cccc(C[C@H](C[NH3+])C[NH+](C)C)c1 ZINC000011799975 175271388 /nfs/dbraw/zinc/27/13/88/175271388.db2.gz GXUUCPPWYPXOGN-GFCCVEGCSA-N 2 0 222.332 1.374 10 0 BDAERP COc1ccccc1C[C@H](C[NH3+])C[NH+](C)C ZINC000011799971 175333541 /nfs/dbraw/zinc/33/35/41/175333541.db2.gz LKOWEPPRGNLLDT-LLVKDONJSA-N 2 0 222.332 1.374 10 0 BDAERP COc1ccccc1[C@H](CC[NH3+])C[NH+](C)C ZINC000076611353 175353667 /nfs/dbraw/zinc/35/36/67/175353667.db2.gz RRUNBPGYDSADDO-LLVKDONJSA-N 2 0 222.332 1.689 10 0 BDAERP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068369 175888259 /nfs/dbraw/zinc/88/82/59/175888259.db2.gz QDAHSDNKNJEDRI-GHMZBOCLSA-N 2 0 207.321 1.665 10 0 BDAERP C[C@@H]([NH3+])[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000042462030 176011451 /nfs/dbraw/zinc/01/14/51/176011451.db2.gz YCMXRNRNWXXJEZ-MNOVXSKESA-N 2 0 213.369 1.138 10 0 BDAERP C[C@@H](c1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245112 176016624 /nfs/dbraw/zinc/01/66/24/176016624.db2.gz MCGNPQUERFFISN-WDEREUQCSA-N 2 0 248.326 1.757 10 0 BDAERP C[C@@H]1CCC[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052180458 176108502 /nfs/dbraw/zinc/10/85/02/176108502.db2.gz WFAVBUZCUCTBSE-LLVKDONJSA-N 2 0 212.337 1.226 10 0 BDAERP C[C@@H]1CCC[C@@H]([N@H+](C)C[C@]2(C[NH3+])CCOC2)C1 ZINC000051251792 176120432 /nfs/dbraw/zinc/12/04/32/176120432.db2.gz CNVOVMBKWQSSEQ-MGPQQGTHSA-N 2 0 240.391 1.862 10 0 BDAERP C[C@@H]1CC[N@H+](CC2(C[NH3+])CCOCC2)[C@H](C)C1 ZINC000052198248 176167908 /nfs/dbraw/zinc/16/79/08/176167908.db2.gz DEHQAWYKGPMTLM-CHWSQXEVSA-N 2 0 240.391 1.862 10 0 BDAERP C[C@@H]1CC[N@H+](CC2(O)CC[NH2+]CC2)[C@H](C)C1 ZINC000051732082 176168336 /nfs/dbraw/zinc/16/83/36/176168336.db2.gz MJVXCZBINFSFCT-VXGBXAGGSA-N 2 0 226.364 1.221 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038096171 176278278 /nfs/dbraw/zinc/27/82/78/176278278.db2.gz AQUHUUNWSKYNQV-MQYQWHSLSA-N 2 0 240.391 1.874 10 0 BDAERP C[C@@H]1C[NH+](C2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000055144215 176281282 /nfs/dbraw/zinc/28/12/82/176281282.db2.gz SPUNAZQUSHKSBT-QYNFOATHSA-N 2 0 212.337 1.366 10 0 BDAERP C[C@@H]1C[N@H+](CCC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000061918635 176290328 /nfs/dbraw/zinc/29/03/28/176290328.db2.gz LHIVKJBMGPAAGL-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]1C[N@H+](Cc2cc(C[NH3+])co2)CCCO1 ZINC000061935625 176302074 /nfs/dbraw/zinc/30/20/74/176302074.db2.gz PEQPWXVQMLWOJB-SNVBAGLBSA-N 2 0 224.304 1.349 10 0 BDAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000309461284 176396764 /nfs/dbraw/zinc/39/67/64/176396764.db2.gz RUAXIAVACHTWDB-UPJWGTAASA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H](C[NH+]1CCCC1)Nc1cc[nH+]cc1N ZINC000042598563 176664709 /nfs/dbraw/zinc/66/47/09/176664709.db2.gz JNZCJMIEWGQFKQ-SNVBAGLBSA-N 2 0 220.320 1.560 10 0 BDAERP C[C@H]1CCCCN1C1(C[NH3+])CC[NH+](C)CC1 ZINC000019482420 177073788 /nfs/dbraw/zinc/07/37/88/177073788.db2.gz QJVDBKMTGANEHE-LBPRGKRZSA-N 2 0 225.380 1.284 10 0 BDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061274952 177117456 /nfs/dbraw/zinc/11/74/56/177117456.db2.gz RYJVIGKGNIJNGW-OKILXGFUSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@@H]1CCN(C2CC[NH+](C)CC2)CC[C@H](C)[NH2+]1 ZINC000049665935 177156693 /nfs/dbraw/zinc/15/66/93/177156693.db2.gz WBBUZQMNIMVBKX-BETUJISGSA-N 2 0 239.407 1.543 10 0 BDAERP C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000042824622 177161766 /nfs/dbraw/zinc/16/17/66/177161766.db2.gz DZCLMSWEYVCXHG-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP C[C@H]1CC[N@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000040716991 177165831 /nfs/dbraw/zinc/16/58/31/177165831.db2.gz LHBMNQCXRNBFIA-NSHDSACASA-N 2 0 204.317 1.987 10 0 BDAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccncc1 ZINC000042427325 177189867 /nfs/dbraw/zinc/18/98/67/177189867.db2.gz DHPMVNHQRDZMKX-AAEUAGOBSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@H]1C[NH+](C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000055144212 177241537 /nfs/dbraw/zinc/24/15/37/177241537.db2.gz SPUNAZQUSHKSBT-JYBOHDQNSA-N 2 0 212.337 1.366 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])o2)CCCO1 ZINC000061935392 177262341 /nfs/dbraw/zinc/26/23/41/177262341.db2.gz JTCIICGNBRBQSW-JTQLQIEISA-N 2 0 224.304 1.349 10 0 BDAERP C[C@H]1C[NH+]=C(NC[C@@H]2CCCC[N@@H+]2C)S1 ZINC000044563804 177281291 /nfs/dbraw/zinc/28/12/91/177281291.db2.gz QBKGGEXBVYVDPG-UWVGGRQHSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@H]1C[NH2+]CCCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000049667045 177281611 /nfs/dbraw/zinc/28/16/11/177281611.db2.gz PDVLQKZVLZMGIH-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1C[NH2+]CCCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000049664551 177281977 /nfs/dbraw/zinc/28/19/77/177281977.db2.gz MHSVBWPZDKKCLY-GXTWGEPZSA-N 2 0 237.391 1.012 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C2CCN(C)CC2)C1 ZINC000049665945 177285125 /nfs/dbraw/zinc/28/51/25/177285125.db2.gz OBFAMWTUKLPPTM-BETUJISGSA-N 2 0 239.407 1.258 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](Cc2ccco2)C1 ZINC000049664347 177285461 /nfs/dbraw/zinc/28/54/61/177285461.db2.gz LZIQHCKODULJAN-TXEJJXNPSA-N 2 0 222.332 1.957 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CC[NH2+]C1 ZINC000400382465 225107255 /nfs/dbraw/zinc/10/72/55/225107255.db2.gz KSBHVODMMJASLK-ZDEQEGDKSA-N 2 0 226.364 1.125 10 0 BDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@@H+]2C)C1 ZINC000225888545 487653288 /nfs/dbraw/zinc/65/32/88/487653288.db2.gz SBBPJDVSPAYOAG-KGLIPLIRSA-N 2 0 239.407 1.543 10 0 BDAERP C[C@@H](C[NH2+]C1CC[NH2+]CC1)CC(F)(F)F ZINC000396934151 262828556 /nfs/dbraw/zinc/82/85/56/262828556.db2.gz PUSBYSZDGUVATD-MRVPVSSYSA-N 2 0 224.270 1.917 10 0 BDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136447201 487736266 /nfs/dbraw/zinc/73/62/66/487736266.db2.gz GJKHSKIAXZTDSI-NEPJUHHUSA-N 2 0 243.395 1.206 10 0 BDAERP CCCN(CC[NH+](C)C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136447339 487735918 /nfs/dbraw/zinc/73/59/18/487735918.db2.gz BQDJQVJLWMLBGC-LBPRGKRZSA-N 2 0 243.395 1.160 10 0 BDAERP Cn1nccc1CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226468272 487753064 /nfs/dbraw/zinc/75/30/64/487753064.db2.gz LYXFCETYONKZQR-GFCCVEGCSA-N 2 0 236.363 1.037 10 0 BDAERP COCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000666774680 487878550 /nfs/dbraw/zinc/87/85/50/487878550.db2.gz RHBSJFQIIJULFY-SRVKXCTJSA-N 2 0 214.353 1.389 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403765768 323013035 /nfs/dbraw/zinc/01/30/35/323013035.db2.gz SEFZSYZVOBHAET-GRYCIOLGSA-N 2 0 208.349 1.764 10 0 BDAERP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@H]1CCC[NH2+]C1 ZINC000562959454 323035320 /nfs/dbraw/zinc/03/53/20/323035320.db2.gz QFKGYGCSPYZGQY-XQQFMLRXSA-N 2 0 228.380 1.373 10 0 BDAERP CCC(O)(CC)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571312871 323140966 /nfs/dbraw/zinc/14/09/66/323140966.db2.gz IUXBFVPQJPMTHM-NEPJUHHUSA-N 2 0 228.380 1.515 10 0 BDAERP CCC(O)(CC)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571312878 323141015 /nfs/dbraw/zinc/14/10/15/323141015.db2.gz IUXBFVPQJPMTHM-VXGBXAGGSA-N 2 0 228.380 1.515 10 0 BDAERP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000258847825 323146554 /nfs/dbraw/zinc/14/65/54/323146554.db2.gz XALLPSJMARDHQQ-MRVPVSSYSA-N 2 0 214.259 1.792 10 0 BDAERP C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400340724 324166771 /nfs/dbraw/zinc/16/67/71/324166771.db2.gz GQKUCQUZKABSNT-HLTSFMKQSA-N 2 0 224.270 1.915 10 0 BDAERP C[C@@H]([NH2+]CC(C)(C)CCCO)[C@H]1CCC[NH2+]C1 ZINC000566091063 325992680 /nfs/dbraw/zinc/99/26/80/325992680.db2.gz YVNJCUPTJWSLPV-OLZOCXBDSA-N 2 0 242.407 1.763 10 0 BDAERP C[C@H]([NH2+]CCC1(O)CCC1)[C@H]1CCC[NH2+]C1 ZINC000567639299 326236131 /nfs/dbraw/zinc/23/61/31/326236131.db2.gz FIFJFHRFDORPAK-RYUDHWBXSA-N 2 0 226.364 1.269 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000567647067 326238114 /nfs/dbraw/zinc/23/81/14/326238114.db2.gz QVCQXMOIBLHKML-RWMBFGLXSA-N 2 0 242.407 1.761 10 0 BDAERP Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000568618540 326367671 /nfs/dbraw/zinc/36/76/71/326367671.db2.gz KTKISMTVBFQRPO-VXGBXAGGSA-N 2 0 222.332 1.718 10 0 BDAERP C[C@H]([NH2+][C@@H]1CSC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000568868846 326378797 /nfs/dbraw/zinc/37/87/97/326378797.db2.gz UWPNWJGDMRPROX-GARJFASQSA-N 2 0 228.405 1.858 10 0 BDAERP CCN1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142399 488079430 /nfs/dbraw/zinc/07/94/30/488079430.db2.gz HLXFLALDWIGOBT-GXTWGEPZSA-N 3 0 239.407 1.401 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC3CC=CC3)C[C@H]12 ZINC000662266476 487502328 /nfs/dbraw/zinc/50/23/28/487502328.db2.gz MFMSNEHIPHBSIS-RWMBFGLXSA-N 2 0 206.333 1.622 10 0 BDAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@H](C)CCO2 ZINC000757143593 582524004 /nfs/dbraw/zinc/52/40/04/582524004.db2.gz DNVPWZTXUWLABH-GFCCVEGCSA-N 2 0 226.364 1.833 10 0 BDAERP CCC[C@@H]1CCO[C@@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757147706 582531585 /nfs/dbraw/zinc/53/15/85/582531585.db2.gz SQPNYSHFLRQLME-CHWSQXEVSA-N 2 0 226.364 1.977 10 0 BDAERP C[C@H]([NH2+]C[C@@]1(C)CCCS1)[C@@H]1CC[NH2+]C1 ZINC000400339377 533891656 /nfs/dbraw/zinc/89/16/56/533891656.db2.gz GIGYJWNHSPQSET-QJPTWQEYSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400535359 533926900 /nfs/dbraw/zinc/92/69/00/533926900.db2.gz SZASJZLADMKWLG-JQWIXIFHSA-N 2 0 222.307 1.913 10 0 BDAERP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])nc1 ZINC000400824183 534089700 /nfs/dbraw/zinc/08/97/00/534089700.db2.gz JEHVKAMCNWPDGK-AAEUAGOBSA-N 2 0 219.332 1.607 10 0 BDAERP CC(C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000242400355 519731149 /nfs/dbraw/zinc/73/11/49/519731149.db2.gz AVDWWHNNRHJAAA-ZIAGYGMSSA-N 2 0 239.407 1.258 10 0 BDAERP CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C[NH3+])[C@@H]3C2)cc1 ZINC000253606538 523931053 /nfs/dbraw/zinc/93/10/53/523931053.db2.gz POACMADOUNDKOW-QDMKHBRRSA-N 2 0 230.355 1.886 10 0 BDAERP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400360021 527948310 /nfs/dbraw/zinc/94/83/10/527948310.db2.gz NJDLSCKXHRWOPG-NWDGAFQWSA-N 2 0 214.353 1.389 10 0 BDAERP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400360022 527948409 /nfs/dbraw/zinc/94/84/09/527948409.db2.gz NJDLSCKXHRWOPG-RYUDHWBXSA-N 2 0 214.353 1.389 10 0 BDAERP CCC[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000400356860 528155668 /nfs/dbraw/zinc/15/56/68/528155668.db2.gz AUJHEZJGOHKVQF-IJLUTSLNSA-N 2 0 214.353 1.389 10 0 BDAERP CCCCOCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400402366 528611368 /nfs/dbraw/zinc/61/13/68/528611368.db2.gz QPRSCIAOSCXQGS-RYUDHWBXSA-N 2 0 214.353 1.391 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591213 529083175 /nfs/dbraw/zinc/08/31/75/529083175.db2.gz UJRHMRDPKHDCKR-JHJVBQTASA-N 2 0 225.380 1.058 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400335881 529091977 /nfs/dbraw/zinc/09/19/77/529091977.db2.gz ABUVVNMSMIYJJS-RWMBFGLXSA-N 2 0 225.380 1.201 10 0 BDAERP CCC(CC)[C@@H](CN[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000086725775 535110497 /nfs/dbraw/zinc/11/04/97/535110497.db2.gz HQHAFAHFULLHCM-QWHCGFSZSA-N 2 0 227.396 1.304 10 0 BDAERP CC1(CO)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000334320500 535161885 /nfs/dbraw/zinc/16/18/85/535161885.db2.gz ZWEVJGBYKLNXPR-LBPRGKRZSA-N 2 0 226.364 1.080 10 0 BDAERP C[NH+](C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253279804 535833490 /nfs/dbraw/zinc/83/34/90/535833490.db2.gz KENJWOQUIHBSQR-MCIONIFRSA-N 2 0 240.391 1.564 10 0 BDAERP CC[C@H](COC)[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222739053 536122545 /nfs/dbraw/zinc/12/25/45/536122545.db2.gz OZHSPGSYONHBHC-GRYCIOLGSA-N 2 0 214.353 1.484 10 0 BDAERP C[C@H]1C[C@@H]1[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757124130 582499650 /nfs/dbraw/zinc/49/96/50/582499650.db2.gz BYFROMSCBQYATD-CYDGBPFRSA-N 2 0 208.349 1.859 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757134875 582513343 /nfs/dbraw/zinc/51/33/43/582513343.db2.gz XFELTDUEADGMFW-MGPQQGTHSA-N 2 0 240.391 1.875 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757141725 582522466 /nfs/dbraw/zinc/52/24/66/582522466.db2.gz PTPNSSSDXYCCHS-LLVKDONJSA-N 2 0 226.364 1.833 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757144818 582525956 /nfs/dbraw/zinc/52/59/56/582525956.db2.gz HKDIOCAKZUUGMZ-LLVKDONJSA-N 2 0 226.364 1.690 10 0 BDAERP C[C@H]1[NH2+]C2(CC[NH+](C)CC2)OCC12CC2 ZINC000757147656 582531286 /nfs/dbraw/zinc/53/12/86/582531286.db2.gz SNKJDXVGVXCKEQ-SNVBAGLBSA-N 2 0 210.321 1.197 10 0 BDAERP C[C@@H]1C[C@H](c2ccc(C[NH3+])cc2)NC[C@@H]1[NH3+] ZINC000757206582 586437295 /nfs/dbraw/zinc/43/72/95/586437295.db2.gz AFUKMPHIORNNIF-JIMOISOXSA-N 3 0 219.332 1.143 10 0 BDAERP Nc1cccc([C@H]2CC[C@H](CC[NH3+])C[NH2+]2)c1 ZINC000757211155 586437322 /nfs/dbraw/zinc/43/73/22/586437322.db2.gz GLAPAZJLZXFMLC-ZWNOBZJWSA-N 2 0 219.332 1.658 10 0 BDAERP NC[C@H]1CC[C@H](c2cccc(C=O)c2)C[NH2+]1 ZINC000757210997 586437473 /nfs/dbraw/zinc/43/74/73/586437473.db2.gz FFFJNVOMLVBTQG-QWHCGFSZSA-N 2 0 218.300 1.293 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CN[C@H]1c1cccc(C[NH3+])c1 ZINC000757211909 586438764 /nfs/dbraw/zinc/43/87/64/586438764.db2.gz JIYGSWHVHBPIDH-OASPWFOLSA-N 2 0 219.332 1.143 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757210880 586438802 /nfs/dbraw/zinc/43/88/02/586438802.db2.gz HMRPGDSMKINLJG-IDTSFGKNSA-N 3 0 247.386 1.779 10 0 BDAERP C[C@@H]1C[C@H]([NH3+])CN[C@@H]1c1cccc(C[NH3+])c1 ZINC000757211900 586439070 /nfs/dbraw/zinc/43/90/70/586439070.db2.gz JIYGSWHVHBPIDH-ICCXJUOJSA-N 2 0 219.332 1.143 10 0 BDAERP [NH3+]CC[C@H]1CC[C@H](C2CCOCC2)[NH2+]C1 ZINC000757212112 586439125 /nfs/dbraw/zinc/43/91/25/586439125.db2.gz LRPHJNBSTHMUKG-ZYHUDNBSSA-N 2 0 212.337 1.130 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](C2CCOCC2)[NH2+]1 ZINC000757213221 586439579 /nfs/dbraw/zinc/43/95/79/586439579.db2.gz OZLDGWDVNYEERS-JLLWLGSASA-N 2 0 212.337 1.128 10 0 BDAERP C[C@@H]1C[C@@H](c2cccc(C[NH3+])c2)NC[C@H]1[NH3+] ZINC000757212891 586439609 /nfs/dbraw/zinc/43/96/09/586439609.db2.gz KBIVQXCNRHYYNX-WQAKAFBOSA-N 2 0 219.332 1.143 10 0 BDAERP C[C@H]1C[NH2+]CC[C@H]1c1cccc(C[NH3+])c1 ZINC000757217674 586441625 /nfs/dbraw/zinc/44/16/25/586441625.db2.gz RXMXFRJMEWWYRU-GXFFZTMASA-N 2 0 204.317 1.858 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@@H]1c1cccc(C[NH3+])c1 ZINC000757217676 586441693 /nfs/dbraw/zinc/44/16/93/586441693.db2.gz RXMXFRJMEWWYRU-MFKMUULPSA-N 2 0 204.317 1.858 10 0 BDAERP CC(=O)c1cccc([C@H]2C[NH2+]CC[C@@H]2[NH3+])c1 ZINC000757219044 586442464 /nfs/dbraw/zinc/44/24/64/586442464.db2.gz XSZUJEUUVVCCQC-OLZOCXBDSA-N 2 0 218.300 1.293 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1C[C@@H](C[NH3+])CC[NH2+]1 ZINC000757229988 586443052 /nfs/dbraw/zinc/44/30/52/586443052.db2.gz FOWFQVYDLAWVCW-GWCFXTLKSA-N 2 0 219.332 1.577 10 0 BDAERP [NH3+]Cc1cc([C@H]2NCCC[C@H]2[NH3+])ccc1C1CC1 ZINC000757231393 586443268 /nfs/dbraw/zinc/44/32/68/586443268.db2.gz HRTBSQRFHITOCN-HUUCEWRRSA-N 2 0 245.370 1.775 10 0 BDAERP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000259152375 635246864 /nfs/dbraw/zinc/24/68/64/635246864.db2.gz VBYRHETXQCQNLS-GFCCVEGCSA-N 2 0 226.364 1.391 10 0 BDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC000227380391 635449097 /nfs/dbraw/zinc/44/90/97/635449097.db2.gz KBSJSDHRFFPHAW-BFHYXJOUSA-N 2 0 237.391 1.284 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCCCO)C[C@H]12 ZINC000309363563 632023785 /nfs/dbraw/zinc/02/37/85/632023785.db2.gz PCIKXUCJLVZGJF-FRRDWIJNSA-N 2 0 226.364 1.208 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]12 ZINC000311052926 633059566 /nfs/dbraw/zinc/05/95/66/633059566.db2.gz HAYKUDNVFPCCQY-LXTVHRRPSA-N 2 0 246.354 1.389 10 0 BDAERP CCCC[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000053487616 634209127 /nfs/dbraw/zinc/20/91/27/634209127.db2.gz WNVHZAPPYPCKIU-ZDUSSCGKSA-N 2 0 227.396 1.402 10 0 BDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000054242728 636240723 /nfs/dbraw/zinc/24/07/23/636240723.db2.gz AAVLVDQCFWNDDD-CHWSQXEVSA-N 2 0 226.364 1.221 10 0 BDAERP [NH3+][C@@H](CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000669372596 636549631 /nfs/dbraw/zinc/54/96/31/636549631.db2.gz UJSVKIRFCWJBTC-KBPBESRZSA-N 2 0 218.344 1.946 10 0 BDAERP C([C@H]1CCCO1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199681 641144669 /nfs/dbraw/zinc/14/46/69/641144669.db2.gz AORMNVSPYMSFLU-KGLIPLIRSA-N 2 0 238.375 1.629 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233513740 642677055 /nfs/dbraw/zinc/67/70/55/642677055.db2.gz RQYWRGYHIDOGCV-RDBSUJKOSA-N 2 0 239.407 1.258 10 0 BDAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000069626382 642885800 /nfs/dbraw/zinc/88/58/00/642885800.db2.gz YEZDWDXWFKPXBS-NEPJUHHUSA-N 2 0 212.337 1.226 10 0 BDAERP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000082475011 643510410 /nfs/dbraw/zinc/51/04/10/643510410.db2.gz AIQJTXZIMMJQMS-ZYHUDNBSSA-N 2 0 212.337 1.225 10 0 BDAERP COC[C@H](C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1)C(C)C ZINC000721909654 711814571 /nfs/dbraw/zinc/81/45/71/711814571.db2.gz AZZFHHYXGUPTRB-SDDRHHMPSA-N 2 0 214.353 1.184 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+]C2CC([NH+](C)C)C2)C12CCC2 ZINC000701483225 712024517 /nfs/dbraw/zinc/02/45/17/712024517.db2.gz OSKOLFBQUSDPAV-IFWUJCSASA-N 2 0 238.375 1.626 10 0 BDAERP C[C@@H]1C[N@H+](CCCC(C)(F)F)C[C@@H]1C[NH3+] ZINC000718608714 712773308 /nfs/dbraw/zinc/77/33/08/712773308.db2.gz PWFRBWCFHIJPEH-ZJUUUORDSA-N 2 0 220.307 1.948 10 0 BDAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000723138015 710726089 /nfs/dbraw/zinc/72/60/89/710726089.db2.gz JEFOLBDHDYEKJH-YVECIDJPSA-N 2 0 226.364 1.471 10 0 BDAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000723138010 710725801 /nfs/dbraw/zinc/72/58/01/710725801.db2.gz JEFOLBDHDYEKJH-VOAKCMCISA-N 2 0 226.364 1.471 10 0 BDAERP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCOC1 ZINC000723990351 711551563 /nfs/dbraw/zinc/55/15/63/711551563.db2.gz ZGTKYPVGSDMWCL-MJBXVCDLSA-N 2 0 240.391 1.923 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000722316265 711734919 /nfs/dbraw/zinc/73/49/19/711734919.db2.gz OGRMDCWCLBEULQ-PQAZSJQKSA-N 2 0 238.375 1.804 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000722316860 711735186 /nfs/dbraw/zinc/73/51/86/711735186.db2.gz UXSXKJJUCIBWFP-MCIONIFRSA-N 2 0 238.375 1.676 10 0 BDAERP COC[C@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000721966223 711845512 /nfs/dbraw/zinc/84/55/12/711845512.db2.gz TVEGCTRRNHMGDE-KBPBESRZSA-N 2 0 242.407 1.979 10 0 BDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1)[NH2+]2 ZINC000709282375 712219016 /nfs/dbraw/zinc/21/90/16/712219016.db2.gz BSUKLVOXDUDDJS-WCQYUDONSA-N 2 0 238.375 1.409 10 0 BDAERP C[NH+](C)C1(C)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000709852025 712229763 /nfs/dbraw/zinc/22/97/63/712229763.db2.gz LYYYIWORARHSQJ-VXGBXAGGSA-N 2 0 226.364 1.316 10 0 BDAERP C[C@@H]([NH2+]CCc1ccns1)[C@@H]1CC[NH2+]C1 ZINC000709967899 712235714 /nfs/dbraw/zinc/23/57/14/712235714.db2.gz RLBXBHNVTNVDGQ-NXEZZACHSA-N 2 0 225.361 1.273 10 0 BDAERP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)OC1 ZINC000711390894 712297166 /nfs/dbraw/zinc/29/71/66/712297166.db2.gz PGSBJAPKXVVFAR-CHWSQXEVSA-N 2 0 240.391 1.923 10 0 BDAERP C[C@H]([NH2+]C[C@H]1C=CCC1)[C@H]1CCC[NH2+]C1 ZINC000711758196 712323946 /nfs/dbraw/zinc/32/39/46/712323946.db2.gz GLAPYRQRQWPAOT-AVGNSLFASA-N 2 0 208.349 1.930 10 0 BDAERP COCC1CC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000713972522 712475620 /nfs/dbraw/zinc/47/56/20/712475620.db2.gz JTDQPKLYTHARNU-KIDURHIOSA-N 2 0 224.348 1.271 10 0 BDAERP CO[C@H]1C[C@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000714639960 712494845 /nfs/dbraw/zinc/49/48/45/712494845.db2.gz JXSCNSVDUKJACO-RVMXOQNASA-N 2 0 226.364 1.389 10 0 BDAERP COC1CC(CN2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000715015290 712503798 /nfs/dbraw/zinc/50/37/98/712503798.db2.gz IDAZITTZEBENCT-GNRIBBGQSA-N 2 0 238.375 1.485 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715391232 712522254 /nfs/dbraw/zinc/52/22/54/712522254.db2.gz DKCRZJWMJRFSFD-SAXRGWBVSA-N 2 0 238.375 1.471 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCSC2 ZINC000685955276 538900500 /nfs/dbraw/zinc/90/05/00/538900500.db2.gz XBOXELUUXRIFIF-ZJUUUORDSA-N 2 0 200.351 1.305 10 0 BDAERP CC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955185 538900849 /nfs/dbraw/zinc/90/08/49/538900849.db2.gz VRJQPRHZDHCKMB-USZNOCQGSA-N 2 0 212.337 1.366 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@]12CCSC2 ZINC000685955272 538900960 /nfs/dbraw/zinc/90/09/60/538900960.db2.gz XBOXELUUXRIFIF-NXEZZACHSA-N 2 0 200.351 1.305 10 0 BDAERP [NH3+]CCN1CCCC[C@H]1c1ccccc1CO ZINC000616611865 349473525 /nfs/dbraw/zinc/47/35/25/349473525.db2.gz VUZNRMKNQICFNC-AWEZNQCLSA-N 2 0 234.343 1.665 10 0 BDAERP Cc1cc([C@H](C)[NH3+])ccc1OCC[NH+](C)C ZINC000041241508 178244197 /nfs/dbraw/zinc/24/41/97/178244197.db2.gz XTNUYDYAQIQYPC-NSHDSACASA-N 2 0 222.332 1.955 10 0 BDAERP C[C@@H]([NH2+]CCCCF)[C@H]1CCC[NH2+]C1 ZINC000566088832 398253394 /nfs/dbraw/zinc/25/33/94/398253394.db2.gz VMYWBYMRGGJKEZ-MNOVXSKESA-N 2 0 202.317 1.714 10 0 BDAERP CCC(CC)NC(=O)[C@@H](C)N(CC)CCC[NH3+] ZINC000036731819 168380846 /nfs/dbraw/zinc/38/08/46/168380846.db2.gz KURDVKRNEMROPW-LLVKDONJSA-N 2 0 243.395 1.350 10 0 BDAERP C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000037164003 538961800 /nfs/dbraw/zinc/96/18/00/538961800.db2.gz UZXBQTUUOKYWPO-UBHSHLNASA-N 2 0 240.391 1.610 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000306649599 361844808 /nfs/dbraw/zinc/84/48/08/361844808.db2.gz BQRVXGVMVJYALF-VIFPVBQESA-N 2 0 247.111 1.937 10 0 BDAERP COC1(c2ccccc2)CC[NH+](CCC[NH3+])CC1 ZINC000138188927 342786565 /nfs/dbraw/zinc/78/65/65/342786565.db2.gz LQSJZCFASMUIKM-UHFFFAOYSA-N 2 0 248.370 1.973 10 0 BDAERP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000185223782 538970375 /nfs/dbraw/zinc/97/03/75/538970375.db2.gz BTVFETGANIYEAW-CYBMUJFWSA-N 2 0 245.330 1.579 10 0 BDAERP C[NH+](C)[C@H]1CCC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000335517353 398290091 /nfs/dbraw/zinc/29/00/91/398290091.db2.gz JSVMOFIFOKYWDK-OLZOCXBDSA-N 2 0 225.380 1.201 10 0 BDAERP CCN1C[C@H]([NH2+]C2CC(OC)C2)[C@@H](C)C1 ZINC000379948206 538982162 /nfs/dbraw/zinc/98/21/62/538982162.db2.gz RVHQSAAZNXSOJS-XKGSQUFQSA-N 2 0 212.337 1.094 10 0 BDAERP C[C@@H]([NH3+])[C@H](C)C[N@@H+]1CCOC(C)(C)C1 ZINC000165022594 342869711 /nfs/dbraw/zinc/86/97/11/342869711.db2.gz RKEBDHCDYVMUDJ-NXEZZACHSA-N 2 0 200.326 1.081 10 0 BDAERP [NH3+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000042432737 343437334 /nfs/dbraw/zinc/43/73/34/343437334.db2.gz WNQZZIGYKMXIFT-CYBMUJFWSA-N 2 0 220.316 1.102 10 0 BDAERP CC(F)(F)[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000409425726 343820175 /nfs/dbraw/zinc/82/01/75/343820175.db2.gz GPYJJQFXEORTOW-SECBINFHSA-N 2 0 206.280 1.702 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@H](CO)[C@@H](c2ccccc2)C1 ZINC000409435974 343836943 /nfs/dbraw/zinc/83/69/43/343836943.db2.gz XMZWHHLUMFVWQA-ZIAGYGMSSA-N 2 0 234.343 1.043 10 0 BDAERP CS[C@H]1CCC[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000235222624 343870251 /nfs/dbraw/zinc/87/02/51/343870251.db2.gz XQUJUONLZGFRQJ-MNOVXSKESA-N 2 0 214.378 1.694 10 0 BDAERP C[C@@H](CC[NH3+])[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069908133 343944392 /nfs/dbraw/zinc/94/43/92/343944392.db2.gz BIFJZLQQNHZCBM-IVZWLZJFSA-N 2 0 202.367 1.550 10 0 BDAERP Cc1[nH+]ccc(N2C[C@H]([NH3+])C[C@@H]2C)c1Cl ZINC000385025954 344300445 /nfs/dbraw/zinc/30/04/45/344300445.db2.gz YUACTZTXMNQLEC-IONNQARKSA-N 2 0 225.723 1.969 10 0 BDAERP C[NH+]1CCC(COc2cc(C[NH3+])ccn2)CC1 ZINC000113816560 344676714 /nfs/dbraw/zinc/67/67/14/344676714.db2.gz IFIQWTXWGGBKSY-UHFFFAOYSA-N 2 0 235.331 1.261 10 0 BDAERP CC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000309464158 347069425 /nfs/dbraw/zinc/06/94/25/347069425.db2.gz 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C[C@H]1SCC[C@H]1[N@H+](C)C1CC([NH3+])C1 ZINC000307245276 351753193 /nfs/dbraw/zinc/75/31/93/351753193.db2.gz MBGQGVJQQGZIQM-SEZDTBSWSA-N 2 0 200.351 1.302 10 0 BDAERP CS[C@@H]1CC[N@H+](C[C@H]2C=C[C@H]([NH3+])C2)C1 ZINC000307254132 351788496 /nfs/dbraw/zinc/78/84/96/351788496.db2.gz WYTSJXAOXYVPJW-GARJFASQSA-N 2 0 212.362 1.327 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cncc(Br)c1 ZINC000307259927 351799709 /nfs/dbraw/zinc/79/97/09/351799709.db2.gz LHTHHDQSYZDRBK-MRVPVSSYSA-N 2 0 230.109 1.193 10 0 BDAERP C[C@@H]1CCC[N@@H+]1CC[C@H]1CSCC[NH2+]1 ZINC000252153514 363179445 /nfs/dbraw/zinc/17/94/45/363179445.db2.gz MWOUROAPROBJBG-MNOVXSKESA-N 2 0 214.378 1.566 10 0 BDAERP C[NH2+]CC[C@@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000725270305 538102680 /nfs/dbraw/zinc/10/26/80/538102680.db2.gz FUAQASUEJXLNQT-MRVPVSSYSA-N 2 0 232.249 1.583 10 0 BDAERP CC(C)[C@@H](CCO)[NH2+]CCC[NH+]1CCCC1 ZINC000227012560 535181514 /nfs/dbraw/zinc/18/15/14/535181514.db2.gz QCFROPILPPOYCF-CYBMUJFWSA-N 2 0 228.380 1.469 10 0 BDAERP 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YCZXUILTYDVNLO-KGLIPLIRSA-N 2 0 242.407 1.987 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223182973 353319226 /nfs/dbraw/zinc/31/92/26/353319226.db2.gz RSFROWGUWKGZOW-OPRDCNLKSA-N 2 0 200.351 1.304 10 0 BDAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H]2C)o1 ZINC000052375734 188332515 /nfs/dbraw/zinc/33/25/15/188332515.db2.gz DMIWXSTUCPHGDL-JTQLQIEISA-N 2 0 208.305 1.983 10 0 BDAERP [NH3+]CCCc1cnn(-c2cc[nH+]cc2)c1 ZINC000054680350 188354930 /nfs/dbraw/zinc/35/49/30/188354930.db2.gz OZCZDMWBXBMMAV-UHFFFAOYSA-N 2 0 202.261 1.159 10 0 BDAERP COc1ccc([C@@H]2C[NH2+]CC[C@H]2[NH3+])cc1 ZINC000211544420 353719996 /nfs/dbraw/zinc/71/99/96/353719996.db2.gz OJFLHQIKOUJJIH-NWDGAFQWSA-N 2 0 206.289 1.099 10 0 BDAERP C/C(=C/Cl)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308115865 354016965 /nfs/dbraw/zinc/01/69/65/354016965.db2.gz YJARHYXZPIUHBV-CGVAOTHFSA-N 2 0 200.713 1.280 10 0 BDAERP NC(=[NH2+])CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062031936 181186978 /nfs/dbraw/zinc/18/69/78/181186978.db2.gz XBXBTCIEZGOZOM-UHFFFAOYSA-N 3 0 238.379 1.120 10 0 BDAERP C[C@]1(NC(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC000405975136 355515823 /nfs/dbraw/zinc/51/58/23/355515823.db2.gz BEUUURVEGHWHJZ-ZDUSSCGKSA-N 2 0 232.331 1.134 10 0 BDAERP CC(C)[NH+](C[C@@H]1CC[C@H](C[NH3+])O1)C(C)C ZINC000675058979 538482447 /nfs/dbraw/zinc/48/24/47/538482447.db2.gz FFLUKAJUBNIEGT-NEPJUHHUSA-N 2 0 214.353 1.612 10 0 BDAERP CC(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675078858 538515862 /nfs/dbraw/zinc/51/58/62/538515862.db2.gz AJHMDMGYRQQVBY-GHMZBOCLSA-N 2 0 212.337 1.128 10 0 BDAERP CCC(CC)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080458 538520343 /nfs/dbraw/zinc/52/03/43/538520343.db2.gz QOGPJSBYGDPRGH-VXGBXAGGSA-N 2 0 226.364 1.661 10 0 BDAERP CN1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678024 538599815 /nfs/dbraw/zinc/59/98/15/538599815.db2.gz ZJVVRGSFPXIAPB-AGUYFDCRSA-N 2 0 237.391 1.155 10 0 BDAERP [NH3+]Cc1cncc(C[NH+]2CCCCC2)c1 ZINC000257886653 538771823 /nfs/dbraw/zinc/77/18/23/538771823.db2.gz STESDCSPZDWKGY-UHFFFAOYSA-N 2 0 205.305 1.526 10 0 BDAERP Cc1cc[nH+]c(NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000389873529 357058368 /nfs/dbraw/zinc/05/83/68/357058368.db2.gz CRHSVXCXDQLDIZ-NSHDSACASA-N 2 0 221.304 1.180 10 0 BDAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000160582666 357089871 /nfs/dbraw/zinc/08/98/71/357089871.db2.gz PMEOMYDYBCTODR-IVZWLZJFSA-N 2 0 200.351 1.161 10 0 BDAERP CO[C@@H]1CCC[N@@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951388 538894714 /nfs/dbraw/zinc/89/47/14/538894714.db2.gz RUUZHICKVWVEAJ-SDDRHHMPSA-N 2 0 226.364 1.341 10 0 BDAERP CCOC(=O)CCCCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233974566 357764158 /nfs/dbraw/zinc/76/41/58/357764158.db2.gz LGYZXKGNQJGXRM-RYUDHWBXSA-N 2 0 242.363 1.389 10 0 BDAERP CCOC(=O)CCCCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233974337 357764322 /nfs/dbraw/zinc/76/43/22/357764322.db2.gz LGYZXKGNQJGXRM-NEPJUHHUSA-N 2 0 242.363 1.389 10 0 BDAERP C(C[NH2+][C@@H]1CCC[NH2+]CC1)COCC1CC1 ZINC000168711997 134246694 /nfs/dbraw/zinc/24/66/94/134246694.db2.gz VCMOAYLWMCZOFK-CYBMUJFWSA-N 2 0 226.364 1.535 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH+]2CCC(F)(F)CC2)CC1 ZINC000584600418 358257148 /nfs/dbraw/zinc/25/71/48/358257148.db2.gz MFVQJGXJFHMZKV-MGCOHNPYSA-N 2 0 218.291 1.987 10 0 BDAERP C[C@H]([NH3+])CC[N@@H+]1CCSC(C)(C)CC1 ZINC000231052048 358578843 /nfs/dbraw/zinc/57/88/43/358578843.db2.gz KGPUPMGVMXMBEY-JTQLQIEISA-N 2 0 216.394 1.941 10 0 BDAERP CC(C)[N@H+](C)C[C@@H]1COC(C)(C)[C@H]1[NH3+] ZINC000306248677 359445851 /nfs/dbraw/zinc/44/58/51/359445851.db2.gz XQUAPWNUMWQDMK-ZJUUUORDSA-N 2 0 200.326 1.079 10 0 BDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1(O)C1C[NH2+]C1 ZINC000306398797 359766405 /nfs/dbraw/zinc/76/64/05/359766405.db2.gz MOJSAPUHJFRHIC-WFASDCNBSA-N 2 0 246.354 1.231 10 0 BDAERP C[C@H]1CSCC[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC000069761863 360421505 /nfs/dbraw/zinc/42/15/05/360421505.db2.gz VQSPBDVAJFBPSG-WDEREUQCSA-N 2 0 214.378 1.566 10 0 BDAERP CC(C)([NH3+])CN1CCS[C@H]2CCC[C@@H]21 ZINC000306554416 360427786 /nfs/dbraw/zinc/42/77/86/360427786.db2.gz BTNOIGCKTSZLBZ-UWVGGRQHSA-N 2 0 214.378 1.694 10 0 BDAERP C[C@H]1CS[C@@](C)(C2CC[NH2+]CC2)[NH2+]1 ZINC000306583974 360483736 /nfs/dbraw/zinc/48/37/36/360483736.db2.gz RKPDKGIEYJSUPA-WPRPVWTQSA-N 2 0 200.351 1.427 10 0 BDAERP O[C@]1([C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306599393 360520856 /nfs/dbraw/zinc/52/08/56/360520856.db2.gz YMVQPRCIHLYPPQ-HUUCEWRRSA-N 2 0 246.354 1.375 10 0 BDAERP FC1(F)C[C@@H]1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000622044061 370675869 /nfs/dbraw/zinc/67/58/69/370675869.db2.gz SZXRTCIOKAMTFO-UWVGGRQHSA-N 2 0 218.291 1.763 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000622043920 370676055 /nfs/dbraw/zinc/67/60/55/370676055.db2.gz POITXPGZUXGCTG-GUBZILKMSA-N 2 0 218.291 1.619 10 0 BDAERP [NH3+]C1(C[NH2+]C[C@@H]2CCCO2)CCCCC1 ZINC000040410413 181332839 /nfs/dbraw/zinc/33/28/39/181332839.db2.gz AXVVBNJQPZQYBH-NSHDSACASA-N 2 0 212.337 1.417 10 0 BDAERP [NH3+]C1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000076645900 181345079 /nfs/dbraw/zinc/34/50/79/181345079.db2.gz JXFZQEODLRGYFG-CHWSQXEVSA-N 2 0 216.328 1.856 10 0 BDAERP CO[C@@H]1CN(Cc2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630359663 364079701 /nfs/dbraw/zinc/07/97/01/364079701.db2.gz DHYBNUQUHXBHBD-QWHCGFSZSA-N 2 0 235.331 1.020 10 0 BDAERP CO[C@H]1C[N@H+](CC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630365889 364083723 /nfs/dbraw/zinc/08/37/23/364083723.db2.gz WQTXSQJQBQMOJH-VXGBXAGGSA-N 2 0 212.337 1.225 10 0 BDAERP CO[C@@H]1C[N@H+](CC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630365887 364083737 /nfs/dbraw/zinc/08/37/37/364083737.db2.gz WQTXSQJQBQMOJH-NWDGAFQWSA-N 2 0 212.337 1.225 10 0 BDAERP [NH3+]CC(C[NH3+])c1ccccc1Br ZINC000071533887 181357405 /nfs/dbraw/zinc/35/74/05/181357405.db2.gz GDZOVKSVKPNBTH-UHFFFAOYSA-N 2 0 229.121 1.450 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630554993 364253259 /nfs/dbraw/zinc/25/32/59/364253259.db2.gz XULAMVXFESMXAM-GHMZBOCLSA-N 2 0 205.305 1.421 10 0 BDAERP [NH3+]CCC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000042427592 181371208 /nfs/dbraw/zinc/37/12/08/181371208.db2.gz NAJQENIFHBZJIU-GFCCVEGCSA-N 2 0 212.337 1.226 10 0 BDAERP [NH3+]CCCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000033605101 181382551 /nfs/dbraw/zinc/38/25/51/181382551.db2.gz KXYFFNDOPAVXHZ-UHFFFAOYSA-N 2 0 247.386 1.589 10 0 BDAERP [NH3+]CCCNC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000022130263 181382893 /nfs/dbraw/zinc/38/28/93/181382893.db2.gz NQHIUYWZQHNXMV-QWHCGFSZSA-N 2 0 225.380 1.189 10 0 BDAERP CS[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000575914814 365412368 /nfs/dbraw/zinc/41/23/68/365412368.db2.gz FUADHCPNZPHRPK-MXWKQRLJSA-N 2 0 216.394 1.716 10 0 BDAERP CC[C@@H]1[C@H](C)CCN1Cc1noc(CN)n1 ZINC000384019326 367668123 /nfs/dbraw/zinc/66/81/23/367668123.db2.gz RGTFAFJYDWGFFC-RKDXNWHRSA-N 2 0 224.308 1.149 10 0 BDAERP OC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000385975954 367892539 /nfs/dbraw/zinc/89/25/39/367892539.db2.gz HKALCONKCSKFIY-OLZOCXBDSA-N 2 0 226.364 1.269 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)[C@H]1C ZINC000386015763 367897451 /nfs/dbraw/zinc/89/74/51/367897451.db2.gz VALUPAQEISWILU-RQJABVFESA-N 2 0 240.391 1.467 10 0 BDAERP C[C@H](C[N@@H+]1CCS[C@H](C)[C@H]1C)C(N)=[NH2+] ZINC000253080387 368472778 /nfs/dbraw/zinc/47/27/78/368472778.db2.gz VKMLZBJAIIZLSM-IWSPIJDZSA-N 2 0 215.366 1.384 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631837767 369101727 /nfs/dbraw/zinc/10/17/27/369101727.db2.gz WRMIZCRVWIEOLT-GRYCIOLGSA-N 2 0 212.337 1.082 10 0 BDAERP C[C@H]([NH3+])C[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000133223382 372009159 /nfs/dbraw/zinc/00/91/59/372009159.db2.gz GCWLIGABENQVFP-XWLWVQCSSA-N 2 0 200.326 1.221 10 0 BDAERP C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1C[NH3+] ZINC000631838269 372631327 /nfs/dbraw/zinc/63/13/27/372631327.db2.gz LIUJMOWURSBIFE-KGLIPLIRSA-N 2 0 239.407 1.389 10 0 BDAERP C[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000631839068 372633908 /nfs/dbraw/zinc/63/39/08/372633908.db2.gz ZKLOXPIAMNSWPL-JQWIXIFHSA-N 2 0 222.307 1.852 10 0 BDAERP COc1ccc([C@@H]([NH3+])Cn2ccnc2)cc1OC ZINC000038808827 372773564 /nfs/dbraw/zinc/77/35/64/372773564.db2.gz ZUJRGIHNKYQOKY-NSHDSACASA-N 2 0 247.298 1.600 10 0 BDAERP CC(C)[C@H](C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151268508 206063924 /nfs/dbraw/zinc/06/39/24/206063924.db2.gz FJKHTWHJHKEPAO-QWHCGFSZSA-N 2 0 228.380 1.467 10 0 BDAERP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCC1 ZINC000111393735 183030393 /nfs/dbraw/zinc/03/03/93/183030393.db2.gz KSMRUNUPRHCKHC-PBWFPOADSA-N 2 0 238.375 1.460 10 0 BDAERP CCCC[C@H](CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392016 169002152 /nfs/dbraw/zinc/00/21/52/169002152.db2.gz QNHSSAWLGZEJLI-CQSZACIVSA-N 2 0 241.423 1.778 10 0 BDAERP O[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128944306 183181109 /nfs/dbraw/zinc/18/11/09/183181109.db2.gz OFOYHEZLQGIHIM-KBPBESRZSA-N 2 0 234.343 1.452 10 0 BDAERP O[C@H]1CCCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000062072616 183231751 /nfs/dbraw/zinc/23/17/51/183231751.db2.gz SIGRSFDPSFXMQV-KGLIPLIRSA-N 2 0 240.391 1.756 10 0 BDAERP CCC[N@H+](CC(=O)NC)Cc1ccccc1C[NH3+] ZINC000042404185 169095432 /nfs/dbraw/zinc/09/54/32/169095432.db2.gz BXEUEWWGDBBOCC-UHFFFAOYSA-N 2 0 249.358 1.103 10 0 BDAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[C@@H]2C)CC1 ZINC000037910389 169186137 /nfs/dbraw/zinc/18/61/37/169186137.db2.gz PTICMQLPBWNGDV-ZDUSSCGKSA-N 2 0 239.407 1.674 10 0 BDAERP CCC[NH+]1CCN([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037157881 169205802 /nfs/dbraw/zinc/20/58/02/169205802.db2.gz HLDHSCJGRDNIPD-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP CCC[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC000036319882 169255551 /nfs/dbraw/zinc/25/55/51/169255551.db2.gz CGOXJPDBKFRZNN-UHFFFAOYSA-N 2 0 226.364 1.629 10 0 BDAERP CCC[NH2+]CCCC[N@@H+]1CCC[C@H]1CN(C)C ZINC000061654684 169256670 /nfs/dbraw/zinc/25/66/70/169256670.db2.gz UAZDMEBDFCIBLE-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]CC[C@H](C)N1CC[NH+](CCC)CC1 ZINC000052422113 169261490 /nfs/dbraw/zinc/26/14/90/169261490.db2.gz QTRVYGXDHHNYGT-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]C[C@@H]1CC[N@H+](CCCC[NH+](C)C)C1 ZINC000053034558 169262337 /nfs/dbraw/zinc/26/23/37/169262337.db2.gz JKPMTPRFDZPJKH-AWEZNQCLSA-N 3 0 241.423 1.650 10 0 BDAERP CCC[NH2+]C[C@@](C)(CCC)C[N@@H+]1CC[C@H](O)C1 ZINC000061711740 169263940 /nfs/dbraw/zinc/26/39/40/169263940.db2.gz FFDBZOGHHPOQTO-UONOGXRCSA-N 2 0 242.407 1.859 10 0 BDAERP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](CC)CCO ZINC000053858512 169282470 /nfs/dbraw/zinc/28/24/70/169282470.db2.gz ZBQPPKUBDOXSCS-UONOGXRCSA-N 2 0 242.407 1.859 10 0 BDAERP CCC[NH2+][C@@H]1CCN([C@@H]2CC[N@@H+]3CCC[C@H]23)C1 ZINC000049568634 169283271 /nfs/dbraw/zinc/28/32/71/169283271.db2.gz KBCUWPVQKAXOFX-MGPQQGTHSA-N 2 0 237.391 1.297 10 0 BDAERP CCC[C@@H](C)[NH2+]CCN1CC[N@H+](C)[C@H](CC)C1 ZINC000104137454 169369681 /nfs/dbraw/zinc/36/96/81/169369681.db2.gz WVAZXTUYFXVZFY-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029513 169389708 /nfs/dbraw/zinc/38/97/08/169389708.db2.gz LWUDOHZSLRQLON-NWDGAFQWSA-N 2 0 241.379 1.104 10 0 BDAERP c1ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC000068576375 383999662 /nfs/dbraw/zinc/99/96/62/383999662.db2.gz WMBIHXDBQAGHSA-CYBMUJFWSA-N 2 0 216.328 1.728 10 0 BDAERP CN1CCSC[C@@H]1c1ncc(C[NH3+])s1 ZINC000234332039 384058706 /nfs/dbraw/zinc/05/87/06/384058706.db2.gz KATCWZODLJJWET-MRVPVSSYSA-N 2 0 229.374 1.322 10 0 BDAERP [NH3+]C[C@@H]1CCCN(Cc2ccc(Cl)nn2)C1 ZINC000095072558 384343288 /nfs/dbraw/zinc/34/32/88/384343288.db2.gz INNGQLWKRJFHOS-VIFPVBQESA-N 2 0 240.738 1.301 10 0 BDAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])c1ccncc1 ZINC000011848790 384620814 /nfs/dbraw/zinc/62/08/14/384620814.db2.gz AWEQSZVYSOTVMW-CQSZACIVSA-N 2 0 244.342 1.493 10 0 BDAERP COc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000258946322 384950715 /nfs/dbraw/zinc/95/07/15/384950715.db2.gz QVQXRHXCGQSVJH-GFCCVEGCSA-N 2 0 220.316 1.394 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)C1CC1 ZINC000177244902 384928577 /nfs/dbraw/zinc/92/85/77/384928577.db2.gz KNORBRWBRRFRHH-WCQYABFASA-N 2 0 226.364 1.221 10 0 BDAERP COc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1F ZINC000258751133 384939203 /nfs/dbraw/zinc/93/92/03/384939203.db2.gz LZKNZMFYZXTVKO-SECBINFHSA-N 2 0 226.295 1.661 10 0 BDAERP [NH3+]C[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000044528081 385308514 /nfs/dbraw/zinc/30/85/14/385308514.db2.gz AUSQBAHHDALNEV-SNVBAGLBSA-N 2 0 214.378 1.553 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccccc1Br ZINC000259511464 385532860 /nfs/dbraw/zinc/53/28/60/385532860.db2.gz VEBSWYIQXYKBAW-SECBINFHSA-N 2 0 229.121 1.798 10 0 BDAERP Cc1cc(N2CCC(C)([NH3+])CC2)cc[nH+]1 ZINC000643028508 385523920 /nfs/dbraw/zinc/52/39/20/385523920.db2.gz LQRPWKUVOKBULG-UHFFFAOYSA-N 2 0 205.305 1.708 10 0 BDAERP CC[C@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)C ZINC000336681751 385636833 /nfs/dbraw/zinc/63/68/33/385636833.db2.gz DARVLRSGWONNOR-LBPRGKRZSA-N 2 0 230.396 1.979 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000647803747 385839350 /nfs/dbraw/zinc/83/93/50/385839350.db2.gz AMHLRWRHEPPBDX-FIQHERPVSA-N 2 0 228.405 1.858 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)C1(C2CC2)CCC1 ZINC000391469998 386330798 /nfs/dbraw/zinc/33/07/98/386330798.db2.gz KYVGIIYLUKOWIH-UHFFFAOYSA-N 2 0 208.349 1.908 10 0 BDAERP CCOCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000519540009 386485793 /nfs/dbraw/zinc/48/57/93/386485793.db2.gz UGLBNNVTULRRHX-STQMWFEESA-N 2 0 228.380 1.781 10 0 BDAERP C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccncc1 ZINC000396590362 386781996 /nfs/dbraw/zinc/78/19/96/386781996.db2.gz STTRIUWPSRRYKH-GMXVVIOVSA-N 2 0 219.332 1.873 10 0 BDAERP CC[N@H+](C)[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000302765625 386937400 /nfs/dbraw/zinc/93/74/00/386937400.db2.gz LKFVAVDGWRSSQO-GFCCVEGCSA-N 2 0 246.358 1.884 10 0 BDAERP COC(=O)c1ccccc1[C@@H]([NH3+])CCC[NH3+] ZINC000575438645 387131564 /nfs/dbraw/zinc/13/15/64/387131564.db2.gz MRPRGSTUACICRN-NSHDSACASA-N 2 0 222.288 1.212 10 0 BDAERP Cc1cc([C@H]([NH3+])CCCC[NH3+])ccc1O ZINC000575438147 387116841 /nfs/dbraw/zinc/11/68/41/387116841.db2.gz FYZXOMSWOJWWKC-LLVKDONJSA-N 2 0 208.305 1.829 10 0 BDAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(O)cc1F ZINC000575439360 387123589 /nfs/dbraw/zinc/12/35/89/387123589.db2.gz SNOGVSXGFUWIIB-NSHDSACASA-N 2 0 212.268 1.660 10 0 BDAERP COC(=O)c1cccc([C@@H]([NH3+])CCC[NH3+])c1 ZINC000575439317 387123764 /nfs/dbraw/zinc/12/37/64/387123764.db2.gz RNKOTEWYVHKBEZ-NSHDSACASA-N 2 0 222.288 1.212 10 0 BDAERP COc1cc([C@H]([NH3+])CCCC[NH3+])ccc1F ZINC000575440256 387128090 /nfs/dbraw/zinc/12/80/90/387128090.db2.gz XMIUDSJYGUEINR-LLVKDONJSA-N 2 0 226.295 1.963 10 0 BDAERP O[C@]1(C2C[NH2+]C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000306493010 387217152 /nfs/dbraw/zinc/21/71/52/387217152.db2.gz YKEMCNPFJJXPJU-OAHLLOKOSA-N 2 0 246.354 1.233 10 0 BDAERP CSC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400435432 387286042 /nfs/dbraw/zinc/28/60/42/387286042.db2.gz MPIYDFQOJMXQKF-LPEHRKFASA-N 2 0 202.367 1.326 10 0 BDAERP CC[C@H](C)[N@H+](C)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643464302 387361397 /nfs/dbraw/zinc/36/13/97/387361397.db2.gz UOJSQUIPFZRCNF-MELADBBJSA-N 2 0 241.423 1.694 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643473984 387487735 /nfs/dbraw/zinc/48/77/35/387487735.db2.gz JTXUPTGKAKPDSH-QEJZJMRPSA-N 2 0 248.370 1.698 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)C1C[NH2+]C1 ZINC000422717114 387631263 /nfs/dbraw/zinc/63/12/63/387631263.db2.gz OGIVESAQWRURFA-DGCLKSJQSA-N 2 0 227.396 1.160 10 0 BDAERP CC1(C)C[C@H]([NH2+]C2CSC2)CC[NH2+]1 ZINC000575549275 387646989 /nfs/dbraw/zinc/64/69/89/387646989.db2.gz JXLZARFOWNAYAH-MRVPVSSYSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@@H](CN[C@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129242851 387765905 /nfs/dbraw/zinc/76/59/05/387765905.db2.gz JTFSAXRPFLLPIT-KBPBESRZSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@@H]([NH2+]CCCOCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000643457830 387817879 /nfs/dbraw/zinc/81/78/79/387817879.db2.gz 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ZINC000400575617 533362310 /nfs/dbraw/zinc/36/23/10/533362310.db2.gz OUOBHBPGVQBXOK-NEPJUHHUSA-N 2 0 226.364 1.269 10 0 BDAERP C(C[NH2+][C@H]1CCC[NH2+]CC1)COCC1CC1 ZINC000168711911 533366618 /nfs/dbraw/zinc/36/66/18/533366618.db2.gz VCMOAYLWMCZOFK-ZDUSSCGKSA-N 2 0 226.364 1.535 10 0 BDAERP C[C@@H]([NH2+]CCCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400340499 533376566 /nfs/dbraw/zinc/37/65/66/533376566.db2.gz GNECFCXCXJXGQD-RKDXNWHRSA-N 2 0 224.270 1.917 10 0 BDAERP C[C@@H]([NH2+]CCOC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400515080 533398479 /nfs/dbraw/zinc/39/84/79/533398479.db2.gz KGTBDKLFZVKRSR-NEPJUHHUSA-N 2 0 226.364 1.533 10 0 BDAERP CSCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400446250 533572877 /nfs/dbraw/zinc/57/28/77/533572877.db2.gz POZRCNJARQLBKX-ZJUUUORDSA-N 2 0 202.367 1.327 10 0 BDAERP Cc1cccc(N2CC[NH+](C[C@@H](C)C[NH3+])CC2)c1 ZINC000011737180 132320484 /nfs/dbraw/zinc/32/04/84/132320484.db2.gz MDNNUVJEHUHSFS-AWEZNQCLSA-N 2 0 247.386 1.712 10 0 BDAERP C[NH2+]CCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000037611540 132344991 /nfs/dbraw/zinc/34/49/91/132344991.db2.gz KWZKYRVFOKAFAZ-UHFFFAOYSA-N 2 0 248.374 1.203 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167522607 134002440 /nfs/dbraw/zinc/00/24/40/134002440.db2.gz MRARUHCXXPXOHV-ZIAGYGMSSA-N 2 0 239.407 1.401 10 0 BDAERP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000178411532 134310124 /nfs/dbraw/zinc/31/01/24/134310124.db2.gz GCYXOIGVEQDUSM-JQWIXIFHSA-N 2 0 247.342 1.644 10 0 BDAERP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC3)CC[C@@H]21 ZINC000179586628 134321834 /nfs/dbraw/zinc/32/18/34/134321834.db2.gz DAHQLXBLVVDNQD-AAEUAGOBSA-N 2 0 208.349 1.955 10 0 BDAERP CCC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183870918 134356858 /nfs/dbraw/zinc/35/68/58/134356858.db2.gz ZFTHNAAVHMWNDL-WVMKXHBISA-N 2 0 226.364 1.362 10 0 BDAERP CCC[C@@H](CCO)C[NH2+]C1CCC([NH3+])CC1 ZINC000227432565 134380054 /nfs/dbraw/zinc/38/00/54/134380054.db2.gz PIWJQHOLHJHWAY-HIFPTAJRSA-N 2 0 228.380 1.645 10 0 BDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCO ZINC000086500703 135087427 /nfs/dbraw/zinc/08/74/27/135087427.db2.gz QBIBFCGVAPHWCB-VXGBXAGGSA-N 2 0 214.353 1.269 10 0 BDAERP CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000261590926 135231372 /nfs/dbraw/zinc/23/13/72/135231372.db2.gz UVZHJOORZWTQGQ-NWDGAFQWSA-N 2 0 226.364 1.615 10 0 BDAERP Cc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262110254 135279541 /nfs/dbraw/zinc/27/95/41/135279541.db2.gz KJEVTNVFLVAMKE-ZFWWWQNUSA-N 2 0 248.370 1.282 10 0 BDAERP CCC1(C)CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262133925 135280598 /nfs/dbraw/zinc/28/05/98/135280598.db2.gz OJKYZMWDFBABTP-RJZJGCCBSA-N 2 0 240.391 1.515 10 0 BDAERP CCC1CCC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263142403 135335337 /nfs/dbraw/zinc/33/53/37/135335337.db2.gz CLLOFFVUQYQCCC-POOIEITISA-N 2 0 226.364 1.125 10 0 BDAERP CC(C)C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263315535 135345843 /nfs/dbraw/zinc/34/58/43/135345843.db2.gz ZKGRMLJQJPBJRM-YIOUJQMASA-N 2 0 240.391 1.371 10 0 BDAERP C(C1CCOCC1)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299892949 135380856 /nfs/dbraw/zinc/38/08/56/135380856.db2.gz FYQDJCQDTVUZDS-OLZOCXBDSA-N 2 0 224.348 1.097 10 0 BDAERP CC(C)[N@@H+]1CC[C@H](N2CCC[C@H](C[NH3+])C2)C1 ZINC000045659845 167025450 /nfs/dbraw/zinc/02/54/50/167025450.db2.gz CIAZSSCRJXBTME-OLZOCXBDSA-N 2 0 225.380 1.140 10 0 BDAERP CC(C)[N@H+]1CCc2nc(C[C@@H](C)[NH3+])sc2C1 ZINC000054161021 167027494 /nfs/dbraw/zinc/02/74/94/167027494.db2.gz WVBYYHQOUOQVIE-SECBINFHSA-N 2 0 239.388 1.799 10 0 BDAERP CC(C)[NH2+]CCN1CCC(C[NH+](C)C)CC1 ZINC000042388739 167105016 /nfs/dbraw/zinc/10/50/16/167105016.db2.gz ZWBYEFCSTJPMQN-UHFFFAOYSA-N 2 0 227.396 1.258 10 0 BDAERP CC(C)OCC[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000062614061 167230745 /nfs/dbraw/zinc/23/07/45/167230745.db2.gz WZQCAJLJLWMIMZ-CYBMUJFWSA-N 2 0 228.380 1.731 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000396424343 410883214 /nfs/dbraw/zinc/88/32/14/410883214.db2.gz CAAOZUIBEUOVDB-IACUBPJLSA-N 2 0 239.407 1.434 10 0 BDAERP CC(C)C[NH2+]C[C@@]1(C[NH+]2CCCC2)CCOC1 ZINC000051208181 167006101 /nfs/dbraw/zinc/00/61/01/167006101.db2.gz UGANRJIBRWTFFN-CQSZACIVSA-N 2 0 240.391 1.735 10 0 BDAERP CC(C)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000119381951 167006240 /nfs/dbraw/zinc/00/62/40/167006240.db2.gz VTOOEKVVGOFTPZ-GFCCVEGCSA-N 2 0 214.353 1.079 10 0 BDAERP CC(C)C[NH2+]C[C@]1(C[NH+]2CCCC2)CCOC1 ZINC000051208178 167008318 /nfs/dbraw/zinc/00/83/18/167008318.db2.gz UGANRJIBRWTFFN-AWEZNQCLSA-N 2 0 240.391 1.735 10 0 BDAERP CC(C)[N@@H+]1CCc2nc([C@H](C)C[NH3+])sc2C1 ZINC000054158374 167027627 /nfs/dbraw/zinc/02/76/27/167027627.db2.gz VZEQVSXCNWLRNF-SECBINFHSA-N 2 0 239.388 1.972 10 0 BDAERP CC(C)[NH2+]C[C@H](O)C[NH+]1CCCCCC1 ZINC000001847086 167114896 /nfs/dbraw/zinc/11/48/96/167114896.db2.gz FWNWRFZEXUTZTD-LBPRGKRZSA-N 2 0 214.353 1.221 10 0 BDAERP CC(C)[NH2+]C[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000053031289 167115640 /nfs/dbraw/zinc/11/56/40/167115640.db2.gz VVNKFLMUDSXMJP-GFCCVEGCSA-N 2 0 226.364 1.485 10 0 BDAERP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000049260921 167237420 /nfs/dbraw/zinc/23/74/20/167237420.db2.gz STIGJBASBIYDDB-YOGCLGLASA-N 2 0 212.337 1.366 10 0 BDAERP CC(C)[C@@H](CNC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000038040775 167398548 /nfs/dbraw/zinc/39/85/48/167398548.db2.gz TVCIEMPXFFPASJ-CQSZACIVSA-N 2 0 239.407 1.448 10 0 BDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000400927024 411163868 /nfs/dbraw/zinc/16/38/68/411163868.db2.gz HQBNZOWPOCXKLO-MBJXGIAVSA-N 2 0 238.375 1.268 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401011007 411171117 /nfs/dbraw/zinc/17/11/17/411171117.db2.gz GWDROADIYATVAA-MELADBBJSA-N 2 0 248.374 1.169 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401011003 411171160 /nfs/dbraw/zinc/17/11/60/411171160.db2.gz GWDROADIYATVAA-BFHYXJOUSA-N 2 0 248.374 1.169 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401016722 411171897 /nfs/dbraw/zinc/17/18/97/411171897.db2.gz AMLKYTCBQDARMO-QCNOEVLYSA-N 2 0 240.416 1.858 10 0 BDAERP Cc1cc(N2CC3CC2(C[NH3+])C3)cc[nH+]1 ZINC000656610819 411308406 /nfs/dbraw/zinc/30/84/06/411308406.db2.gz LCNOJYGYZIVYSA-UHFFFAOYSA-N 2 0 203.289 1.318 10 0 BDAERP C[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000656781975 411358943 /nfs/dbraw/zinc/35/89/43/411358943.db2.gz BKQKIJRHCFRMMZ-OLZOCXBDSA-N 2 0 233.359 1.774 10 0 BDAERP CC1CCN(C2(C[NH3+])CC[NH+](C)CC2)CC1 ZINC000019486298 168177359 /nfs/dbraw/zinc/17/73/59/168177359.db2.gz ZZZBJRDCRUQJHD-UHFFFAOYSA-N 2 0 225.380 1.141 10 0 BDAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCO2)CC1 ZINC000037210349 169958069 /nfs/dbraw/zinc/95/80/69/169958069.db2.gz JSSPLNVWOHTYPU-GXTWGEPZSA-N 2 0 240.391 1.875 10 0 BDAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1C ZINC000657326638 411466271 /nfs/dbraw/zinc/46/62/71/411466271.db2.gz QSHTYJJVYTUNRM-PWSUYJOCSA-N 2 0 223.320 1.122 10 0 BDAERP CC[N@@H+]1CC[C@H](CNC2=[NH+][C@H](C)CS2)C1 ZINC000037484501 170015291 /nfs/dbraw/zinc/01/52/91/170015291.db2.gz FUTCQKGCFCKXMF-NXEZZACHSA-N 2 0 227.377 1.409 10 0 BDAERP CC[NH2+]C1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000037241471 170110002 /nfs/dbraw/zinc/11/00/02/170110002.db2.gz WVCXKOHPWHPFLP-CQSZACIVSA-N 2 0 237.391 1.155 10 0 BDAERP CC[NH2+]CC[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063124136 170117405 /nfs/dbraw/zinc/11/74/05/170117405.db2.gz GBPHZGHZPCTZOS-ZDUSSCGKSA-N 3 0 241.423 1.648 10 0 BDAERP CC[NH2+]C[C@@H](C)C(=O)NCCC[NH+](CC)CC ZINC000061227913 170119027 /nfs/dbraw/zinc/11/90/27/170119027.db2.gz OTQGHYUPUHLLBH-GFCCVEGCSA-N 2 0 243.395 1.080 10 0 BDAERP CC[NH2+]C[C@@H]1CCN([C@@H](C)C[NH+]2CCCC2)C1 ZINC000053031868 170119635 /nfs/dbraw/zinc/11/96/35/170119635.db2.gz UNKOYCMUCQBJIX-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+]C[C@@H]1CCCN1CCC[NH+]1CCCC1 ZINC000053648539 170119874 /nfs/dbraw/zinc/11/98/74/170119874.db2.gz MRAYBGPVWLNFJQ-AWEZNQCLSA-N 2 0 239.407 1.546 10 0 BDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2C[C@@H]2C)O1 ZINC000104423857 170123418 /nfs/dbraw/zinc/12/34/18/170123418.db2.gz SOOBHGPHHOCYQJ-FQUUOJAGSA-N 2 0 240.391 1.731 10 0 BDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)CC)nn1 ZINC000052444170 170129710 /nfs/dbraw/zinc/12/97/10/170129710.db2.gz BSBFNJAIEDCETJ-LLVKDONJSA-N 2 0 239.367 1.118 10 0 BDAERP CC[NH2+][C@@H](CC)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979270 170143960 /nfs/dbraw/zinc/14/39/60/170143960.db2.gz HTNTUAWRJACXNI-KBPBESRZSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH2+][C@H](C)CN1CC[N@H+](CC)[C@H](C)C1 ZINC000082477901 170157097 /nfs/dbraw/zinc/15/70/97/170157097.db2.gz AXPHKWIYYRJFMB-VXGBXAGGSA-N 2 0 213.369 1.010 10 0 BDAERP CC[NH2+][C@H](C)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079199 170158248 /nfs/dbraw/zinc/15/82/48/170158248.db2.gz HQBDNAVHWCVYEK-KGLIPLIRSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+][C@H](C)[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940536 170158547 /nfs/dbraw/zinc/15/85/47/170158547.db2.gz NLXKLYGMYQMCPH-HZSPNIEDSA-N 2 0 239.407 1.543 10 0 BDAERP CC[NH2+][C@H]1CCC[C@@H]1CN1CC[NH+](C)CC1 ZINC000053861532 170166895 /nfs/dbraw/zinc/16/68/95/170166895.db2.gz GFDHAQFTSVIIHI-OLZOCXBDSA-N 2 0 225.380 1.012 10 0 BDAERP CCOC1CC[NH+](CCC[NH2+]CCOC)CC1 ZINC000053499409 170331992 /nfs/dbraw/zinc/33/19/92/170331992.db2.gz YKUDGZFWMVHKEA-UHFFFAOYSA-N 2 0 244.379 1.113 10 0 BDAERP CCOC1CC[NH+](Cc2ccc(C[NH3+])o2)CC1 ZINC000052484004 170332422 /nfs/dbraw/zinc/33/24/22/170332422.db2.gz KOZRKOCSDHZDMD-UHFFFAOYSA-N 2 0 238.331 1.739 10 0 BDAERP CCOC1CC[NH+]([C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000040689240 170333060 /nfs/dbraw/zinc/33/30/60/170333060.db2.gz UKUHNCRJEZHEGZ-CHWSQXEVSA-N 2 0 226.364 1.757 10 0 BDAERP CC[C@@H]1CCN([C@@H]2CC[N@@H+]3CCC[C@H]23)CC[NH2+]1 ZINC000049662487 171013743 /nfs/dbraw/zinc/01/37/43/171013743.db2.gz XJBGXEOOTZXELM-MGPQQGTHSA-N 2 0 237.391 1.297 10 0 BDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCC(O)CC2)C1 ZINC000037157698 171056119 /nfs/dbraw/zinc/05/61/19/171056119.db2.gz GISKKBNYFPPSNG-YRGRVCCFSA-N 2 0 240.391 1.597 10 0 BDAERP CC[C@@]1(C[NH2+]CC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000062862896 171210327 /nfs/dbraw/zinc/21/03/27/171210327.db2.gz ZMWWEUIPXGMLMS-ZIAGYGMSSA-N 2 0 240.391 1.925 10 0 BDAERP CC[C@H](C)[N@H+](CCOC)C[C@H](O)C[NH2+]C(C)C ZINC000042580666 171315810 /nfs/dbraw/zinc/31/58/10/171315810.db2.gz JMPIVJIYDQFOLX-QWHCGFSZSA-N 2 0 246.395 1.092 10 0 BDAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000055066948 171318342 /nfs/dbraw/zinc/31/83/42/171318342.db2.gz OLOXTGROEGPVGC-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP CC[C@H](C)[NH+]1CCN(CC[C@@H]2CCC[NH2+]2)CC1 ZINC000055083416 171318835 /nfs/dbraw/zinc/31/88/35/171318835.db2.gz QRVYFEDJKMTHHB-KBPBESRZSA-N 2 0 239.407 1.545 10 0 BDAERP CC[C@H](C)[C@@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000042391920 171368616 /nfs/dbraw/zinc/36/86/16/171368616.db2.gz TULZJQWXSLQOKV-GXTWGEPZSA-N 2 0 241.423 1.633 10 0 BDAERP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH2+]CC1)OC ZINC000362977656 171368854 /nfs/dbraw/zinc/36/88/54/171368854.db2.gz SPSPJJPENRXGLV-CMPLNLGQSA-N 2 0 214.353 1.389 10 0 BDAERP CC[C@H](C[NH2+]C(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654701 171436356 /nfs/dbraw/zinc/43/63/56/171436356.db2.gz YASCTMSBPMBAAJ-ZIAGYGMSSA-N 2 0 241.423 1.789 10 0 BDAERP CC[C@H](C[NH2+]C1CC1)N(C)CC[NH+]1CCCC1 ZINC000063054188 171437368 /nfs/dbraw/zinc/43/73/68/171437368.db2.gz RHJJHPPCHOCSSN-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@H]([NH2+]CCC(C)(C)F)[C@@H]1CC[NH2+]C1 ZINC000665261644 412204192 /nfs/dbraw/zinc/20/41/92/412204192.db2.gz IQLJVCJRLGYJAF-VHSXEESVSA-N 2 0 202.317 1.712 10 0 BDAERP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)O1 ZINC000665264547 412207417 /nfs/dbraw/zinc/20/74/17/412207417.db2.gz BJYPFZMFWYWVCK-FRRDWIJNSA-N 2 0 226.364 1.676 10 0 BDAERP C[C@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1(F)F ZINC000665265010 412209289 /nfs/dbraw/zinc/20/92/89/412209289.db2.gz NTZTWAUQVOVTJO-VHSXEESVSA-N 2 0 218.291 1.763 10 0 BDAERP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000665276129 412219026 /nfs/dbraw/zinc/21/90/26/412219026.db2.gz YWAXWVCVNILZBX-KWCYVHTRSA-N 2 0 240.391 1.779 10 0 BDAERP CCn1cc[nH+]c1NCC1CC[NH+](C)CC1 ZINC000050614272 172227825 /nfs/dbraw/zinc/22/78/25/172227825.db2.gz CPMDLXHQLVPODE-UHFFFAOYSA-N 2 0 222.336 1.657 10 0 BDAERP C[NH+]1CCC([C@H]([NH3+])c2cccnc2)CC1 ZINC000077299183 173000578 /nfs/dbraw/zinc/00/05/78/173000578.db2.gz SZDGFDYXPTWGMT-LBPRGKRZSA-N 2 0 205.305 1.423 10 0 BDAERP C[NH+](C)C(C)(C)CNCC[C@@H]1CCCC[N@@H+]1C ZINC000049856308 173008047 /nfs/dbraw/zinc/00/80/47/173008047.db2.gz PXJDLSCONJYKLF-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CN1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000020593525 173013674 /nfs/dbraw/zinc/01/36/74/173013674.db2.gz QDCASWRFDZQDCO-UHFFFAOYSA-N 2 0 225.380 1.014 10 0 BDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])C2CCCC2)CC1 ZINC000050272103 173016084 /nfs/dbraw/zinc/01/60/84/173016084.db2.gz KTGOCBAVTIESJS-ZDUSSCGKSA-N 2 0 225.380 1.141 10 0 BDAERP C[N@@H+]1CCCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000020217632 173017368 /nfs/dbraw/zinc/01/73/68/173017368.db2.gz DRNUFLYOVAMVER-UHFFFAOYSA-N 2 0 246.358 1.108 10 0 BDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000020217673 173017929 /nfs/dbraw/zinc/01/79/29/173017929.db2.gz BACGPDSAJYHYOU-LBPRGKRZSA-N 2 0 239.388 1.385 10 0 BDAERP C[N@@H+]1CCC[C@H](CNc2cc(N)cc[nH+]2)C1 ZINC000044535879 173040619 /nfs/dbraw/zinc/04/06/19/173040619.db2.gz AOKIJOBIFWDAGD-SNVBAGLBSA-N 2 0 220.320 1.418 10 0 BDAERP CN(CC[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](C)C1 ZINC000053247497 173044775 /nfs/dbraw/zinc/04/47/75/173044775.db2.gz JFFBTIYMEFGAPY-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000037484723 173115452 /nfs/dbraw/zinc/11/54/52/173115452.db2.gz QELQSIPAXRMILR-LBPRGKRZSA-N 2 0 220.316 1.434 10 0 BDAERP C[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccc(F)cc2)C1 ZINC000036352053 173118993 /nfs/dbraw/zinc/11/89/93/173118993.db2.gz MNZRUJJUKNTAGB-DGCLKSJQSA-N 2 0 222.307 1.647 10 0 BDAERP C[N@@H+]1CC[C@@]2(C[C@H](CC[NH3+])CS2)C1 ZINC000082382431 173141898 /nfs/dbraw/zinc/14/18/98/173141898.db2.gz MKIAQGADLFZJQY-VHSXEESVSA-N 2 0 200.351 1.163 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000037484642 173146913 /nfs/dbraw/zinc/14/69/13/173146913.db2.gz MHZWGHRGSDXIMH-SNVBAGLBSA-N 2 0 210.346 1.789 10 0 BDAERP C[NH2+]C(C)(C)CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000061319842 173319104 /nfs/dbraw/zinc/31/91/04/173319104.db2.gz QEXKKAXWMQZEOV-LLVKDONJSA-N 2 0 213.369 1.010 10 0 BDAERP C[NH2+]C(C)(C)CN1CC[NH+](C(C)C)CC1 ZINC000061319608 173319596 /nfs/dbraw/zinc/31/95/96/173319596.db2.gz FRHIMHXQVZAXJN-UHFFFAOYSA-N 2 0 213.369 1.010 10 0 BDAERP C[NH2+]CC[C@@H](C)[N@@H+]1CCCSCC1 ZINC000052371051 173357371 /nfs/dbraw/zinc/35/73/71/173357371.db2.gz KUYZSONRUFZQGB-SNVBAGLBSA-N 2 0 202.367 1.423 10 0 BDAERP C[NH2+]CC[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973608 173357544 /nfs/dbraw/zinc/35/75/44/173357544.db2.gz CFHAVZUCWSTNJA-KGLIPLIRSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH2+]CCc1csc(CC[NH+](C)C)n1 ZINC000076812362 173360236 /nfs/dbraw/zinc/36/02/36/173360236.db2.gz UPPPGZQHTGHXPP-UHFFFAOYSA-N 2 0 213.350 1.009 10 0 BDAERP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590669 173367629 /nfs/dbraw/zinc/36/76/29/173367629.db2.gz XGNXFVYCFJJRRS-NWDGAFQWSA-N 2 0 228.405 1.813 10 0 BDAERP C[NH2+]C[C@H](C)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973747 173375338 /nfs/dbraw/zinc/37/53/38/173375338.db2.gz ZIVQOPVBMJMLMS-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP C[NH2+]C[C@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000053010851 173381427 /nfs/dbraw/zinc/38/14/27/173381427.db2.gz QOZRNPHRUHWONH-CQSZACIVSA-N 2 0 241.423 1.647 10 0 BDAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382031 173382422 /nfs/dbraw/zinc/38/24/22/173382422.db2.gz WULNUVZJAQTXLN-CHWSQXEVSA-N 2 0 226.364 1.629 10 0 BDAERP C[NH2+]C[C@]1(C[N@H+](C)CC2CCCC2)CCOC1 ZINC000104367591 173384329 /nfs/dbraw/zinc/38/43/29/173384329.db2.gz PPHQPNPXXLADKS-AWEZNQCLSA-N 2 0 240.391 1.735 10 0 BDAERP C[NH2+]Cc1cc(C[NH+]2CCCCC2)on1 ZINC000016943510 173386883 /nfs/dbraw/zinc/38/68/83/173386883.db2.gz VMEJJVCPNJYDHC-UHFFFAOYSA-N 2 0 209.293 1.380 10 0 BDAERP C[NH2+]Cc1cc(C[NH+](C)C)ccc1OC ZINC000016942216 173387438 /nfs/dbraw/zinc/38/74/38/173387438.db2.gz ZXZSJRHNGYCIFT-UHFFFAOYSA-N 2 0 208.305 1.476 10 0 BDAERP C[NH2+]Cc1cc(N(C)C2CC[NH+](C)CC2)ccn1 ZINC000051434837 173387596 /nfs/dbraw/zinc/38/75/96/173387596.db2.gz BRGYPNQUVDOPCR-UHFFFAOYSA-N 2 0 248.374 1.331 10 0 BDAERP C[NH2+]Cc1coc(CN2CC[N@H+](C)[C@H](C)C2)c1 ZINC000104131291 173393495 /nfs/dbraw/zinc/39/34/95/173393495.db2.gz ZAGCGLNKESSDHJ-LLVKDONJSA-N 2 0 237.347 1.135 10 0 BDAERP C[NH2+][C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000075605219 173468311 /nfs/dbraw/zinc/46/83/11/173468311.db2.gz KSDQPTTTZMJYGQ-QWHCGFSZSA-N 2 0 204.317 1.917 10 0 BDAERP COC1CC[NH+](C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053866139 174028061 /nfs/dbraw/zinc/02/80/61/174028061.db2.gz ASXHVSKJBQEIPT-JQWIXIFHSA-N 2 0 212.337 1.225 10 0 BDAERP COC1CC[NH+](C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070503125 174028403 /nfs/dbraw/zinc/02/84/03/174028403.db2.gz MSDVMEPNEVFEDR-NWDGAFQWSA-N 2 0 226.364 1.615 10 0 BDAERP COC1CC[NH+](C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000053858053 174028735 /nfs/dbraw/zinc/02/87/35/174028735.db2.gz VGTQVAWQOUOVBY-YPMHNXCESA-N 2 0 226.364 1.615 10 0 BDAERP COC1CC[NH+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070503122 174029017 /nfs/dbraw/zinc/02/90/17/174029017.db2.gz MSDVMEPNEVFEDR-NEPJUHHUSA-N 2 0 226.364 1.615 10 0 BDAERP COC1CC[NH+](Cc2ccc(C[NH3+])o2)CC1 ZINC000052455233 174030057 /nfs/dbraw/zinc/03/00/57/174030057.db2.gz GYZAKLLCUBEWMP-UHFFFAOYSA-N 2 0 224.304 1.349 10 0 BDAERP COC1CC[NH+]([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037265715 174030653 /nfs/dbraw/zinc/03/06/53/174030653.db2.gz RJRVJLOHYBBLAW-DGCLKSJQSA-N 2 0 226.364 1.615 10 0 BDAERP COCC[N@H+](CCCCCC[NH3+])[C@H](C)COC ZINC000042610880 174290769 /nfs/dbraw/zinc/29/07/69/174290769.db2.gz WQFSVQVVSNTPKX-CYBMUJFWSA-N 2 0 246.395 1.489 10 0 BDAERP COc1ccc(C[N@H+](C)C[C@H](C)C[NH3+])cc1 ZINC000042441458 175095291 /nfs/dbraw/zinc/09/52/91/175095291.db2.gz FIXAPPGPLDARJJ-LLVKDONJSA-N 2 0 222.332 1.722 10 0 BDAERP COc1ccc([C@@H](CC[NH3+])C[NH+](C)C)cc1C ZINC000076619627 175178441 /nfs/dbraw/zinc/17/84/41/175178441.db2.gz JSKSZHYSPIUXTG-ZDUSSCGKSA-N 2 0 236.359 1.998 10 0 BDAERP C[C@@H](c1cnn(C)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010902 176036582 /nfs/dbraw/zinc/03/65/82/176036582.db2.gz LUJHHKVZWBGCPV-NSHDSACASA-N 2 0 236.363 1.413 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CC[C@H](CO)C1 ZINC000049474383 176070348 /nfs/dbraw/zinc/07/03/48/176070348.db2.gz USNLPSRFNIQQTD-KGLIPLIRSA-N 2 0 240.391 1.565 10 0 BDAERP C[C@@H]1CCN(CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000044526817 176168480 /nfs/dbraw/zinc/16/84/80/176168480.db2.gz XEHDHQPBNLQBMI-GFCCVEGCSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCC2)CCCO1 ZINC000061916233 176280877 /nfs/dbraw/zinc/28/08/77/176280877.db2.gz ZZMCEFKWJBEAAZ-LLVKDONJSA-N 2 0 212.337 1.369 10 0 BDAERP C[C@@H]1CN(C[C@@H](C[NH3+])c2ccccc2)CC[N@@H+]1C ZINC000070942703 176296330 /nfs/dbraw/zinc/29/63/30/176296330.db2.gz SODBZJJJCKKAED-UKRRQHHQSA-N 2 0 247.386 1.365 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](Cc2cccnc2)C1 ZINC000049666595 176328812 /nfs/dbraw/zinc/32/88/12/176328812.db2.gz ADSFYHLVMSCPJI-CHWSQXEVSA-N 2 0 233.359 1.759 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCc2ccncc2)C1 ZINC000049666822 176329126 /nfs/dbraw/zinc/32/91/26/176329126.db2.gz NMYNZILLPNQADY-ZIAGYGMSSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCc2cccnc2)C1 ZINC000049666874 176329487 /nfs/dbraw/zinc/32/94/87/176329487.db2.gz FQRSGEUEXURTQU-ZIAGYGMSSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@H](c1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245113 177035923 /nfs/dbraw/zinc/03/59/23/177035923.db2.gz MCGNPQUERFFISN-GHMZBOCLSA-N 2 0 248.326 1.757 10 0 BDAERP C[C@H]1CCC[C@H]([N@H+](C)CCNCC[NH+](C)C)C1 ZINC000053426674 177133924 /nfs/dbraw/zinc/13/39/24/177133924.db2.gz MLRURICTDAQGJO-KBPBESRZSA-N 2 0 241.423 1.648 10 0 BDAERP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052198249 177158772 /nfs/dbraw/zinc/15/87/72/177158772.db2.gz DEHQAWYKGPMTLM-QWHCGFSZSA-N 2 0 240.391 1.862 10 0 BDAERP C[C@H]1C[N@H+](CCC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000061918636 177248979 /nfs/dbraw/zinc/24/89/79/177248979.db2.gz LHIVKJBMGPAAGL-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccc(C(N)=[NH2+])cc2)CCCO1 ZINC000061918971 177261828 /nfs/dbraw/zinc/26/18/28/177261828.db2.gz OGVGMAMGBUXIAV-NSHDSACASA-N 2 0 247.342 1.581 10 0 BDAERP C[C@H]1C[NH2+]CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000044417634 177282043 /nfs/dbraw/zinc/28/20/43/177282043.db2.gz NPGPMCPECQAQMA-STQMWFEESA-N 2 0 226.364 1.487 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C2CCOCC2)C1 ZINC000049666384 177284600 /nfs/dbraw/zinc/28/46/00/177284600.db2.gz ZWNYYZRTWATFJM-TXEJJXNPSA-N 2 0 226.364 1.343 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C2CCOCC2)C1 ZINC000049666385 177286084 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ZINC000400383877 528112118 /nfs/dbraw/zinc/11/21/18/528112118.db2.gz LGKQJQKLRRWBEC-QWHCGFSZSA-N 2 0 227.396 1.306 10 0 BDAERP CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000400356861 528154112 /nfs/dbraw/zinc/15/41/12/528154112.db2.gz AUJHEZJGOHKVQF-QJPTWQEYSA-N 2 0 214.353 1.389 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400353306 528502241 /nfs/dbraw/zinc/50/22/41/528502241.db2.gz LCFDAWWGMOUGBL-BFHYXJOUSA-N 2 0 241.423 1.550 10 0 BDAERP COCCC[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757125490 582500976 /nfs/dbraw/zinc/50/09/76/582500976.db2.gz DVLCYWIMVUZCGQ-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757138843 582518452 /nfs/dbraw/zinc/51/84/52/582518452.db2.gz DMCUMJQENJHBGW-UHFFFAOYSA-N 2 0 224.348 1.589 10 0 BDAERP CC[C@H]1CC[NH2+]C2(CC[NH+](CC)CC2)O1 ZINC000757139816 582520255 /nfs/dbraw/zinc/52/02/55/582520255.db2.gz HYGDHEZTFAAXQL-NSHDSACASA-N 2 0 212.337 1.587 10 0 BDAERP CC1(C)C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1 ZINC000757139763 582520431 /nfs/dbraw/zinc/52/04/31/582520431.db2.gz JYAAWWIGCDRPDE-UHFFFAOYSA-N 2 0 224.348 1.587 10 0 BDAERP C1CC1[NH+]1CCC2(CC1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757143108 582523108 /nfs/dbraw/zinc/52/31/08/582523108.db2.gz MEGQNEQCMIZOJN-DGCLKSJQSA-N 2 0 236.359 1.729 10 0 BDAERP C1CCC2(CC1)CNC1(CC[NH2+]CC1)OC2 ZINC000757153623 582539315 /nfs/dbraw/zinc/53/93/15/582539315.db2.gz YIPCWHCIPMBQRG-UHFFFAOYSA-N 2 0 224.348 1.636 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757218710 582563131 /nfs/dbraw/zinc/56/31/31/582563131.db2.gz VXSBSPVGRFNKQJ-LERXQTSPSA-N 3 0 233.359 1.533 10 0 BDAERP CC1CC[NH+](C2CCN(CC[NH3+])CC2)CC1 ZINC000257771295 582683113 /nfs/dbraw/zinc/68/31/13/582683113.db2.gz MJVFDPCWAKEHRD-UHFFFAOYSA-N 2 0 225.380 1.141 10 0 BDAERP COCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757130869 586426540 /nfs/dbraw/zinc/42/65/40/586426540.db2.gz OKFGBVQXBQCOFL-OLZOCXBDSA-N 2 0 226.364 1.487 10 0 BDAERP COC(=O)[C@@H](C[NH3+])C1CC[NH+](CC(C)C)CC1 ZINC000757190880 586435375 /nfs/dbraw/zinc/43/53/75/586435375.db2.gz FWZKBFATDBJFNV-LBPRGKRZSA-N 2 0 242.363 1.102 10 0 BDAERP C[C@@H]1CC[C@H]([NH3+])[C@H](c2ccc(C[NH3+])cc2)N1 ZINC000757214536 586440171 /nfs/dbraw/zinc/44/01/71/586440171.db2.gz MPKYWJCYNHTCOS-ICCXJUOJSA-N 3 0 219.332 1.286 10 0 BDAERP [NH3+]CC[C@@H]1CC[C@@H](c2cccc(C[NH3+])c2)[NH2+]C1 ZINC000757215948 586440749 /nfs/dbraw/zinc/44/07/49/586440749.db2.gz OOFFXXURQWUFNC-FZMZJTMJSA-N 3 0 233.359 1.535 10 0 BDAERP CC(=O)c1cccc([C@@H]2C[NH2+]CC[C@H]2[NH3+])c1 ZINC000757219046 586442312 /nfs/dbraw/zinc/44/23/12/586442312.db2.gz XSZUJEUUVVCCQC-QWHCGFSZSA-N 2 0 218.300 1.293 10 0 BDAERP [NH3+]Cc1cc([C@@H]2NCCC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757231386 586443188 /nfs/dbraw/zinc/44/31/88/586443188.db2.gz HRTBSQRFHITOCN-GJZGRUSLSA-N 2 0 245.370 1.775 10 0 BDAERP CCn1cc([C@@H]2[NH2+][C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC000757231208 586443435 /nfs/dbraw/zinc/44/34/35/586443435.db2.gz GYQHKSYBUQKVNM-JBLDHEPKSA-N 2 0 222.336 1.291 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1CC[C@H](C[NH3+])C[NH2+]1 ZINC000757235811 586443580 /nfs/dbraw/zinc/44/35/80/586443580.db2.gz MWODRRQIXXHZIW-MFKMUULPSA-N 2 0 219.332 1.577 10 0 BDAERP [NH3+]Cc1cc([C@H]2CC[C@@H]([NH3+])CN2)ccc1C1CC1 ZINC000757238181 586443895 /nfs/dbraw/zinc/44/38/95/586443895.db2.gz RQFQDJHTIWGZGP-UKRRQHHQSA-N 2 0 245.370 1.775 10 0 BDAERP C[C@H]1C[N@H+](CCCCCCC[NH3+])C[C@@H]1N(C)C ZINC000124256957 589971375 /nfs/dbraw/zinc/97/13/75/589971375.db2.gz UMAAJOHJSSLERS-KBPBESRZSA-N 2 0 241.423 1.778 10 0 BDAERP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000328556924 633777216 /nfs/dbraw/zinc/77/72/16/633777216.db2.gz AWWZANVYOIMZMF-ZEIUOFLISA-N 2 0 206.333 1.371 10 0 BDAERP CCN1CCC[C@@H]1C[N@H+](C)CCCCCC[NH3+] ZINC000092633556 634197330 /nfs/dbraw/zinc/19/73/30/634197330.db2.gz IABGKWZEWDHPGH-CQSZACIVSA-N 2 0 241.423 1.922 10 0 BDAERP C[NH2+]C[C@@H]1CCCCN1c1cc(C)nc(C)n1 ZINC000053706509 634327336 /nfs/dbraw/zinc/32/73/36/634327336.db2.gz RFBBFMLEKJXTFW-LBPRGKRZSA-N 2 0 234.347 1.672 10 0 BDAERP CN(C[C@H]1CC[N@H+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000221355778 635330193 /nfs/dbraw/zinc/33/01/93/635330193.db2.gz ZKNMXJOIOLOPBS-KBPBESRZSA-N 3 0 239.407 1.260 10 0 BDAERP CC[NH2+]CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000044651263 640447834 /nfs/dbraw/zinc/44/78/34/640447834.db2.gz FYGHONAIBIAFLI-ZDUSSCGKSA-N 2 0 249.358 1.015 10 0 BDAERP C[NH+](C)[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000062972245 641111079 /nfs/dbraw/zinc/11/10/79/641111079.db2.gz ZPIBLZGYGJICHI-GFCCVEGCSA-N 2 0 241.379 1.058 10 0 BDAERP FC(F)(F)SCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000231938049 641216548 /nfs/dbraw/zinc/21/65/48/641216548.db2.gz QHDMWRWSMJVRMS-QMMMGPOBSA-N 2 0 242.310 1.971 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@H]1CCC[NH2+]1 ZINC000227650078 642973086 /nfs/dbraw/zinc/97/30/86/642973086.db2.gz KXSQWXLCNTXORA-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000249811271 644742087 /nfs/dbraw/zinc/74/20/87/644742087.db2.gz HDJMCMXHXGGUQM-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3CCCC[C@H]3C2)C1 ZINC000250833623 644782031 /nfs/dbraw/zinc/78/20/31/644782031.db2.gz KBSJSDHRFFPHAW-MJBXVCDLSA-N 2 0 237.391 1.284 10 0 BDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCCO1)C2 ZINC000702629312 712057095 /nfs/dbraw/zinc/05/70/95/712057095.db2.gz BXLZIXWYPHKKKA-RWMBFGLXSA-N 2 0 224.348 1.097 10 0 BDAERP [NH3+][C@H]1CCCCCN(C[C@@H]2CCCO2)C1 ZINC000708993494 712205393 /nfs/dbraw/zinc/20/53/93/712205393.db2.gz QLNNWDZLLODWRH-RYUDHWBXSA-N 2 0 212.337 1.369 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000133082268 710968488 /nfs/dbraw/zinc/96/84/88/710968488.db2.gz FRLNITWAGUQXFM-UTUOFQBUSA-N 2 0 212.337 1.082 10 0 BDAERP COC[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000721915324 710690689 /nfs/dbraw/zinc/69/06/89/710690689.db2.gz UHLONWPVEDHUGF-IGQOVBAYSA-N 2 0 240.391 1.574 10 0 BDAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000723119262 711505126 /nfs/dbraw/zinc/50/51/26/711505126.db2.gz XSIDXUFHAWDGOP-QNWJLWSRSA-N 2 0 208.349 1.702 10 0 BDAERP CCOC[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714752619 711522096 /nfs/dbraw/zinc/52/20/96/711522096.db2.gz CRLXOFVNQSSZIW-LLVKDONJSA-N 2 0 214.353 1.615 10 0 BDAERP COC1CC(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709849259 712230210 /nfs/dbraw/zinc/23/02/10/712230210.db2.gz NSBQTRIWCRLVKB-JXQTWKCFSA-N 2 0 238.375 1.487 10 0 BDAERP COCC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000713953733 712474740 /nfs/dbraw/zinc/47/47/40/712474740.db2.gz RWACTOFEIOCEDQ-HHTDUIENSA-N 2 0 238.375 1.628 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000714752966 712497243 /nfs/dbraw/zinc/49/72/43/712497243.db2.gz GKRXJSHOUNHGAW-QJPTWQEYSA-N 2 0 226.364 1.756 10 0 BDAERP CCC1([NH3+])CCN([C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000714752943 712497319 /nfs/dbraw/zinc/49/73/19/712497319.db2.gz FUOFCJYZTJIJRZ-STQMWFEESA-N 2 0 239.407 1.672 10 0 BDAERP CC1(C)CO[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000717284658 712644952 /nfs/dbraw/zinc/64/49/52/712644952.db2.gz JYSQCPFUNOLBMY-MCIGGMRASA-N 2 0 226.364 1.661 10 0 BDAERP COCC(C)(C)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000718764109 712781524 /nfs/dbraw/zinc/78/15/24/712781524.db2.gz SRADAMSFIXXAEF-RYUDHWBXSA-N 2 0 228.380 1.637 10 0 BDAERP Cc1cc(C[NH2+]C2CCC([NH3+])CC2)ccn1 ZINC000336233757 178019066 /nfs/dbraw/zinc/01/90/66/178019066.db2.gz FPJPVVGKDORHDC-UHFFFAOYSA-N 2 0 219.332 1.750 10 0 BDAERP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)[C@@H](C)O1 ZINC000423174926 398164600 /nfs/dbraw/zinc/16/46/00/398164600.db2.gz DCLZDNICVXOIGW-LPWJVIDDSA-N 2 0 226.364 1.532 10 0 BDAERP CCc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000386661503 398213872 /nfs/dbraw/zinc/21/38/72/398213872.db2.gz VNJVALSIMWVNCQ-CYZMBNFOSA-N 2 0 248.374 1.152 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000070798704 361758403 /nfs/dbraw/zinc/75/84/03/361758403.db2.gz UBZZTJZRQULCIR-WDEREUQCSA-N 2 0 214.378 1.423 10 0 BDAERP Cc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000334868186 398236628 /nfs/dbraw/zinc/23/66/28/398236628.db2.gz LDMQADUFMCAAQX-CQSZACIVSA-N 2 0 233.359 1.930 10 0 BDAERP [NH3+]CCN1CC[C@@H](c2ccnc3ccccc32)C1 ZINC000616612877 349599768 /nfs/dbraw/zinc/59/97/68/349599768.db2.gz YHGRAMQAAROHDX-GFCCVEGCSA-N 2 0 241.338 1.983 10 0 BDAERP [NH3+]CCCCCCCCC[NH2+]CCC[NH3+] ZINC000116233240 342922575 /nfs/dbraw/zinc/92/25/75/342922575.db2.gz ZDVFQRGCMWBNDL-UHFFFAOYSA-N 3 0 215.385 1.614 10 0 BDAERP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000235192439 342990183 /nfs/dbraw/zinc/99/01/83/342990183.db2.gz DJZAFYHVWXYSLD-VXGBXAGGSA-N 2 0 226.364 1.391 10 0 BDAERP C[C@H]([NH3+])c1ccc(CN2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000142161817 343105437 /nfs/dbraw/zinc/10/54/37/343105437.db2.gz ZEPOQCRUBRTUSL-STQMWFEESA-N 2 0 247.386 1.842 10 0 BDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000129199031 343176682 /nfs/dbraw/zinc/17/66/82/343176682.db2.gz CVPRPZQMIDLJBM-CQSZACIVSA-N 3 0 239.407 1.450 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)C12CCC2 ZINC000335617272 136296419 /nfs/dbraw/zinc/29/64/19/136296419.db2.gz YGUIARPTPJWQSN-NWDGAFQWSA-N 2 0 224.348 1.286 10 0 BDAERP CCN1CC[C@H]([NH3+])C12CC[NH+](CC(C)C)CC2 ZINC000712090542 537784017 /nfs/dbraw/zinc/78/40/17/537784017.db2.gz YAOPQMTVRYFEMF-ZDUSSCGKSA-N 3 0 239.407 1.530 10 0 BDAERP C[C@]1(C[NH2+]Cc2ccccc2)CC[NH2+]C1 ZINC000062911451 343745849 /nfs/dbraw/zinc/74/58/49/343745849.db2.gz LHNKVFFEHQMZKU-ZDUSSCGKSA-N 2 0 204.317 1.776 10 0 BDAERP COC[C@@H]1C[N@H+](CCC[NH3+])CC12CCCC2 ZINC000409435483 343833769 /nfs/dbraw/zinc/83/37/69/343833769.db2.gz UYQYWTBUZIWROV-LBPRGKRZSA-N 2 0 226.364 1.474 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1C[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000220198170 344097694 /nfs/dbraw/zinc/09/76/94/344097694.db2.gz SGEAMMWNIPTANT-GMTAPVOTSA-N 2 0 212.362 1.327 10 0 BDAERP C[NH2+][C@H]1CCC2(C[C@@H]1N(C)C(C)C)OCCO2 ZINC000043813199 344236854 /nfs/dbraw/zinc/23/68/54/344236854.db2.gz VKXCWSQVFJYYCR-RYUDHWBXSA-N 2 0 242.363 1.210 10 0 BDAERP N[C@@H](CC[NH3+])c1ccc2ccccc2n1 ZINC000060054471 344358297 /nfs/dbraw/zinc/35/82/97/344358297.db2.gz JRVGWMKCMSSEMV-JTQLQIEISA-N 2 0 201.273 1.583 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]([NH3+])C2)CCS1 ZINC000221063433 344669124 /nfs/dbraw/zinc/66/91/24/344669124.db2.gz DLGDXSOKPCDVMQ-OPRDCNLKSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@@H]1C[NH3+] ZINC000634998603 345197992 /nfs/dbraw/zinc/19/79/92/345197992.db2.gz IFVKXWFXJCPTSG-VWYCJHECSA-N 2 0 214.378 1.266 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000634999230 345199273 /nfs/dbraw/zinc/19/92/73/345199273.db2.gz RJQPPFQZMXHFBB-FZMZJTMJSA-N 2 0 246.354 1.648 10 0 BDAERP COCC(C)(C)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999392 345200365 /nfs/dbraw/zinc/20/03/65/345200365.db2.gz UBAFIQWGPWAOTP-QWRGUYRKSA-N 2 0 214.353 1.186 10 0 BDAERP CC1(C)CC(N2CC[NH2+]CC2)CC(C)(C)[NH2+]1 ZINC000082729041 345714658 /nfs/dbraw/zinc/71/46/58/345714658.db2.gz ACNDRMHKUIQIOK-UHFFFAOYSA-N 2 0 225.380 1.201 10 0 BDAERP Cc1cccc(N(CCC[NH3+])CC[NH+](C)C)c1 ZINC000034959887 179119668 /nfs/dbraw/zinc/11/96/68/179119668.db2.gz MOQAVQITXAKYIH-UHFFFAOYSA-N 2 0 235.375 1.712 10 0 BDAERP COc1cccc2c1CC[C@H]1CN(CC[NH3+])C[C@@H]21 ZINC000039020815 347175778 /nfs/dbraw/zinc/17/57/78/347175778.db2.gz MBNLVNWVBKNFGI-SMDDNHRTSA-N 2 0 246.354 1.616 10 0 BDAERP CO[C@H]([C@@H](C)[NH2+]C1CCC([NH3+])CC1)C1CC1 ZINC000388286354 347291761 /nfs/dbraw/zinc/29/17/61/347291761.db2.gz QSTTZBKGBPREMJ-SARFZWSYSA-N 2 0 226.364 1.659 10 0 BDAERP C[C@@H]1C[C@H](C)[NH2+][C@H](CN2CC[NH2+]C[C@H]2C)C1 ZINC000669381760 537996256 /nfs/dbraw/zinc/99/62/56/537996256.db2.gz UJYWZNMSAPNRBO-XQHKEYJVSA-N 2 0 225.380 1.057 10 0 BDAERP Cc1ccccc1[C@H](C[NH3+])N(C)CC[NH+](C)C ZINC000041268351 179342009 /nfs/dbraw/zinc/34/20/09/179342009.db2.gz PIMRPOAKKRPHFE-AWEZNQCLSA-N 2 0 235.375 1.488 10 0 BDAERP Cc1cccnc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071345264 179379090 /nfs/dbraw/zinc/37/90/90/179379090.db2.gz JPQWKWDDILGJBP-YHWZYXNKSA-N 2 0 231.343 1.844 10 0 BDAERP O[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250672083 538023914 /nfs/dbraw/zinc/02/39/14/538023914.db2.gz VEOJNDLOADDGJY-IGQOVBAYSA-N 2 0 238.375 1.506 10 0 BDAERP CC[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000133536684 191041954 /nfs/dbraw/zinc/04/19/54/191041954.db2.gz WFNIHBXUWMOHTK-CHWSQXEVSA-N 2 0 228.380 1.469 10 0 BDAERP c1ccc2c(c1)CN(C[C@H]1CC[NH2+]C1)C=[NH+]2 ZINC000095080153 191053679 /nfs/dbraw/zinc/05/36/79/191053679.db2.gz SOQVVTPOUCKMDR-NSHDSACASA-N 2 0 215.300 1.772 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220675798 350181427 /nfs/dbraw/zinc/18/14/27/350181427.db2.gz PYKJBTVBLRMNEU-OPRDCNLKSA-N 2 0 200.351 1.351 10 0 BDAERP Cc1nccn1CC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000042427523 180253883 /nfs/dbraw/zinc/25/38/83/180253883.db2.gz ZETSYEIRLCNIDW-AAEUAGOBSA-N 2 0 236.363 1.251 10 0 BDAERP [NH3+]CCC[N@H+](C1CC1)[C@H]1CCSC1 ZINC000409433530 350477790 /nfs/dbraw/zinc/47/77/90/350477790.db2.gz MXOHTCBGQSNKLC-JTQLQIEISA-N 2 0 200.351 1.305 10 0 BDAERP [NH3+]CCN1CCCC[C@H](c2cocn2)C1 ZINC000616603811 350795678 /nfs/dbraw/zinc/79/56/78/350795678.db2.gz IMOYTFCNYALJSV-JTQLQIEISA-N 2 0 209.293 1.203 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(F)cc1Cl ZINC000306740801 350931028 /nfs/dbraw/zinc/93/10/28/350931028.db2.gz UCTSVUWMUAYRRH-SECBINFHSA-N 2 0 202.660 1.828 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000306742582 350931577 /nfs/dbraw/zinc/93/15/77/350931577.db2.gz WDRPELBWEYYSBX-VIFPVBQESA-N 2 0 247.111 1.937 10 0 BDAERP CC[C@@H]1C[N@@H+](C2CSC2)CC[C@H]1[NH3+] ZINC000306782348 351029376 /nfs/dbraw/zinc/02/93/76/351029376.db2.gz QMUVVMBNPNKJGW-PSASIEDQSA-N 2 0 200.351 1.161 10 0 BDAERP [NH3+]CCN1CCC[C@H](c2cocn2)CC1 ZINC000616629958 351101820 /nfs/dbraw/zinc/10/18/20/351101820.db2.gz WZNHONMSQAPKJJ-JTQLQIEISA-N 2 0 209.293 1.203 10 0 BDAERP [NH3+]CC[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616670349 351232518 /nfs/dbraw/zinc/23/25/18/351232518.db2.gz OLNTVTNOXNIIHS-LBPRGKRZSA-N 2 0 219.332 1.115 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cc(O)ccc1Br ZINC000306867805 351256903 /nfs/dbraw/zinc/25/69/03/351256903.db2.gz PXHPEHWIZLMSIU-VIFPVBQESA-N 2 0 245.120 1.503 10 0 BDAERP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616662994 351214700 /nfs/dbraw/zinc/21/47/00/351214700.db2.gz NRMHJWSWBSSUPB-AWEZNQCLSA-N 2 0 234.343 1.626 10 0 BDAERP C[C@@H]1C[NH2+][C@]2(CC[N@H+](C)C[C@H]2C)S1 ZINC000306949940 351375138 /nfs/dbraw/zinc/37/51/38/351375138.db2.gz XIPMTLFTPAKAED-OPRDCNLKSA-N 2 0 200.351 1.379 10 0 BDAERP C[C@H]1C[C@H](C)N(C2(C[NH3+])CSC2)C1 ZINC000306979239 351397486 /nfs/dbraw/zinc/39/74/86/351397486.db2.gz FMADTRUWCGLECW-IUCAKERBSA-N 2 0 200.351 1.161 10 0 BDAERP CS[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2[NH3+])C1 ZINC000307021037 351428311 /nfs/dbraw/zinc/42/83/11/351428311.db2.gz CYKOCJWEVBCCLU-UTLUCORTSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C[C@@H]2C)CCS1 ZINC000307030638 351431818 /nfs/dbraw/zinc/43/18/18/351431818.db2.gz DNLWGMRFGHDXHV-HBNTYKKESA-N 2 0 214.378 1.422 10 0 BDAERP CC(C)([NH3+])C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000307047037 351446137 /nfs/dbraw/zinc/44/61/37/351446137.db2.gz ZLUUAUDCJQXMHQ-UHFFFAOYSA-N 2 0 245.367 1.228 10 0 BDAERP C[C@@H]1CCN(C(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000307598583 352665847 /nfs/dbraw/zinc/66/58/47/352665847.db2.gz PCIQLDDHPSCZOR-GFCCVEGCSA-N 2 0 246.358 1.476 10 0 BDAERP C[C@@H]1C[NH2+]CCC[N@H+](CCC(F)F)C1 ZINC000307663048 352748311 /nfs/dbraw/zinc/74/83/11/352748311.db2.gz IIFBJNFNTCQQIO-SECBINFHSA-N 2 0 206.280 1.573 10 0 BDAERP C[C@H]1C[C@@H](NC(N)=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC000307693605 352965036 /nfs/dbraw/zinc/96/50/36/352965036.db2.gz XHWQSATTWAFOOF-CMPLNLGQSA-N 2 0 232.331 1.132 10 0 BDAERP C[C@H]1CC[NH2+]CC[N@@H+]1[C@H]1CCSC1 ZINC000405275663 353155620 /nfs/dbraw/zinc/15/56/20/353155620.db2.gz WXYKHRXOVSZBRX-UWVGGRQHSA-N 2 0 200.351 1.176 10 0 BDAERP Cc1cnccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398372080 363227634 /nfs/dbraw/zinc/22/76/34/363227634.db2.gz DDLSAHOUYRSZIK-NSHDSACASA-N 2 0 205.305 1.089 10 0 BDAERP C[C@@]1([NH3+])CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000405780175 355273632 /nfs/dbraw/zinc/27/36/32/355273632.db2.gz HBKXUUJANMCRAC-VHSXEESVSA-N 2 0 200.351 1.163 10 0 BDAERP C[C@@H]1CSC[C@@H]1[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405789697 355276195 /nfs/dbraw/zinc/27/61/95/355276195.db2.gz KKBYYWGYPFMWGA-KXUCPTDWSA-N 2 0 200.351 1.161 10 0 BDAERP NC(=[NH2+])CCN(CCC[NH+]1CCCC1)C1CC1 ZINC000042548206 181186618 /nfs/dbraw/zinc/18/66/18/181186618.db2.gz DADIWCWXVGZNSJ-UHFFFAOYSA-N 2 0 238.379 1.263 10 0 BDAERP C[C@@H]1COC[C@@H](C)[NH+]1CC[C@@H]1CC[NH2+]C1 ZINC000420296789 192205954 /nfs/dbraw/zinc/20/59/54/192205954.db2.gz DWUOIMBEPWCZML-UTUOFQBUSA-N 2 0 212.337 1.095 10 0 BDAERP O[C@H](C[NH+]1CCCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059551 538484464 /nfs/dbraw/zinc/48/44/64/538484464.db2.gz SHHVJLGGYABKMU-OAHLLOKOSA-N 2 0 246.354 1.462 10 0 BDAERP C[C@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000582235691 356651980 /nfs/dbraw/zinc/65/19/80/356651980.db2.gz UZQZRQNLAIRHQQ-QWHCGFSZSA-N 2 0 240.391 1.781 10 0 BDAERP [NH3+][C@@H]1C=C(c2cc(F)ccc2F)CNC1 ZINC000675078475 538515898 /nfs/dbraw/zinc/51/58/98/538515898.db2.gz QBDJPJUDYSNPQU-SECBINFHSA-N 2 0 210.227 1.279 10 0 BDAERP CC(C)[NH+]1CCC2(CC1)OCC[C@H]2C[NH3+] ZINC000675080194 538519685 /nfs/dbraw/zinc/51/96/85/538519685.db2.gz MKJWVZBWMODCPW-NSHDSACASA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C1[NH+]1CCSCC1 ZINC000685950667 538893996 /nfs/dbraw/zinc/89/39/96/538893996.db2.gz DDSFDTDNQPYURX-NXEZZACHSA-N 2 0 214.378 1.279 10 0 BDAERP Cc1c[nH+]ccc1N1CCO[C@@H](C[NH+](C)C)C1 ZINC000192573588 357844594 /nfs/dbraw/zinc/84/45/94/357844594.db2.gz RHCIEXGUKMSNJA-LBPRGKRZSA-N 2 0 235.331 1.157 10 0 BDAERP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000584768894 358171129 /nfs/dbraw/zinc/17/11/29/358171129.db2.gz JQBZQGYSUPMWBA-XVIXHAIJSA-N 2 0 240.391 1.920 10 0 BDAERP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCSC2)[C@@H](C)C1 ZINC000299969720 358958332 /nfs/dbraw/zinc/95/83/32/358958332.db2.gz RNWVIHWQDWKLHH-AXFHLTTASA-N 2 0 214.378 1.564 10 0 BDAERP CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823313 359064496 /nfs/dbraw/zinc/06/44/96/359064496.db2.gz PMGVUMFEERJODY-OLZOCXBDSA-N 2 0 227.396 1.243 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCSCC1 ZINC000306213419 359307117 /nfs/dbraw/zinc/30/71/17/359307117.db2.gz WVOUINUJHBDIDN-KOLCDFICSA-N 2 0 214.378 1.470 10 0 BDAERP [NH3+][C@H]1C=C[C@@H](CN2CCC(F)(F)C2)C1 ZINC000306241456 359420915 /nfs/dbraw/zinc/42/09/15/359420915.db2.gz RGXTZNIZALDUNX-BDAKNGLRSA-N 2 0 202.248 1.231 10 0 BDAERP CNC(=[NH2+])N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000306395370 359760828 /nfs/dbraw/zinc/76/08/28/359760828.db2.gz JKGJRRSDMLPART-AAEUAGOBSA-N 2 0 246.358 1.393 10 0 BDAERP C[C@H]1[C@@H](NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000306440768 360005840 /nfs/dbraw/zinc/00/58/40/360005840.db2.gz KUIUBFJHGZESNY-JQWIXIFHSA-N 2 0 232.331 1.132 10 0 BDAERP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000306489452 360178659 /nfs/dbraw/zinc/17/86/59/360178659.db2.gz LMJANJNMQRYJTC-WPRPVWTQSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@H]1CSCC[N@@H+]1C1CC[NH2+]CC1 ZINC000069761007 360409353 /nfs/dbraw/zinc/40/93/53/360409353.db2.gz CGQSFQFNFIRIGT-VIFPVBQESA-N 2 0 200.351 1.176 10 0 BDAERP C[C@H]([C@H]1CC[NH2+]C1)[N@@H+]1CCSC[C@H]1C ZINC000306577055 360464995 /nfs/dbraw/zinc/46/49/95/360464995.db2.gz KYWWXDRXWAVKOQ-MXWKQRLJSA-N 2 0 214.378 1.422 10 0 BDAERP CC[C@](C)(C[NH3+])[N@@H+]1CCCOC[C@H]1C ZINC000306592491 360510967 /nfs/dbraw/zinc/51/09/67/360510967.db2.gz WLXDSLSAWDIWRT-GHMZBOCLSA-N 2 0 200.326 1.225 10 0 BDAERP C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000306611962 360852544 /nfs/dbraw/zinc/85/25/44/360852544.db2.gz HNBAKRAUBSVJDN-HBNTYKKESA-N 2 0 214.378 1.612 10 0 BDAERP COC1(C[NH2+]C[C@H]2CC[NH2+]C2)CCCC1 ZINC000629647753 361537594 /nfs/dbraw/zinc/53/75/94/361537594.db2.gz HSSUPNWHSFCHKY-NSHDSACASA-N 2 0 212.337 1.145 10 0 BDAERP COC1(C[NH2+]C[C@@H]2CC[NH2+]C2)CCCC1 ZINC000629647752 361537945 /nfs/dbraw/zinc/53/79/45/361537945.db2.gz HSSUPNWHSFCHKY-LLVKDONJSA-N 2 0 212.337 1.145 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000051694486 181341321 /nfs/dbraw/zinc/34/13/21/181341321.db2.gz WEVIJCNUIWRWPG-MCIGGMRASA-N 2 0 210.321 1.539 10 0 BDAERP [NH3+]C1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000094089167 181342339 /nfs/dbraw/zinc/34/23/39/181342339.db2.gz XCHRSRVDJDKVOM-XIVSLSHWSA-N 2 0 232.327 1.980 10 0 BDAERP [NH3+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000011729475 181343204 /nfs/dbraw/zinc/34/32/04/181343204.db2.gz QZUFUCNGVYDCIZ-UHFFFAOYSA-N 2 0 222.307 1.791 10 0 BDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(O)cc1 ZINC000054628689 181344843 /nfs/dbraw/zinc/34/48/43/181344843.db2.gz QQSVSUJUWOJQMQ-AGUYFDCRSA-N 2 0 246.354 1.889 10 0 BDAERP C[C@H](C[NH3+])[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000252588209 363909521 /nfs/dbraw/zinc/90/95/21/363909521.db2.gz AUEMVAHQZVYDMA-GMTAPVOTSA-N 2 0 200.326 1.081 10 0 BDAERP CO[C@@H]1CN(Cc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630364017 364082243 /nfs/dbraw/zinc/08/22/43/364082243.db2.gz OEPIVCKEFRZRDX-STQMWFEESA-N 2 0 235.331 1.020 10 0 BDAERP CCC(CC)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630369127 364086308 /nfs/dbraw/zinc/08/63/08/364086308.db2.gz VJNYUKXOETZUMO-CHWSQXEVSA-N 2 0 228.380 1.861 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCC[C@@H](CO)C2)CCCC1 ZINC000051206179 181358722 /nfs/dbraw/zinc/35/87/22/181358722.db2.gz BXHXLTLDZRDUAB-GFCCVEGCSA-N 2 0 226.364 1.210 10 0 BDAERP Cc1c[nH+]ccc1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000630533374 364225717 /nfs/dbraw/zinc/22/57/17/364225717.db2.gz OYCOMQQQFWNDPR-QWRGUYRKSA-N 2 0 205.305 1.364 10 0 BDAERP C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000087048170 541372056 /nfs/dbraw/zinc/37/20/56/541372056.db2.gz VHMWAHPCDJFPQT-RVMXOQNASA-N 2 0 226.364 1.756 10 0 BDAERP [NH3+]CCCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000062321475 181375539 /nfs/dbraw/zinc/37/55/39/181375539.db2.gz WNPDIBRNPOKUCF-UHFFFAOYSA-N 2 0 236.363 1.608 10 0 BDAERP [NH3+]CCCOC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004110584 181384249 /nfs/dbraw/zinc/38/42/49/181384249.db2.gz IBGXCLWTIRDXIN-QWHCGFSZSA-N 2 0 226.364 1.616 10 0 BDAERP [NH3+]CCN(CC[NH3+])c1ccccc1C(F)(F)F ZINC000061806610 181390130 /nfs/dbraw/zinc/39/01/30/181390130.db2.gz XMUIPUVZSZSGDP-UHFFFAOYSA-N 2 0 247.264 1.429 10 0 BDAERP OCC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444596369 193052048 /nfs/dbraw/zinc/05/20/48/193052048.db2.gz MZGCHGKRUNPDHP-CQSZACIVSA-N 2 0 240.391 1.567 10 0 BDAERP COC[C@H](C1CC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380670089 367276002 /nfs/dbraw/zinc/27/60/02/367276002.db2.gz AVEBPHWDHJQFDD-RAIGVLPGSA-N 2 0 226.364 1.328 10 0 BDAERP C[C@H]1OCC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000382199069 367498580 /nfs/dbraw/zinc/49/85/80/367498580.db2.gz DMLMAZVKVZTTOO-JHJVBQTASA-N 2 0 226.364 1.628 10 0 BDAERP CO[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000252943371 368168893 /nfs/dbraw/zinc/16/88/93/368168893.db2.gz KMGBGAOPMDHDBA-MMWGEVLESA-N 2 0 200.326 1.079 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CC[C@H]([NH3+])C2)CCS1 ZINC000252979923 368177240 /nfs/dbraw/zinc/17/72/40/368177240.db2.gz KAXTYSDKLPVSHQ-VWYCJHECSA-N 2 0 214.378 1.551 10 0 BDAERP Cc1cc[n+](C)c(-c2cc(C)cc[n+]2C)c1 ZINC000140437601 368346939 /nfs/dbraw/zinc/34/69/39/368346939.db2.gz AICDLPAUDBXULK-UHFFFAOYSA-N 2 0 214.312 1.619 10 0 BDAERP Cc1ccncc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836836 369085091 /nfs/dbraw/zinc/08/50/91/369085091.db2.gz HQZXUEVWTXVJOM-RYUDHWBXSA-N 2 0 219.332 1.417 10 0 BDAERP CC1(C)C[NH+](CCC[NH3+])CC(C)(C)O1 ZINC000226413417 371662747 /nfs/dbraw/zinc/66/27/47/371662747.db2.gz BXWXWUUJUITCBQ-UHFFFAOYSA-N 2 0 200.326 1.225 10 0 BDAERP CC1(C)CN(C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133316618 372022465 /nfs/dbraw/zinc/02/24/65/372022465.db2.gz TTYNGEWZJSMCEO-JTQLQIEISA-N 2 0 214.378 1.566 10 0 BDAERP C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000631836719 372625249 /nfs/dbraw/zinc/62/52/49/372625249.db2.gz FTKHCKMVVAAXRH-AGIUHOORSA-N 2 0 226.364 1.472 10 0 BDAERP OC[C@H]1CC[N@H+](CCC[NH+]2CCCCCC2)C1 ZINC000049474441 183152253 /nfs/dbraw/zinc/15/22/53/183152253.db2.gz YMZKBSQATOBTIP-AWEZNQCLSA-N 2 0 240.391 1.567 10 0 BDAERP CCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862543 169074996 /nfs/dbraw/zinc/07/49/96/169074996.db2.gz OIVCNTZAIVQPRN-LBPRGKRZSA-N 2 0 228.380 1.421 10 0 BDAERP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904451 183190204 /nfs/dbraw/zinc/19/02/04/183190204.db2.gz UPKNQDIAOVAOOI-IACUBPJLSA-N 2 0 238.375 1.364 10 0 BDAERP CCCN(CC)C1(C[NH3+])CC[NH+](CCC)CC1 ZINC000037094781 169187257 /nfs/dbraw/zinc/18/72/57/169187257.db2.gz YMORXFBUOFWSIT-UHFFFAOYSA-N 2 0 241.423 1.922 10 0 BDAERP CCC[NH+]1CCC(Nc2[nH+]ccn2C)CC1 ZINC000050606482 169190096 /nfs/dbraw/zinc/19/00/96/169190096.db2.gz FMSWOEZZVOYBDU-UHFFFAOYSA-N 2 0 222.336 1.706 10 0 BDAERP CCC[NH+]1CCN(CC[C@H](C)[NH2+]C)CC1 ZINC000043805414 169202573 /nfs/dbraw/zinc/20/25/73/169202573.db2.gz JFXBFXXPFRGOFA-LBPRGKRZSA-N 2 0 213.369 1.012 10 0 BDAERP CCC[NH+]1CCN([C@@](C)(C[NH3+])CCC)CC1 ZINC000019518356 169202663 /nfs/dbraw/zinc/20/26/63/169202663.db2.gz JFROZSVLFXPMNK-CYBMUJFWSA-N 2 0 227.396 1.532 10 0 BDAERP CCC[NH+]1CCN([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000019405923 169205708 /nfs/dbraw/zinc/20/57/08/169205708.db2.gz QFEWKKWUCUACPO-OLZOCXBDSA-N 2 0 225.380 1.284 10 0 BDAERP CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000037689501 169255358 /nfs/dbraw/zinc/25/53/58/169255358.db2.gz BGOFCSZSLHVEJR-QWHCGFSZSA-N 2 0 226.364 1.364 10 0 BDAERP CCC[NH2+]C[C@@H](O)C[N@H+](CCOC)[C@@H](C)CC ZINC000042580679 169262314 /nfs/dbraw/zinc/26/23/14/169262314.db2.gz NDXPUWXXOYVXSI-QWHCGFSZSA-N 2 0 246.395 1.094 10 0 BDAERP CCC[NH2+][C@H](C)[C@@H](C)N1CC[N@H+](C)[C@H](CC)C1 ZINC000104142882 169285780 /nfs/dbraw/zinc/28/57/80/169285780.db2.gz FSBOHFJUKGUFGL-MGPQQGTHSA-N 2 0 241.423 1.789 10 0 BDAERP CCC[NH2+]C[C@H](C)CN1CCC([NH+](C)C)CC1 ZINC000052477583 169263212 /nfs/dbraw/zinc/26/32/12/169263212.db2.gz CTHGLTVICZJZEM-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@H](C)OCC[NH+](CC)CC ZINC000052671609 169263538 /nfs/dbraw/zinc/26/35/38/169263538.db2.gz ZGNDDJJZOKQHFE-LBPRGKRZSA-N 2 0 216.369 1.733 10 0 BDAERP CCC[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104421512 169264820 /nfs/dbraw/zinc/26/48/20/169264820.db2.gz CFYLVLYKQMTYMH-MCIONIFRSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000049694010 169282271 /nfs/dbraw/zinc/28/22/71/169282271.db2.gz FLHHNUFXGIIPSE-MELADBBJSA-N 2 0 240.391 1.875 10 0 BDAERP COC1(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000319225151 384214028 /nfs/dbraw/zinc/21/40/28/384214028.db2.gz UGTRSKWHGFIZAV-YNEHKIRRSA-N 2 0 238.375 1.615 10 0 BDAERP [NH3+][C@H](CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095077233 384352879 /nfs/dbraw/zinc/35/28/79/384352879.db2.gz PYWOWVDBIHYQJK-LSDHHAIUSA-N 2 0 248.370 1.608 10 0 BDAERP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095068397 384329930 /nfs/dbraw/zinc/32/99/30/384329930.db2.gz JHRQQEBRVZYLKN-SNVBAGLBSA-N 2 0 207.321 1.665 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 ZINC000400622111 384538245 /nfs/dbraw/zinc/53/82/45/384538245.db2.gz JRLRORFDHSTJDT-SDDRHHMPSA-N 2 0 212.337 1.286 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2ccccn2)CC1 ZINC000100278656 384631460 /nfs/dbraw/zinc/63/14/60/384631460.db2.gz JPMHHLKOXLFJQE-PHIMTYICSA-N 2 0 233.315 1.124 10 0 BDAERP C[C@H]([NH3+])CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000258847829 384948891 /nfs/dbraw/zinc/94/88/91/384948891.db2.gz XALLPSJMARDHQQ-QMMMGPOBSA-N 2 0 214.259 1.792 10 0 BDAERP Fc1ccc(F)c(CNC[C@H]2CC[NH2+]C2)c1 ZINC000258930367 384951653 /nfs/dbraw/zinc/95/16/53/384951653.db2.gz PKWIQIOPTYWAPT-VIFPVBQESA-N 2 0 226.270 1.664 10 0 BDAERP COc1ccc(C)cc1C[NH2+]CC[C@H](C)[NH3+] ZINC000258718672 384940988 /nfs/dbraw/zinc/94/09/88/384940988.db2.gz ISFNBYRWFXAZIF-NSHDSACASA-N 2 0 222.332 1.831 10 0 BDAERP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000336770770 385473747 /nfs/dbraw/zinc/47/37/47/385473747.db2.gz WYSGYFZTOPMMJR-RXGFPQBGSA-N 2 0 208.349 1.857 10 0 BDAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)CC(F)F ZINC000647800430 385806634 /nfs/dbraw/zinc/80/66/34/385806634.db2.gz AZGLJTXIZDRXQO-LPEHRKFASA-N 2 0 220.307 1.865 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000647971016 386454210 /nfs/dbraw/zinc/45/42/10/386454210.db2.gz PFTSYZZABDSULZ-ZDUSSCGKSA-N 2 0 233.359 1.652 10 0 BDAERP Cc1cccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000415108720 386588733 /nfs/dbraw/zinc/58/87/33/386588733.db2.gz QKMSJDSEFZQCIX-ZDUSSCGKSA-N 2 0 233.359 1.522 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]([NH3+])C2)CS1 ZINC000306895519 386532241 /nfs/dbraw/zinc/53/22/41/386532241.db2.gz MYAKUJJMFBMGIW-IMSYWVGJSA-N 2 0 200.351 1.350 10 0 BDAERP CC[N@H+](CCN[C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000519698274 386534817 /nfs/dbraw/zinc/53/48/17/386534817.db2.gz IKQOQUDQGYUGMU-CHWSQXEVSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000415103601 386623242 /nfs/dbraw/zinc/62/32/42/386623242.db2.gz CNWHMXWFTMHVRV-CKIKVBCHSA-N 2 0 208.349 1.763 10 0 BDAERP COc1cc(O)ccc1[C@@H]([NH3+])CCC[NH3+] ZINC000575440326 387120918 /nfs/dbraw/zinc/12/09/18/387120918.db2.gz NYQAHOBKVSDNGJ-JTQLQIEISA-N 2 0 210.277 1.140 10 0 BDAERP COc1ccc([C@@H]([NH3+])CCC[NH3+])cc1O ZINC000575439864 387126217 /nfs/dbraw/zinc/12/62/17/387126217.db2.gz WKNMMBRFQZPKIQ-VIFPVBQESA-N 2 0 210.277 1.140 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1ccc2[nH]ccc2c1 ZINC000575440129 387128233 /nfs/dbraw/zinc/12/82/33/387128233.db2.gz VYPMBDXHYCMOJI-LLVKDONJSA-N 2 0 203.289 1.907 10 0 BDAERP C[NH2+][C@@H]1CO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575508173 387371335 /nfs/dbraw/zinc/37/13/35/387371335.db2.gz OOMUTXJGFMZXGF-LSDHHAIUSA-N 2 0 246.354 1.639 10 0 BDAERP [NH3+]C1CC(C[N@@H+]2CCC=C(Cl)C2)C1 ZINC000575498108 387328048 /nfs/dbraw/zinc/32/80/48/387328048.db2.gz RXTCBECWSGYKBI-UHFFFAOYSA-N 2 0 200.713 1.552 10 0 BDAERP [NH3+]C1CC(C[N@@H+]2CCCSCC2)C1 ZINC000575521472 387452102 /nfs/dbraw/zinc/45/21/02/387452102.db2.gz WNAURNKFJIIBCM-UHFFFAOYSA-N 2 0 200.351 1.163 10 0 BDAERP CC(C)OC1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000643475984 387513303 /nfs/dbraw/zinc/51/33/03/387513303.db2.gz ZRWLXQFRLBMFTP-OTTFEQOBSA-N 2 0 226.364 1.674 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CCC[NH2+]CC1 ZINC000129111173 387764340 /nfs/dbraw/zinc/76/43/40/387764340.db2.gz PMHVNMUJBZTBTL-ZIAGYGMSSA-N 2 0 241.423 1.694 10 0 BDAERP CC(C)OCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193639941 387858606 /nfs/dbraw/zinc/85/86/06/387858606.db2.gz LLJUGWBCDPTEQU-BETUJISGSA-N 2 0 226.364 1.295 10 0 BDAERP C[C@@H]([NH2+]CCCOCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000643457831 387817753 /nfs/dbraw/zinc/81/77/53/387817753.db2.gz XIGDTEZCFZASLY-TZMCWYRMSA-N 2 0 240.391 1.781 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000151322852 387817625 /nfs/dbraw/zinc/81/76/25/387817625.db2.gz ZWAYBSZKPKOLLN-QWHCGFSZSA-N 2 0 242.407 1.857 10 0 BDAERP C[C@H]([NH2+]CCOCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400502989 387982455 /nfs/dbraw/zinc/98/24/55/387982455.db2.gz CNXVKXIBUXKDRO-DZGCQCFKSA-N 2 0 248.370 1.791 10 0 BDAERP C[NH+](C)CCC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000252459205 135091219 /nfs/dbraw/zinc/09/12/19/135091219.db2.gz WVOZSFOPEULKHG-NWDGAFQWSA-N 2 0 214.353 1.031 10 0 BDAERP CC(C)[C@H](CN[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000086725759 388108249 /nfs/dbraw/zinc/10/82/49/388108249.db2.gz COKCTRHCJQRYQH-STQMWFEESA-N 2 0 225.380 1.058 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166592774 388255229 /nfs/dbraw/zinc/25/52/29/388255229.db2.gz MHPDAJAMKLSBIX-YNEHKIRRSA-N 2 0 240.391 1.610 10 0 BDAERP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000300387210 388364331 /nfs/dbraw/zinc/36/43/31/388364331.db2.gz PEJGGNSBLZWBIX-UPJWGTAASA-N 2 0 226.364 1.221 10 0 BDAERP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000335044259 388448248 /nfs/dbraw/zinc/44/82/48/388448248.db2.gz XWVIEFDYFGWSFZ-RISCZKNCSA-N 2 0 230.355 1.741 10 0 BDAERP CC1(C)CC([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000347411568 388523022 /nfs/dbraw/zinc/52/30/22/388523022.db2.gz AZGJOYJOHQKKSO-ZDUSSCGKSA-N 2 0 240.391 1.611 10 0 BDAERP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH2+]CC1)OC ZINC000362977658 388563117 /nfs/dbraw/zinc/56/31/17/388563117.db2.gz SPSPJJPENRXGLV-PWSUYJOCSA-N 2 0 214.353 1.389 10 0 BDAERP CCC[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OCC ZINC000530212325 388627353 /nfs/dbraw/zinc/62/73/53/388627353.db2.gz QGRYOFIJJHLIGE-CHWSQXEVSA-N 2 0 228.380 1.923 10 0 BDAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000530224066 388633887 /nfs/dbraw/zinc/63/38/87/388633887.db2.gz KTGOZCGHEPYNLK-UXOCHWMISA-N 2 0 226.364 1.658 10 0 BDAERP CCOC[C@@H](C)[NH2+][C@H]1CCCN(CC)C1 ZINC000222590296 388640272 /nfs/dbraw/zinc/64/02/72/388640272.db2.gz BVXZKPDHBYKVMT-NEPJUHHUSA-N 2 0 214.353 1.485 10 0 BDAERP Cc1c[nH+]ccc1N1CCC(C[NH3+])CC1 ZINC000070047565 132229887 /nfs/dbraw/zinc/22/98/87/132229887.db2.gz DXFOAWIMZMGOSO-UHFFFAOYSA-N 2 0 205.305 1.565 10 0 BDAERP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000566004107 388982621 /nfs/dbraw/zinc/98/26/21/388982621.db2.gz QZZYNZAZLONXKP-SDDRHHMPSA-N 2 0 214.353 1.389 10 0 BDAERP CC[NH+]1CCC([NH2+]CCn2cc(C)cn2)CC1 ZINC000223811188 535474604 /nfs/dbraw/zinc/47/46/04/535474604.db2.gz HEZXLQHVGREDQQ-UHFFFAOYSA-N 2 0 236.363 1.265 10 0 BDAERP CC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368418 132338314 /nfs/dbraw/zinc/33/83/14/132338314.db2.gz NPCMPOZRBVVJJZ-NSHDSACASA-N 2 0 234.347 1.584 10 0 BDAERP C[C@@H](CC(N)=[NH2+])[NH+]1CCN(c2ccccc2)CC1 ZINC000048249729 132355286 /nfs/dbraw/zinc/35/52/86/132355286.db2.gz HSHXDQRTGWEXII-LBPRGKRZSA-N 2 0 246.358 1.523 10 0 BDAERP CC1CCC(C[NH2+]CCOCC[NH+](C)C)CC1 ZINC000226745513 134370938 /nfs/dbraw/zinc/37/09/38/134370938.db2.gz SHYOGBYQWIPFRM-UHFFFAOYSA-N 2 0 242.407 1.981 10 0 BDAERP Cc1c[nH+]ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248667661 135018684 /nfs/dbraw/zinc/01/86/84/135018684.db2.gz PYWBOCBUKIKMMS-LBPRGKRZSA-N 2 0 217.316 1.674 10 0 BDAERP CC(C)COCCC[NH2+]C1CCC([NH3+])CC1 ZINC000086725509 135095198 /nfs/dbraw/zinc/09/51/98/135095198.db2.gz HPTQCRDWHFTMGN-UHFFFAOYSA-N 2 0 228.380 1.909 10 0 BDAERP CC1(C)C[N@H+](C[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261535937 135170158 /nfs/dbraw/zinc/17/01/58/135170158.db2.gz PSYRUYYZQBUXTL-WDEREUQCSA-N 2 0 212.337 1.082 10 0 BDAERP Cc1cc(N2CC[C@@H]([NH3+])C(C)(C)C2)cc[nH+]1 ZINC000261596131 135236355 /nfs/dbraw/zinc/23/63/55/135236355.db2.gz YNIUQCRKONQICD-GFCCVEGCSA-N 2 0 219.332 1.954 10 0 BDAERP CC1(C)C[N@H+](CCc2cccnc2)CC[C@H]1[NH3+] ZINC000261547876 135241151 /nfs/dbraw/zinc/24/11/51/135241151.db2.gz ITQZJDXIIWEMDL-CYBMUJFWSA-N 2 0 233.359 1.683 10 0 BDAERP CC(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262153479 135282178 /nfs/dbraw/zinc/28/21/78/135282178.db2.gz RODOOHVIFCIFTH-GJZGRUSLSA-N 2 0 248.370 1.480 10 0 BDAERP CC1(C)CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262181439 135284477 /nfs/dbraw/zinc/28/44/77/135284477.db2.gz WVHWGTSEEHEPBB-CMPLNLGQSA-N 2 0 226.364 1.125 10 0 BDAERP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262566453 135306716 /nfs/dbraw/zinc/30/67/16/135306716.db2.gz DLDFHDBRMKDFQH-VXGBXAGGSA-N 2 0 241.379 1.139 10 0 BDAERP CC(C)C1CCC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263315532 135345889 /nfs/dbraw/zinc/34/58/89/135345889.db2.gz ZKGRMLJQJPBJRM-FKZOYECMSA-N 2 0 240.391 1.371 10 0 BDAERP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc[nH+]1 ZINC000335309324 136028095 /nfs/dbraw/zinc/02/80/95/136028095.db2.gz VXUAFCGJFVJLPP-PWSUYJOCSA-N 2 0 203.289 1.188 10 0 BDAERP Cn1cncc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000179271524 397852178 /nfs/dbraw/zinc/85/21/78/397852178.db2.gz HTQWKNRDBUZMIG-GFCCVEGCSA-N 2 0 245.330 1.281 10 0 BDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000389649815 398117439 /nfs/dbraw/zinc/11/74/39/398117439.db2.gz VIEWKZBLKMUBCT-IJLUTSLNSA-N 2 0 214.353 1.397 10 0 BDAERP CC(C)(O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033295 398109885 /nfs/dbraw/zinc/10/98/85/398109885.db2.gz PLJXHRFYVPSAFJ-UHFFFAOYSA-N 2 0 240.391 1.565 10 0 BDAERP CC(C)C[NH2+]CCCN1CCC[C@H]1C[NH+](C)C ZINC000061654421 167002911 /nfs/dbraw/zinc/00/29/11/167002911.db2.gz GAQVEZXFSPWTBI-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)[NH2+]CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000042462874 167101413 /nfs/dbraw/zinc/10/14/13/167101413.db2.gz IZYYDJDEJWRDCY-UHFFFAOYSA-N 2 0 241.423 1.791 10 0 BDAERP CC(C)[NH2+]Cc1cccc(OCC[NH3+])c1 ZINC000041217929 167119422 /nfs/dbraw/zinc/11/94/22/167119422.db2.gz PXDMKKSICGKKGV-UHFFFAOYSA-N 2 0 208.305 1.522 10 0 BDAERP CC(C)[C@@H](CN(C)C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629120 167394811 /nfs/dbraw/zinc/39/48/11/167394811.db2.gz FFXBBQVBFGPBHL-WTUNAVPPSA-N 2 0 239.407 1.527 10 0 BDAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](C)CC1 ZINC000052379181 167399736 /nfs/dbraw/zinc/39/97/36/167399736.db2.gz CWLJMEMJISJVEU-CYBMUJFWSA-N 2 0 241.423 1.647 10 0 BDAERP CCN(CC)c1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000000554905 169804234 /nfs/dbraw/zinc/80/42/34/169804234.db2.gz ACYNQSZKWXOVTQ-UHFFFAOYSA-N 2 0 248.334 1.363 10 0 BDAERP C[C@@H]([NH2+]C1CC(CO)C1)C1CC[NH+](C)CC1 ZINC000658351046 411352641 /nfs/dbraw/zinc/35/26/41/411352641.db2.gz KHZVAVWKQDPAGU-XSRFYTQQSA-N 2 0 226.364 1.077 10 0 BDAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000656782771 411360317 /nfs/dbraw/zinc/36/03/17/411360317.db2.gz JPNAMBMQTFXTGT-FRRDWIJNSA-N 2 0 233.359 1.773 10 0 BDAERP CN(C)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000062965785 411335131 /nfs/dbraw/zinc/33/51/31/411335131.db2.gz GNTBONZGZOSQPQ-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP CCC(C)(C)[NH2+]C[C@H](C)N1CCC[N@H+](C)CC1 ZINC000053487761 168298739 /nfs/dbraw/zinc/29/87/39/168298739.db2.gz GWDMLNQJMKYABX-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP CC[N@@H+]1CC[C@H](CNC[C@@H]2CCCC[NH+]2C)C1 ZINC000054242791 170015112 /nfs/dbraw/zinc/01/51/12/170015112.db2.gz QGPZNOPVTUSCOG-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP CC[N@@H+]1CC[C@H](CNCCC[NH+]2CCCC2)C1 ZINC000049332489 170015261 /nfs/dbraw/zinc/01/52/61/170015261.db2.gz BJAVVBUKYVHFPZ-CQSZACIVSA-N 2 0 239.407 1.404 10 0 BDAERP CC[NH2+]CC1(C[N@H+](CC)C2CC2)CCOCC1 ZINC000052181252 170110414 /nfs/dbraw/zinc/11/04/14/170110414.db2.gz RVSUIFWIJXNSIM-UHFFFAOYSA-N 2 0 240.391 1.877 10 0 BDAERP CC[NH2+]CCCCC[N@@H+]1CCN(C)[C@H](CC)C1 ZINC000104126298 170111402 /nfs/dbraw/zinc/11/14/02/170111402.db2.gz AXFRQBOVFLESKQ-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP CC[NH2+]CCNCC[NH+]1CCCCCC1 ZINC000049478455 170115730 /nfs/dbraw/zinc/11/57/30/170115730.db2.gz TXLVGXCDZUCFNW-UHFFFAOYSA-N 2 0 213.369 1.062 10 0 BDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2C[C@@H]2C)O1 ZINC000104423848 170121288 /nfs/dbraw/zinc/12/12/88/170121288.db2.gz SOOBHGPHHOCYQJ-XDQVBPFNSA-N 2 0 240.391 1.731 10 0 BDAERP CC[NH2+]C[C@H](C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973258 170122186 /nfs/dbraw/zinc/12/21/86/170122186.db2.gz USEUNVSWSRZLJS-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+]C[C@H]1CC[C@@H](COCCC[NH+](C)C)O1 ZINC000052672629 170123406 /nfs/dbraw/zinc/12/34/06/170123406.db2.gz GWWZWKKHJJUNLE-OLZOCXBDSA-N 2 0 244.379 1.112 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCCOCC1 ZINC000061934631 170151202 /nfs/dbraw/zinc/15/12/02/170151202.db2.gz CLUXPCCXNMIUCY-QWHCGFSZSA-N 2 0 226.364 1.487 10 0 BDAERP CC[NH2+][C@H](C)CN(CC[NH+](C)C)CC(C)C ZINC000044472601 170157244 /nfs/dbraw/zinc/15/72/44/170157244.db2.gz YZSPSVVFGYKSLZ-CYBMUJFWSA-N 2 0 229.412 1.504 10 0 BDAERP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000104420283 170158629 /nfs/dbraw/zinc/15/86/29/170158629.db2.gz UMVHJIDKZMECFY-SYQHCUMBSA-N 2 0 240.391 1.610 10 0 BDAERP CC[NH2+][C@H]1CCN([C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC000049714254 170168267 /nfs/dbraw/zinc/16/82/67/170168267.db2.gz FOTPOAGFLFXOAC-IHRRRGAJSA-N 2 0 241.423 1.647 10 0 BDAERP c1ccc2c(c1)ccnc2NC[C@H]1C[NH2+]CCO1 ZINC000132071486 411755045 /nfs/dbraw/zinc/75/50/45/411755045.db2.gz FJBITCHXSUJWSA-GFCCVEGCSA-N 2 0 243.310 1.635 10 0 BDAERP CC[N@@H+]1CCCO[C@@H](c2ccnc(N)c2)C1 ZINC000616653866 411854732 /nfs/dbraw/zinc/85/47/32/411854732.db2.gz WXSVFRCTQXLVIX-LLVKDONJSA-N 2 0 221.304 1.447 10 0 BDAERP CC[C@@H]1CCN(C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000049665925 171008936 /nfs/dbraw/zinc/00/89/36/171008936.db2.gz ZVKOZKPERRHMFF-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP CC[C@@H]1C[N@H+](CCCC[NH2+]CCOC)CCO1 ZINC000053499156 171078454 /nfs/dbraw/zinc/07/84/54/171078454.db2.gz IJSNUUOGMOQYJW-CYBMUJFWSA-N 2 0 244.379 1.113 10 0 BDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000237073748 171371649 /nfs/dbraw/zinc/37/16/49/171371649.db2.gz JZFSRKSQRGXIGF-QJPTWQEYSA-N 2 0 243.395 1.206 10 0 BDAERP C[C@]1(C[NH2+]C2CCC([NH3+])CC2)CC1(F)F ZINC000665264540 412206910 /nfs/dbraw/zinc/20/69/10/412206910.db2.gz BIMRZDQWTMTVEF-UDNWOFFPSA-N 2 0 218.291 1.891 10 0 BDAERP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000665264548 412206954 /nfs/dbraw/zinc/20/69/54/412206954.db2.gz BJYPFZMFWYWVCK-JHJVBQTASA-N 2 0 226.364 1.676 10 0 BDAERP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1(F)F ZINC000665265009 412208511 /nfs/dbraw/zinc/20/85/11/412208511.db2.gz NTZTWAUQVOVTJO-UWVGGRQHSA-N 2 0 218.291 1.763 10 0 BDAERP CO[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000665276158 412218434 /nfs/dbraw/zinc/21/84/34/412218434.db2.gz ZKMWSFYBJDILEC-KBPBESRZSA-N 2 0 240.391 1.923 10 0 BDAERP CC[C@H]1CN(CCC[NH+](C)C)[C@@H](CC)C[NH2+]1 ZINC000083089086 171657444 /nfs/dbraw/zinc/65/74/44/171657444.db2.gz WCZDVRCVLGDNEX-STQMWFEESA-N 2 0 227.396 1.401 10 0 BDAERP CCc1nc2c(c(NCCCC[NH3+])n1)CCC2 ZINC000057328886 172009276 /nfs/dbraw/zinc/00/92/76/172009276.db2.gz WWXRJTUSSAUKHC-UHFFFAOYSA-N 2 0 234.347 1.679 10 0 BDAERP CCn1cc[nH+]c1N[C@@H]1CCC[N@H+](C)C1 ZINC000050614147 172227004 /nfs/dbraw/zinc/22/70/04/172227004.db2.gz TUEMGDAWJMCTBN-SNVBAGLBSA-N 2 0 208.309 1.409 10 0 BDAERP CCn1cc[nH+]c1NC[C@H]1CCC[N@H+](C)C1 ZINC000050614275 172227438 /nfs/dbraw/zinc/22/74/38/172227438.db2.gz GBTFMYITLZKQPQ-LLVKDONJSA-N 2 0 222.336 1.657 10 0 BDAERP C[NH+](C)C[C@H]1CCCN1CC1([NH3+])CCCCC1 ZINC000061652418 172495872 /nfs/dbraw/zinc/49/58/72/172495872.db2.gz LJTPIPZPLOOYCN-CYBMUJFWSA-N 2 0 239.407 1.674 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052206404 173008056 /nfs/dbraw/zinc/00/80/56/173008056.db2.gz FQKRCIDGSRBXIP-MJBXVCDLSA-N 2 0 240.391 1.754 10 0 BDAERP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc[nH]2)C1 ZINC000051789651 173041061 /nfs/dbraw/zinc/04/10/61/173041061.db2.gz QIBPUYORQSJGHX-LLVKDONJSA-N 2 0 207.321 1.446 10 0 BDAERP C[N@@H+]1CCC[C@H](COc2ccc(C[NH3+])cc2)C1 ZINC000020352308 173042705 /nfs/dbraw/zinc/04/27/05/173042705.db2.gz RCUYDNKLJLGTMD-ZDUSSCGKSA-N 2 0 234.343 1.866 10 0 BDAERP CN([C@@H](C[NH3+])c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000053205502 173045020 /nfs/dbraw/zinc/04/50/20/173045020.db2.gz XNKULCGGURGWAX-GJZGRUSLSA-N 2 0 247.386 1.712 10 0 BDAERP C[NH+]1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000035619401 173084864 /nfs/dbraw/zinc/08/48/64/173084864.db2.gz KYUKGBMNKPAVKF-CQSZACIVSA-N 2 0 233.359 1.108 10 0 BDAERP C[NH+]1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000019391972 173086296 /nfs/dbraw/zinc/08/62/96/173086296.db2.gz TYHGNWSPCFNVQO-UHFFFAOYSA-N 2 0 237.322 1.032 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815696 173147541 /nfs/dbraw/zinc/14/75/41/173147541.db2.gz LBFUYAIJPIACGG-CQSZACIVSA-N 2 0 248.370 1.997 10 0 BDAERP C[N@@H+]1C[C@H]2C[C@@]2(c2ccc(C[NH3+])cc2)C1 ZINC000238315088 173199609 /nfs/dbraw/zinc/19/96/09/173199609.db2.gz PSKOEGJEINUYCI-OLZOCXBDSA-N 2 0 202.301 1.348 10 0 BDAERP C[NH2+]C(C)(C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000061319683 173319155 /nfs/dbraw/zinc/31/91/55/173319155.db2.gz ROSXUIQTEUYWJO-UHFFFAOYSA-N 2 0 227.396 1.401 10 0 BDAERP C[NH2+]CCC[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942441 173349907 /nfs/dbraw/zinc/34/99/07/173349907.db2.gz GTVCPWWYDUVBCF-ZIAGYGMSSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH2+]C[C@H](C)C[N@@H+]1CCCSCC1 ZINC000052371003 173375399 /nfs/dbraw/zinc/37/53/99/173375399.db2.gz QMLMXCJLCPMRNJ-JTQLQIEISA-N 2 0 202.367 1.281 10 0 BDAERP C[NH2+]C[C@H]1CCCCN1CC[NH+]1CCCCC1 ZINC000063169164 173377844 /nfs/dbraw/zinc/37/78/44/173377844.db2.gz MEKJTRGBOXPQSH-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382034 173382598 /nfs/dbraw/zinc/38/25/98/173382598.db2.gz WULNUVZJAQTXLN-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823134 173382804 /nfs/dbraw/zinc/38/28/04/173382804.db2.gz JVRHZYQFTCMPBO-CHWSQXEVSA-N 2 0 240.391 1.875 10 0 BDAERP C[NH2+]Cc1cccc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654314 173389543 /nfs/dbraw/zinc/38/95/43/173389543.db2.gz ITPWWRFRGWJEHA-CYBMUJFWSA-N 2 0 248.374 1.331 10 0 BDAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCCOCC1 ZINC000061935892 173390238 /nfs/dbraw/zinc/39/02/38/173390238.db2.gz DSNXOOOXVFWKFA-UHFFFAOYSA-N 2 0 234.343 1.628 10 0 BDAERP C[NH2+]Cc1ccnc(OCC[NH+]2CCCC2)c1 ZINC000051548897 173391609 /nfs/dbraw/zinc/39/16/09/173391609.db2.gz LMZRYPYWPSSQMW-UHFFFAOYSA-N 2 0 235.331 1.276 10 0 BDAERP C[NH2+][C@@H]1CCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815193 173434567 /nfs/dbraw/zinc/43/45/67/173434567.db2.gz ORCHYVGRACIXBB-CHWSQXEVSA-N 2 0 225.380 1.153 10 0 BDAERP COC1CC[NH+](Cc2cccnc2C[NH3+])CC1 ZINC000061656539 174030232 /nfs/dbraw/zinc/03/02/32/174030232.db2.gz UCBAIIDHORAPNI-UHFFFAOYSA-N 2 0 235.331 1.151 10 0 BDAERP COCCC[N@H+](CCOC)C1CCC([NH3+])CC1 ZINC000055144574 174223420 /nfs/dbraw/zinc/22/34/20/174223420.db2.gz XXZNPAXBSTULTH-UHFFFAOYSA-N 2 0 244.379 1.241 10 0 BDAERP COCC[NH2+]Cc1sccc1C[NH+](C)C ZINC000045205668 174336628 /nfs/dbraw/zinc/33/66/28/174336628.db2.gz LJUJQIGGXOXHSP-UHFFFAOYSA-N 2 0 228.361 1.546 10 0 BDAERP COc1cc([C@H](C)[NH3+])ccc1OCC[NH+](C)C ZINC000022222651 175015310 /nfs/dbraw/zinc/01/53/10/175015310.db2.gz GYKXSJRNJVCHTA-JTQLQIEISA-N 2 0 238.331 1.655 10 0 BDAERP COc1ccc(CC[NH+]2CCC[NH2+]CCC2)cc1 ZINC000049663492 175090796 /nfs/dbraw/zinc/09/07/96/175090796.db2.gz RXZVOEKZACRPAC-UHFFFAOYSA-N 2 0 248.370 1.923 10 0 BDAERP COc1ccc(OCC[NH+](C)C)c(CC[NH3+])c1 ZINC000037719981 175172824 /nfs/dbraw/zinc/17/28/24/175172824.db2.gz UPQLJWMCEPBYOC-UHFFFAOYSA-N 2 0 238.331 1.137 10 0 BDAERP COc1ccc([C@@H](C[NH3+])C[NH+](C)C)c(OC)c1 ZINC000041280550 175178659 /nfs/dbraw/zinc/17/86/59/175178659.db2.gz HATDJMHNDABLOM-JTQLQIEISA-N 2 0 238.331 1.308 10 0 BDAERP COc1cccc(C[NH3+])c1OCC[NH+](C)C ZINC000011801160 175257470 /nfs/dbraw/zinc/25/74/70/175257470.db2.gz LSLZYNJNDMTAOF-UHFFFAOYSA-N 2 0 224.304 1.094 10 0 BDAERP COc1cccc(C[C@@H]2C[N@H+](C)CC[C@H]2[NH3+])c1 ZINC000036352054 175271538 /nfs/dbraw/zinc/27/15/38/175271538.db2.gz BBMMDMHFHHAQRZ-TZMCWYRMSA-N 2 0 234.343 1.517 10 0 BDAERP COc1ccccc1C[N@H+](C)[C@H](C)CC[NH3+] ZINC000042441518 175326363 /nfs/dbraw/zinc/32/63/63/175326363.db2.gz DSURYQQXCNWFBN-LLVKDONJSA-N 2 0 222.332 1.864 10 0 BDAERP COc1ccccc1[C@@H](C[NH3+])CC[NH+](C)C ZINC000041241358 175345938 /nfs/dbraw/zinc/34/59/38/175345938.db2.gz VGILBXDKZFMNQE-LLVKDONJSA-N 2 0 222.332 1.689 10 0 BDAERP C[C@@H]1CCC[N@H+](Cc2cccnc2C[NH3+])C1 ZINC000061656419 176102082 /nfs/dbraw/zinc/10/20/82/176102082.db2.gz IEIZYYYBVBTJLM-LLVKDONJSA-N 2 0 219.332 1.772 10 0 BDAERP C[C@@H]1CC[N@@H+](C2CCOCC2)CCC[NH2+]1 ZINC000049666365 176166645 /nfs/dbraw/zinc/16/66/45/176166645.db2.gz IGJNGTFSWGDKFP-LLVKDONJSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1CCN(CCC[NH+](C)C)CCC[NH2+]1 ZINC000049666091 176168407 /nfs/dbraw/zinc/16/84/07/176168407.db2.gz JDLHKDYZWWPUJM-GFCCVEGCSA-N 2 0 213.369 1.012 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCn1ccnc1 ZINC000042427519 176224319 /nfs/dbraw/zinc/22/43/19/176224319.db2.gz NSKIDNQVPWKJAO-CHWSQXEVSA-N 2 0 236.363 1.332 10 0 BDAERP C[C@@H]1CSC(NC2CC[NH+](C)CC2)=[NH+]1 ZINC000035295404 176349021 /nfs/dbraw/zinc/34/90/21/176349021.db2.gz CSQSNSWEEZUSTB-MRVPVSSYSA-N 2 0 213.350 1.162 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000044518811 176371731 /nfs/dbraw/zinc/37/17/31/176371731.db2.gz CQDAQLZPHNAMQF-YPMHNXCESA-N 3 0 225.380 1.140 10 0 BDAERP C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC[NH+](C)C ZINC000126088755 177001601 /nfs/dbraw/zinc/00/16/01/177001601.db2.gz DXUKSNYFFLTRBY-QWHCGFSZSA-N 2 0 228.380 1.564 10 0 BDAERP C[C@H](c1cnn(C)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512401 177052377 /nfs/dbraw/zinc/05/23/77/177052377.db2.gz AHBUXIYSXKNBTE-SNVBAGLBSA-N 2 0 222.336 1.152 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCC[NH+]1CC[C@@H](CO)C1 ZINC000101305772 177074944 /nfs/dbraw/zinc/07/49/44/177074944.db2.gz USNLPSRFNIQQTD-UONOGXRCSA-N 2 0 240.391 1.565 10 0 BDAERP C[C@H]1CCCC[C@]1(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217747 177090222 /nfs/dbraw/zinc/09/02/22/177090222.db2.gz HKJGBXOBIKXYGI-UONOGXRCSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@H]1CCC[N@@H+]1CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052375929 177108994 /nfs/dbraw/zinc/10/89/94/177108994.db2.gz QAEZUSCQVFNYMW-NSHDSACASA-N 2 0 249.362 1.014 10 0 BDAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](C2CCOCC2)C1 ZINC000049666380 177157659 /nfs/dbraw/zinc/15/76/59/177157659.db2.gz WETDZZSOPYUFHB-NEPJUHHUSA-N 2 0 226.364 1.485 10 0 BDAERP C[C@@H]1C[N@@H+](CCC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000052764272 177249427 /nfs/dbraw/zinc/24/94/27/177249427.db2.gz KLZRNZMANCKQQR-XQQFMLRXSA-N 2 0 226.364 1.628 10 0 BDAERP C[C@H]1C[N@H+](CCc2ccco2)CC[C@@H]1[NH3+] ZINC000049713500 177256409 /nfs/dbraw/zinc/25/64/09/177256409.db2.gz CLSBHJRVFZTYPK-JQWIXIFHSA-N 2 0 208.305 1.491 10 0 BDAERP C[C@H]1C[N@H+](Cc2ccoc2C[NH3+])CCCO1 ZINC000061935410 177267863 /nfs/dbraw/zinc/26/78/63/177267863.db2.gz KBZYMZAIQRCTLZ-JTQLQIEISA-N 2 0 224.304 1.349 10 0 BDAERP C[C@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](C)C2)S1 ZINC000044538320 177281222 /nfs/dbraw/zinc/28/12/22/177281222.db2.gz SRCNHYBCDYBNQM-VHSXEESVSA-N 2 0 227.377 1.409 10 0 BDAERP C[C@H]1C[NH+]=C(NC[C@H]2CCCC[N@@H+]2C)S1 ZINC000044563808 177281555 /nfs/dbraw/zinc/28/15/55/177281555.db2.gz QBKGGEXBVYVDPG-VHSXEESVSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000035776440 177290687 /nfs/dbraw/zinc/29/06/87/177290687.db2.gz RBOJJZCGKITCGY-NSHDSACASA-N 2 0 212.337 1.097 10 0 BDAERP C[C@H]1C[C@H](C)C[NH+](CC2(C[NH3+])CCOCC2)C1 ZINC000052180577 177358182 /nfs/dbraw/zinc/35/81/82/177358182.db2.gz UVNLZVLPQNIUCR-STQMWFEESA-N 2 0 240.391 1.720 10 0 BDAERP C[C@H]([NH2+]CCCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000400340495 225016643 /nfs/dbraw/zinc/01/66/43/225016643.db2.gz GNECFCXCXJXGQD-DTWKUNHWSA-N 2 0 224.270 1.917 10 0 BDAERP Cc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400435505 226343447 /nfs/dbraw/zinc/34/34/47/226343447.db2.gz LCRMZRAZUNWVKM-UONOGXRCSA-N 2 0 248.370 1.961 10 0 BDAERP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400591920 226347898 /nfs/dbraw/zinc/34/78/98/226347898.db2.gz UOOYVGNVOUEOQJ-STQMWFEESA-N 2 0 225.380 1.060 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCSC1)[C@@H]1CC[NH2+]C1 ZINC000400729972 226350371 /nfs/dbraw/zinc/35/03/71/226350371.db2.gz QHHYIHUGZOKCQC-QJPTWQEYSA-N 2 0 228.405 1.717 10 0 BDAERP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400721346 226350620 /nfs/dbraw/zinc/35/06/20/226350620.db2.gz ONTQVTPYOSYLJR-SDDRHHMPSA-N 2 0 214.353 1.245 10 0 BDAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400737262 226350764 /nfs/dbraw/zinc/35/07/64/226350764.db2.gz RYSGSXKJARBVCJ-KCJUWKMLSA-N 2 0 239.388 1.848 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+]C1CCC([NH3+])CC1 ZINC000324604803 262792733 /nfs/dbraw/zinc/79/27/33/262792733.db2.gz KADIJRWRMKGZRC-VQXHTEKXSA-N 2 0 214.353 1.253 10 0 BDAERP CC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566555656 323004867 /nfs/dbraw/zinc/00/48/67/323004867.db2.gz HHSTZZZSDOQOFC-UTUOFQBUSA-N 2 0 214.353 1.125 10 0 BDAERP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000562956982 323035090 /nfs/dbraw/zinc/03/50/90/323035090.db2.gz DQTPEZOMEBKYMZ-CYZMBNFOSA-N 2 0 226.364 1.389 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000562957166 323035150 /nfs/dbraw/zinc/03/51/50/323035150.db2.gz SHZHLUBXNCDHKN-CYZMBNFOSA-N 2 0 226.364 1.125 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000562958363 323035212 /nfs/dbraw/zinc/03/52/12/323035212.db2.gz CGUJUMQQLUUZJC-MROQNXINSA-N 2 0 240.391 1.778 10 0 BDAERP COCCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958355 323035268 /nfs/dbraw/zinc/03/52/68/323035268.db2.gz AYMKCRWYYAUHQF-OLZOCXBDSA-N 2 0 228.380 1.781 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569684496 323036770 /nfs/dbraw/zinc/03/67/70/323036770.db2.gz GWMBBIBUZAYBJV-HZSPNIEDSA-N 2 0 241.423 1.693 10 0 BDAERP C[C@@H]([NH2+]CCN1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000570507932 323061609 /nfs/dbraw/zinc/06/16/09/323061609.db2.gz UUHORMSPDROIBN-KGLIPLIRSA-N 2 0 237.391 1.226 10 0 BDAERP CC(C)(C)C[C@@H](CO)[NH2+]C1CCC([NH3+])CC1 ZINC000393462578 323097554 /nfs/dbraw/zinc/09/75/54/323097554.db2.gz BSAKHQRIAWFDAE-MCIGGMRASA-N 2 0 228.380 1.643 10 0 BDAERP CSCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000572510443 324136875 /nfs/dbraw/zinc/13/68/75/324136875.db2.gz JGRMGCGWTGQYJO-QWRGUYRKSA-N 2 0 216.394 1.717 10 0 BDAERP C[C@H]([NH2+][C@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000566555622 326063421 /nfs/dbraw/zinc/06/34/21/326063421.db2.gz BZCMYRVYNPCPMF-GXFFZTMASA-N 2 0 226.364 1.125 10 0 BDAERP COC[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000049799936 488027459 /nfs/dbraw/zinc/02/74/59/488027459.db2.gz JBUFIYIOIDQKNW-VXGBXAGGSA-N 2 0 214.353 1.485 10 0 BDAERP COCC1(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000656200765 488066091 /nfs/dbraw/zinc/06/60/91/488066091.db2.gz QCCZNBSPXWVCHO-UHFFFAOYSA-N 2 0 212.337 1.273 10 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CCC[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)OC ZINC000400356863 528154439 /nfs/dbraw/zinc/15/44/39/528154439.db2.gz AUJHEZJGOHKVQF-SDDRHHMPSA-N 2 0 214.353 1.389 10 0 BDAERP CC(C)CSCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400466929 528226641 /nfs/dbraw/zinc/22/66/41/528226641.db2.gz WHORPRQFAJPTEH-NWDGAFQWSA-N 2 0 230.421 1.963 10 0 BDAERP CCOCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400769761 528569252 /nfs/dbraw/zinc/56/92/52/528569252.db2.gz ZVNWEWPGOCYCNS-RYUDHWBXSA-N 2 0 228.380 1.637 10 0 BDAERP CCC(CC)(CO)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400747433 528707842 /nfs/dbraw/zinc/70/78/42/528707842.db2.gz UTUGANCAHLESMO-NEPJUHHUSA-N 2 0 228.380 1.373 10 0 BDAERP CCC(O)(CC)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400336799 528975325 /nfs/dbraw/zinc/97/53/25/528975325.db2.gz DNUXVMHXSBENIX-WDEREUQCSA-N 2 0 214.353 1.125 10 0 BDAERP CCOC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400732502 528993883 /nfs/dbraw/zinc/99/38/83/528993883.db2.gz QYNFDZUMEHJDPP-XQQFMLRXSA-N 2 0 228.380 1.635 10 0 BDAERP CC(C)[N@H+](C)CCCN[C@@H]1CCC[NH2+]CC1 ZINC000226330549 535003255 /nfs/dbraw/zinc/00/32/55/535003255.db2.gz DBJPHMMXLPPTCM-CYBMUJFWSA-N 2 0 227.396 1.448 10 0 BDAERP CC[NH+]1CCN(c2cccc(F)c2C[NH3+])CC1 ZINC000071548032 535750477 /nfs/dbraw/zinc/75/04/77/535750477.db2.gz KJTAZYAFVKPQDY-UHFFFAOYSA-N 2 0 237.322 1.426 10 0 BDAERP C[NH+](C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253279805 535832910 /nfs/dbraw/zinc/83/29/10/535832910.db2.gz KENJWOQUIHBSQR-MGPQQGTHSA-N 2 0 240.391 1.564 10 0 BDAERP CN1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000167994824 536344055 /nfs/dbraw/zinc/34/40/55/536344055.db2.gz HXKMPLSNZGRFNO-WCQYABFASA-N 2 0 226.364 1.221 10 0 BDAERP CC(C)[NH+]1CCN([C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396718808 583089198 /nfs/dbraw/zinc/08/91/98/583089198.db2.gz PMGJPXKZHHFJKA-QWHCGFSZSA-N 2 0 225.380 1.153 10 0 BDAERP Cc1cn2c([nH+]1)N[C@H]([C@H]1CCC[NH2+]C1)CC2 ZINC000236043902 582637665 /nfs/dbraw/zinc/63/76/65/582637665.db2.gz UTABVZKAPWAVNZ-QWRGUYRKSA-N 2 0 220.320 1.375 10 0 BDAERP C[C@H]1C[NH2+]C[C@@]2(CCCN2CCC[NH+](C)C)C1 ZINC000757134973 586427065 /nfs/dbraw/zinc/42/70/65/586427065.db2.gz XNMNNMPUOMILEB-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP C[C@@H]1C[C@@H](c2ccc(C[NH3+])cc2)NC[C@H]1[NH3+] ZINC000757206653 586437560 /nfs/dbraw/zinc/43/75/60/586437560.db2.gz AFUKMPHIORNNIF-WQAKAFBOSA-N 3 0 219.332 1.143 10 0 BDAERP CC(=O)c1cccc([C@H]2C[NH2+]C[C@@H](C[NH3+])C2)c1 ZINC000757212328 586439656 /nfs/dbraw/zinc/43/96/56/586439656.db2.gz IIKGPQHBOVZNIF-BXUZGUMPSA-N 2 0 232.327 1.541 10 0 BDAERP CC(=O)c1ccc([C@@H]2C[NH2+]C[C@H](C[NH3+])C2)cc1 ZINC000757214176 586440427 /nfs/dbraw/zinc/44/04/27/586440427.db2.gz LNCOSNKVFZMPIU-FZMZJTMJSA-N 2 0 232.327 1.541 10 0 BDAERP [NH3+]C[C@H]1CC[NH2+][C@H](c2ccc(C=O)s2)C1 ZINC000757218141 586441552 /nfs/dbraw/zinc/44/15/52/586441552.db2.gz UCXXZXRPNIWGCD-WPRPVWTQSA-N 2 0 224.329 1.560 10 0 BDAERP [NH3+]Cc1cccc([C@H]2[NH2+]CCC[C@H]2C[NH3+])c1 ZINC000757219335 586442106 /nfs/dbraw/zinc/44/21/06/586442106.db2.gz WWQPLEQMRRFRKS-QWHCGFSZSA-N 3 0 219.332 1.145 10 0 BDAERP C[C@@H]1CCN[C@@H](c2cccc(C[NH3+])c2)[C@@H]1[NH3+] ZINC000757220255 586442113 /nfs/dbraw/zinc/44/21/13/586442113.db2.gz XPNMWCXEYJNJLV-WQAKAFBOSA-N 2 0 219.332 1.143 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1N[C@H](C)CC[C@@H]1[NH3+] ZINC000757228367 586442648 /nfs/dbraw/zinc/44/26/48/586442648.db2.gz CJNJHUYNNJOXHA-ICCXJUOJSA-N 2 0 219.332 1.718 10 0 BDAERP Cc1ccc(N)cc1[C@H]1CC[C@@H](C[NH3+])C[NH2+]1 ZINC000757235809 586443923 /nfs/dbraw/zinc/44/39/23/586443923.db2.gz MWODRRQIXXHZIW-GXFFZTMASA-N 2 0 219.332 1.577 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1CC[C@@H](CC[NH3+])C[NH2+]1 ZINC000757238484 586444394 /nfs/dbraw/zinc/44/43/94/586444394.db2.gz SBTWBSLXQQXFNE-FZMZJTMJSA-N 2 0 233.359 1.967 10 0 BDAERP C([C@H]1CCCO1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257722687 634480831 /nfs/dbraw/zinc/48/08/31/634480831.db2.gz VYBHJVZIKRYIIW-CHWSQXEVSA-N 2 0 224.348 1.241 10 0 BDAERP C[C@H]1[NH2+]CCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000396706791 634078318 /nfs/dbraw/zinc/07/83/18/634078318.db2.gz JVXVKPUKUGFPEY-DGCLKSJQSA-N 2 0 225.380 1.153 10 0 BDAERP CC[NH2+]CC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000053658937 634289150 /nfs/dbraw/zinc/28/91/50/634289150.db2.gz ZIVVVEJQAPJCSS-CYBMUJFWSA-N 2 0 226.364 1.487 10 0 BDAERP CSCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000228880423 640902514 /nfs/dbraw/zinc/90/25/14/640902514.db2.gz SXTCJGKAEXDKDI-KPPDAEKUSA-N 2 0 216.394 1.988 10 0 BDAERP C[NH+](C)C[C@@](C)(O)C[NH2+]CCc1ccccc1 ZINC000232017863 641232830 /nfs/dbraw/zinc/23/28/30/641232830.db2.gz RZUZYZSCXLXPPO-AWEZNQCLSA-N 2 0 236.359 1.131 10 0 BDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000071190950 643106746 /nfs/dbraw/zinc/10/67/46/643106746.db2.gz ZKNMXJOIOLOPBS-KGLIPLIRSA-N 3 0 239.407 1.260 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132707 643258117 /nfs/dbraw/zinc/25/81/17/643258117.db2.gz RPUHSDKTTIIYPQ-MJBXVCDLSA-N 2 0 240.391 1.733 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757142434 643303706 /nfs/dbraw/zinc/30/37/06/643303706.db2.gz LFQZTSFZOQCFPT-GXSJLCMTSA-N 2 0 234.290 1.442 10 0 BDAERP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000082475009 643319081 /nfs/dbraw/zinc/31/90/81/643319081.db2.gz AIQJTXZIMMJQMS-PWSUYJOCSA-N 2 0 212.337 1.225 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082539985 643337854 /nfs/dbraw/zinc/33/78/54/643337854.db2.gz PZLVXZPEZITIJS-LBPRGKRZSA-N 2 0 224.348 1.241 10 0 BDAERP C[C@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1N(C)C ZINC000251876851 644828535 /nfs/dbraw/zinc/82/85/35/644828535.db2.gz UMAAJOHJSSLERS-UONOGXRCSA-N 2 0 241.423 1.778 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000722312386 711734744 /nfs/dbraw/zinc/73/47/44/711734744.db2.gz KUMWMRSDBFXJST-CHWSQXEVSA-N 2 0 224.348 1.286 10 0 BDAERP CC(C)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000669383278 711790001 /nfs/dbraw/zinc/79/00/01/711790001.db2.gz QXASCBWDLAHMMH-VXGBXAGGSA-N 2 0 212.337 1.095 10 0 BDAERP C[N@@H+]1CCN(C[C@@H]2CCC[NH2+]C2)CCC1(C)C ZINC000712606276 712436892 /nfs/dbraw/zinc/43/68/92/712436892.db2.gz VHDQQWCCCZTFKG-CYBMUJFWSA-N 2 0 239.407 1.402 10 0 BDAERP COCC1CC([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000713954100 712474641 /nfs/dbraw/zinc/47/46/41/712474641.db2.gz VGQSBSYJTKJFPZ-XVSSEFHLSA-N 2 0 226.364 1.532 10 0 BDAERP COCC1CC([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000714006637 712477165 /nfs/dbraw/zinc/47/71/65/712477165.db2.gz MEOTXGKIZOFXKV-VOMCLLRMSA-N 2 0 214.353 1.519 10 0 BDAERP CCC[NH+]1CCC([NH2+]C2CC(COC)C2)CC1 ZINC000713962433 712475165 /nfs/dbraw/zinc/47/51/65/712475165.db2.gz WWIBKFPKCCPTRI-UHFFFAOYSA-N 2 0 240.391 1.875 10 0 BDAERP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000723633750 711527983 /nfs/dbraw/zinc/52/79/83/711527983.db2.gz LNVUHCZNLMXOJH-SRVKXCTJSA-N 2 0 235.331 1.461 10 0 BDAERP Cc1nc(C)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000723646508 711529910 /nfs/dbraw/zinc/52/99/10/711529910.db2.gz IISWPGSUJOZWBF-KWQFWETISA-N 2 0 223.320 1.318 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000722312389 711734531 /nfs/dbraw/zinc/73/45/31/711734531.db2.gz KUMWMRSDBFXJST-OLZOCXBDSA-N 2 0 224.348 1.286 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000711248899 712291377 /nfs/dbraw/zinc/29/13/77/712291377.db2.gz JNWSUMCVKZNQGJ-AVGNSLFASA-N 2 0 240.391 1.779 10 0 BDAERP C=C/C=C/CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000713735414 712470401 /nfs/dbraw/zinc/47/04/01/712470401.db2.gz NYZJAHMDNJTXCX-UVHMRBEPSA-N 2 0 206.333 1.788 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H](C)[C@H]2CCCO2)CC1 ZINC000714754879 712497619 /nfs/dbraw/zinc/49/76/19/712497619.db2.gz YWYVVNNOTHXWLI-NWDGAFQWSA-N 2 0 226.364 1.757 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H](C)[C@H]2CCCO2)CC1 ZINC000714754882 712497730 /nfs/dbraw/zinc/49/77/30/712497730.db2.gz YWYVVNNOTHXWLI-VXGBXAGGSA-N 2 0 226.364 1.757 10 0 BDAERP C[C@@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C[NH3+] ZINC000714799524 712498570 /nfs/dbraw/zinc/49/85/70/712498570.db2.gz JVZNOJXVMRMKLX-ZZVYKPCYSA-N 2 0 222.376 1.949 10 0 BDAERP CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000717284192 712644882 /nfs/dbraw/zinc/64/48/82/712644882.db2.gz LJTSSCIMSJWMIS-QWHCGFSZSA-N 2 0 240.391 1.923 10 0 BDAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)nn1 ZINC000720578102 712853775 /nfs/dbraw/zinc/85/37/75/712853775.db2.gz BBDBBEMROFIVSI-YUTCNCBUSA-N 2 0 246.358 1.263 10 0 BDAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCSC2 ZINC000685952683 538896821 /nfs/dbraw/zinc/89/68/21/538896821.db2.gz CBPPPMBIHPJTRS-GHMZBOCLSA-N 2 0 214.378 1.694 10 0 BDAERP Cc1ccc(C[C@@H]2C[N@H+](C)CC[C@@H]2[NH3+])cc1 ZINC000036352047 343978913 /nfs/dbraw/zinc/97/89/13/343978913.db2.gz ZXIGWTDJDQHKDK-KGLIPLIRSA-N 2 0 218.344 1.817 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000386453392 398209997 /nfs/dbraw/zinc/20/99/97/398209997.db2.gz OGFQMCBGIYHZJR-RNJOBUHISA-N 2 0 226.364 1.410 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCSCC2 ZINC000606282895 538929657 /nfs/dbraw/zinc/92/96/57/538929657.db2.gz FPBIGKVTAPOQBA-SNVBAGLBSA-N 2 0 214.378 1.695 10 0 BDAERP CCC(CC)N(C)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000036788768 168367126 /nfs/dbraw/zinc/36/71/26/168367126.db2.gz CJYMVMLIGNTBES-UHFFFAOYSA-N 2 0 241.423 1.920 10 0 BDAERP C[C@H]([NH2+]CCCCF)[C@H]1CCC[NH2+]C1 ZINC000566088833 398253484 /nfs/dbraw/zinc/25/34/84/398253484.db2.gz VMYWBYMRGGJKEZ-QWRGUYRKSA-N 2 0 202.317 1.714 10 0 BDAERP FC1(F)CCCC[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381701288 398254751 /nfs/dbraw/zinc/25/47/51/398254751.db2.gz OVBIAVFMWYLHQJ-GRYCIOLGSA-N 2 0 244.329 1.963 10 0 BDAERP C[C@H]1CC[C@@H](O)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000647997422 398255324 /nfs/dbraw/zinc/25/53/24/398255324.db2.gz BOFBDHWWDRXIQS-WCQYABFASA-N 2 0 226.364 1.221 10 0 BDAERP FC1(F)CCCC[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381701293 398270230 /nfs/dbraw/zinc/27/02/30/398270230.db2.gz OVBIAVFMWYLHQJ-TUAOUCFPSA-N 2 0 244.329 1.963 10 0 BDAERP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000185223800 538970400 /nfs/dbraw/zinc/97/04/00/538970400.db2.gz BTVFETGANIYEAW-ZDUSSCGKSA-N 2 0 245.330 1.579 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]1[N@@H+]1CCCSCC1 ZINC000042444482 362000435 /nfs/dbraw/zinc/00/04/35/362000435.db2.gz ZNISZUCQEKNHOK-ZJUUUORDSA-N 2 0 200.351 1.305 10 0 BDAERP [NH3+]C1CCN(CC(=O)C2CCCC2)CC1 ZINC000164986676 342863076 /nfs/dbraw/zinc/86/30/76/342863076.db2.gz OEDIFQCRWYSSIY-UHFFFAOYSA-N 2 0 210.321 1.169 10 0 BDAERP c1ccc2c(c1)C[C@@H]2C[NH2+]C1CC[NH2+]CC1 ZINC000038041447 398335755 /nfs/dbraw/zinc/33/57/55/398335755.db2.gz DVLNXSDQLSWZPM-GFCCVEGCSA-N 2 0 216.328 1.668 10 0 BDAERP C[C@H]([NH2+]CCc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000580312132 346893285 /nfs/dbraw/zinc/89/32/85/346893285.db2.gz PAOIPFJALVXHIZ-JSGCOSHPSA-N 2 0 233.359 1.602 10 0 BDAERP COC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000159220800 349757074 /nfs/dbraw/zinc/75/70/74/349757074.db2.gz SEQKNTNBLZLMAD-VHSXEESVSA-N 2 0 200.326 1.223 10 0 BDAERP C[C@H]([NH3+])[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000034936163 343280853 /nfs/dbraw/zinc/28/08/53/343280853.db2.gz OAIJBTNKFXKXQR-JSGCOSHPSA-N 2 0 233.359 1.322 10 0 BDAERP C[N@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000043501203 343780916 /nfs/dbraw/zinc/78/09/16/343780916.db2.gz RNWKFQHQUFJJKZ-SNVBAGLBSA-N 2 0 200.351 1.176 10 0 BDAERP CNc1cc(NCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000126895774 343787757 /nfs/dbraw/zinc/78/77/57/343787757.db2.gz DYYDCVHTZRZZNK-UHFFFAOYSA-N 2 0 235.335 1.369 10 0 BDAERP CC[N@H+](C1CC[NH2+]CC1)C1CCSCC1 ZINC000409425671 343820228 /nfs/dbraw/zinc/82/02/28/343820228.db2.gz BCCFHLWODSIVNI-UHFFFAOYSA-N 2 0 228.405 1.956 10 0 BDAERP C[C@H]([NH2+][C@H]1CC[C@H]([NH3+])CC1)c1ccc[nH]1 ZINC000257351906 344105607 /nfs/dbraw/zinc/10/56/07/344105607.db2.gz HVCYJXIVDRWBNC-DCAQKATOSA-N 2 0 207.321 1.935 10 0 BDAERP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400351858 344517049 /nfs/dbraw/zinc/51/70/49/344517049.db2.gz MYHJHCMZAIGNAA-OCCSQVGLSA-N 3 0 239.407 1.306 10 0 BDAERP C[C@@H]1C[C@@H](NC2=[NH+]CCS2)CC[N@@H+]1C ZINC000158710900 344730325 /nfs/dbraw/zinc/73/03/25/344730325.db2.gz LMCODEDACMHMAB-BDAKNGLRSA-N 2 0 213.350 1.162 10 0 BDAERP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000212357681 344734685 /nfs/dbraw/zinc/73/46/85/344734685.db2.gz GWBMUSWFUMWNQZ-KBPBESRZSA-N 2 0 234.343 1.218 10 0 BDAERP C[C@H]1SCC[C@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000235647485 344966445 /nfs/dbraw/zinc/96/64/45/344966445.db2.gz HMEURXZLWQQYLQ-NXEZZACHSA-N 2 0 200.351 1.176 10 0 BDAERP C[C@H]1SCC[C@]1(CN)[NH+]1CCCC1 ZINC000235665500 344974400 /nfs/dbraw/zinc/97/44/00/344974400.db2.gz AAKJVOSNXWLKGZ-NXEZZACHSA-N 2 0 200.351 1.305 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000307214520 345239950 /nfs/dbraw/zinc/23/99/50/345239950.db2.gz RUUVAZTZMDLPIK-UTLUCORTSA-N 2 0 214.378 1.740 10 0 BDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(F)F ZINC000148080557 345240113 /nfs/dbraw/zinc/24/01/13/345240113.db2.gz YAAZYEBHDRDTOA-CBLAIPOGSA-N 2 0 204.264 1.596 10 0 BDAERP Cc1n[nH]c(C)c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998192 345198530 /nfs/dbraw/zinc/19/85/30/345198530.db2.gz CBHBPTDMESUQOY-KWQFWETISA-N 2 0 222.336 1.053 10 0 BDAERP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCC[NH2+]C1 ZINC000634998654 345198544 /nfs/dbraw/zinc/19/85/44/345198544.db2.gz JDFAICYFLKSVOO-VXGBXAGGSA-N 2 0 208.349 1.908 10 0 BDAERP COC1(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000634998289 345198572 /nfs/dbraw/zinc/19/85/72/345198572.db2.gz CYQZLRRFPCUXBB-NWDGAFQWSA-N 2 0 226.364 1.472 10 0 BDAERP COCC(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999391 345199929 /nfs/dbraw/zinc/19/99/29/345199929.db2.gz UBAFIQWGPWAOTP-MNOVXSKESA-N 2 0 214.353 1.186 10 0 BDAERP CCc1nn(C)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999687 345200219 /nfs/dbraw/zinc/20/02/19/345200219.db2.gz XWZIJMMOSXQAEO-QWRGUYRKSA-N 2 0 236.363 1.009 10 0 BDAERP CCC[C@@H](CCO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635003028 345205857 /nfs/dbraw/zinc/20/58/57/345205857.db2.gz FBDFBXGNLQJUTD-NWDGAFQWSA-N 2 0 214.353 1.269 10 0 BDAERP CCC[C@H](CCO)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000635006066 345210483 /nfs/dbraw/zinc/21/04/83/345210483.db2.gz XHXXUCILHQWPIQ-GRYCIOLGSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@@H](c1cnccn1)N(C)C[C@H]1CC[NH2+]C1 ZINC000253612742 345692937 /nfs/dbraw/zinc/69/29/37/345692937.db2.gz IXNUMGCTEHUPGX-QWRGUYRKSA-N 2 0 220.320 1.079 10 0 BDAERP C[C@@H]([NH3+])Cc1c2c[nH+]ccc2n2c1CCC2 ZINC000033975564 345813936 /nfs/dbraw/zinc/81/39/36/345813936.db2.gz HVHVXSNVYIVPKS-SECBINFHSA-N 2 0 215.300 1.872 10 0 BDAERP CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@]1(O)C[NH3+] ZINC000307700345 345904077 /nfs/dbraw/zinc/90/40/77/345904077.db2.gz LWSCMQGDXGIKOZ-LSDHHAIUSA-N 2 0 248.370 1.608 10 0 BDAERP COC[C@H](C)C[NH2+]C[C@H]1CCCN1CC(C)C ZINC000188158525 346792267 /nfs/dbraw/zinc/79/22/67/346792267.db2.gz SSRVKGLYBUDOQS-ZIAGYGMSSA-N 2 0 242.407 1.979 10 0 BDAERP COc1ccc(C[C@H]2C[N@H+](C)CC[C@H]2[NH3+])cc1 ZINC000250613252 362812411 /nfs/dbraw/zinc/81/24/11/362812411.db2.gz NGBQUSZMCAZIFG-GXTWGEPZSA-N 2 0 234.343 1.517 10 0 BDAERP Cn1ccc(=[NH+]c2cc[n+](C)cc2)cc1 ZINC000149852547 347541821 /nfs/dbraw/zinc/54/18/21/347541821.db2.gz PNZKYIOBAZLLLJ-UHFFFAOYSA-N 2 0 200.265 1.082 10 0 BDAERP Cc1cccnc1N1CCC[N@H+](CCC[NH3+])CC1 ZINC000051040734 179388327 /nfs/dbraw/zinc/38/83/27/179388327.db2.gz ZGIOJEFBRCCADH-UHFFFAOYSA-N 2 0 248.374 1.251 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000251736601 362902257 /nfs/dbraw/zinc/90/22/57/362902257.db2.gz KPEOYBKZSKYBFZ-UTLUCORTSA-N 2 0 200.351 1.161 10 0 BDAERP CCSC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000596653604 348606748 /nfs/dbraw/zinc/60/67/48/348606748.db2.gz WGAFDCLSLGPWEG-WDEREUQCSA-N 2 0 228.405 1.860 10 0 BDAERP Cc1c[nH+]ccc1N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248673441 349144885 /nfs/dbraw/zinc/14/48/85/349144885.db2.gz RXWRINDYAINHGR-OLZOCXBDSA-N 2 0 249.358 1.281 10 0 BDAERP Cc1[nH+]c(N(C)C2CC[NH+](C)CC2)ccc1N ZINC000036251002 179996830 /nfs/dbraw/zinc/99/68/30/179996830.db2.gz OFPHBTRVKXGJAZ-UHFFFAOYSA-N 2 0 234.347 1.503 10 0 BDAERP Cc1nccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000038037590 180191485 /nfs/dbraw/zinc/19/14/85/180191485.db2.gz JRFBHXAVXSVTRK-NSHDSACASA-N 2 0 248.374 1.605 10 0 BDAERP Cc1nccn1CC[N@H+](CCC(N)=[NH2+])C(C)C ZINC000042529814 180252450 /nfs/dbraw/zinc/25/24/50/180252450.db2.gz PKTRUGIHBGJOSB-UHFFFAOYSA-N 2 0 237.351 1.228 10 0 BDAERP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)C1 ZINC000725264056 538090872 /nfs/dbraw/zinc/09/08/72/538090872.db2.gz BDCJBKHYIISULX-FRRDWIJNSA-N 2 0 238.375 1.615 10 0 BDAERP [NH3+]Cc1ccc2c(c1)C[N@@H+](CC1CC1)CCO2 ZINC000409424031 350475851 /nfs/dbraw/zinc/47/58/51/350475851.db2.gz WRWGKEYPQRLGJR-UHFFFAOYSA-N 2 0 232.327 1.750 10 0 BDAERP [NH3+]CCN1CC[C@@H](c2cccc3cnccc32)C1 ZINC000616611554 350809315 /nfs/dbraw/zinc/80/93/15/350809315.db2.gz GYPNESUKSJOSLO-CYBMUJFWSA-N 2 0 241.338 1.983 10 0 BDAERP CC1(C)SC[C@@H]1[NH+]1CCC([NH3+])CC1 ZINC000306712618 350874056 /nfs/dbraw/zinc/87/40/56/350874056.db2.gz ZMEDRHXXNQQGQD-VIFPVBQESA-N 2 0 200.351 1.304 10 0 BDAERP Nc1cccc([C@H]2CCCN(CC[NH3+])C2)c1 ZINC000616620626 350943991 /nfs/dbraw/zinc/94/39/91/350943991.db2.gz JGPOLMNGCLKUTF-LBPRGKRZSA-N 2 0 219.332 1.407 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000306842194 351156069 /nfs/dbraw/zinc/15/60/69/351156069.db2.gz BQRVXGVMVJYALF-SECBINFHSA-N 2 0 247.111 1.937 10 0 BDAERP [NH3+]CCN1c2ccccc2CC[C@@H]1c1c[nH]cn1 ZINC000616668414 351230600 /nfs/dbraw/zinc/23/06/00/351230600.db2.gz KNNNZRPTYNRKPP-CQSZACIVSA-N 2 0 242.326 1.862 10 0 BDAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000386584478 363017210 /nfs/dbraw/zinc/01/72/10/363017210.db2.gz IBSCDKZSCMHITK-AVGNSLFASA-N 2 0 247.342 1.259 10 0 BDAERP CS[C@H]1CCN([C@@H]2CCC[NH2+]C2)C1 ZINC000307139220 351495083 /nfs/dbraw/zinc/49/50/83/351495083.db2.gz HQKIFGOPBIMRSK-ZJUUUORDSA-N 2 0 200.351 1.176 10 0 BDAERP C[N@H+](Cc1ccccc1)[C@H]1CC[C@@]([NH3+])(CO)C1 ZINC000307159219 351509702 /nfs/dbraw/zinc/50/97/02/351509702.db2.gz UEIFDFMSGWKHLX-KBPBESRZSA-N 2 0 234.343 1.361 10 0 BDAERP C[C@H]1SCC[C@@H]1[N@H+](C)C1CC([NH3+])C1 ZINC000307245277 351753420 /nfs/dbraw/zinc/75/34/20/351753420.db2.gz MBGQGVJQQGZIQM-WOOKNIGNSA-N 2 0 200.351 1.302 10 0 BDAERP C[C@@H]1CS[C@]2(CC[N@H+](C)C[C@H]2C)[NH2+]1 ZINC000307249782 351755837 /nfs/dbraw/zinc/75/58/37/351755837.db2.gz OWWGSVCZEPSJHL-BBBLOLIVSA-N 2 0 200.351 1.379 10 0 BDAERP FC1(F)CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000307286741 351849973 /nfs/dbraw/zinc/84/99/73/351849973.db2.gz RWTRBGHJNHBQJO-RKDXNWHRSA-N 2 0 204.264 1.373 10 0 BDAERP C[C@@H]1CCC[N@@H+](C2CCN(CC[NH3+])CC2)[C@H]1C ZINC000725273881 538104786 /nfs/dbraw/zinc/10/47/86/538104786.db2.gz PUFBTIVFNBPWMY-OLZOCXBDSA-N 2 0 239.407 1.530 10 0 BDAERP C[C@H]1C[NH2+]CCC[N@H+](CCC(F)F)C1 ZINC000307663050 352748383 /nfs/dbraw/zinc/74/83/83/352748383.db2.gz IIFBJNFNTCQQIO-VIFPVBQESA-N 2 0 206.280 1.573 10 0 BDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C(C)C ZINC000234747551 363428934 /nfs/dbraw/zinc/42/89/34/363428934.db2.gz XCIJVKSEMOBPTJ-GHMZBOCLSA-N 2 0 202.342 1.374 10 0 BDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C(C)C ZINC000234809907 363431863 /nfs/dbraw/zinc/43/18/63/363431863.db2.gz XCIJVKSEMOBPTJ-MNOVXSKESA-N 2 0 202.342 1.374 10 0 BDAERP Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000530217226 324533577 /nfs/dbraw/zinc/53/35/77/324533577.db2.gz AHDBMHQOEYSORO-WCQYABFASA-N 2 0 219.332 1.478 10 0 BDAERP C[C@@H]1SCC[C@H]1[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405807922 355301971 /nfs/dbraw/zinc/30/19/71/355301971.db2.gz RVKCXGVBJNHHGN-IVZWLZJFSA-N 2 0 200.351 1.304 10 0 BDAERP [NH3+]CC1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000141480755 356464418 /nfs/dbraw/zinc/46/44/18/356464418.db2.gz ANBVVWACKQVQBD-UHFFFAOYSA-N 3 0 233.359 1.186 10 0 BDAERP OCCN1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000384369238 356626492 /nfs/dbraw/zinc/62/64/92/356626492.db2.gz HPANZYDJYKLGNX-AWEZNQCLSA-N 2 0 240.391 1.756 10 0 BDAERP CC[NH+]1CCC2(CCC[C@H](C[NH3+])O2)CC1 ZINC000675072524 538503730 /nfs/dbraw/zinc/50/37/30/538503730.db2.gz IOCXVJXEUHJFNO-LLVKDONJSA-N 2 0 212.337 1.369 10 0 BDAERP COCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000656200487 538784933 /nfs/dbraw/zinc/78/49/33/538784933.db2.gz NPLQQCBAPSTKOA-NSHDSACASA-N 2 0 212.337 1.145 10 0 BDAERP C[C@@H]([NH2+]CCOCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000583687483 357119810 /nfs/dbraw/zinc/11/98/10/357119810.db2.gz FVHLOAPFJHFTEH-DGCLKSJQSA-N 2 0 226.364 1.391 10 0 BDAERP [NH3+]C1CC[NH+]([C@H]2CCCC[C@H]2F)CC1 ZINC000584636441 358321064 /nfs/dbraw/zinc/32/10/64/358321064.db2.gz HKYCSSLAOJZWDS-MNOVXSKESA-N 2 0 200.301 1.690 10 0 BDAERP COC[C@@H](C)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226451523 358340048 /nfs/dbraw/zinc/34/00/48/358340048.db2.gz IPGWCSUFAGNMFG-NWDGAFQWSA-N 2 0 214.353 1.343 10 0 BDAERP C[C@@H]([NH3+])Cc1ccccc1N1CC[NH+](C)CC1 ZINC000044460727 358387079 /nfs/dbraw/zinc/38/70/79/358387079.db2.gz SNKOUMFPJHAPEW-GFCCVEGCSA-N 2 0 233.359 1.328 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CSC[C@@H]2C)C[C@@H]1[NH3+] ZINC000306191975 359019574 /nfs/dbraw/zinc/01/95/74/359019574.db2.gz PUGSWBZRHQSBHM-XFWSIPNHSA-N 2 0 200.351 1.017 10 0 BDAERP CSC1(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)CC1 ZINC000306230586 359366262 /nfs/dbraw/zinc/36/62/62/359366262.db2.gz ZTLLDRNUNHUGMV-VHSXEESVSA-N 2 0 214.378 1.551 10 0 BDAERP C[NH2+][C@@H]1CCN([C@@H]2CSC[C@@H]2C)C1 ZINC000306410283 359795905 /nfs/dbraw/zinc/79/59/05/359795905.db2.gz RAWFRSFTMPVAPY-IVZWLZJFSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@H]1[C@H](NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000306440767 360005715 /nfs/dbraw/zinc/00/57/15/360005715.db2.gz KUIUBFJHGZESNY-CMPLNLGQSA-N 2 0 232.331 1.132 10 0 BDAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)C[NH+]1CCCC1 ZINC000094088940 360296776 /nfs/dbraw/zinc/29/67/76/360296776.db2.gz NHHIXTWDHKNWHQ-IYXRBSQSSA-N 3 0 239.407 1.578 10 0 BDAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1CCSC[C@@H]1C ZINC000306532671 360392413 /nfs/dbraw/zinc/39/24/13/360392413.db2.gz BZMUPNAIEDWXFZ-VWYCJHECSA-N 2 0 214.378 1.422 10 0 BDAERP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000578979055 366684365 /nfs/dbraw/zinc/68/43/65/366684365.db2.gz LHVCJIRJOAHCRI-GMXVVIOVSA-N 2 0 226.364 1.125 10 0 BDAERP C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000579342244 366761927 /nfs/dbraw/zinc/76/19/27/366761927.db2.gz ZDWBVOHAUYWEEP-MJBXVCDLSA-N 2 0 240.391 1.781 10 0 BDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCn1ccnc1 ZINC000054629584 181345111 /nfs/dbraw/zinc/34/51/11/181345111.db2.gz QBRSUPSBTKQRKR-AGUYFDCRSA-N 2 0 248.374 1.617 10 0 BDAERP C[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000252554216 363892557 /nfs/dbraw/zinc/89/25/57/363892557.db2.gz HEJHVNANPCGZAN-KWCYVHTRSA-N 2 0 216.328 1.726 10 0 BDAERP CCC(CC)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630369132 364086723 /nfs/dbraw/zinc/08/67/23/364086723.db2.gz VJNYUKXOETZUMO-STQMWFEESA-N 2 0 228.380 1.861 10 0 BDAERP CC1CC[NH+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264550 541337431 /nfs/dbraw/zinc/33/74/31/541337431.db2.gz VIBHMFLHLRZEHD-QWHCGFSZSA-N 2 0 238.375 1.615 10 0 BDAERP [NH3+]CC(C[NH3+])c1ccc(Br)cc1 ZINC000071533886 181357491 /nfs/dbraw/zinc/35/74/91/181357491.db2.gz CITKPQWLVNUTDE-UHFFFAOYSA-N 2 0 229.121 1.450 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCCOCC2)CCCC1 ZINC000061934583 181359007 /nfs/dbraw/zinc/35/90/07/181359007.db2.gz VFEUSAVQIXTOPS-UHFFFAOYSA-N 2 0 212.337 1.228 10 0 BDAERP C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000573830811 364926798 /nfs/dbraw/zinc/92/67/98/364926798.db2.gz CIBMVDYSMZREAX-GARJFASQSA-N 2 0 202.317 1.712 10 0 BDAERP [NH3+]CCCN(Cc1cccnc1)c1cc[nH+]cc1 ZINC000019813349 181379521 /nfs/dbraw/zinc/37/95/21/181379521.db2.gz GWAAYWLUKZFVSW-UHFFFAOYSA-N 2 0 242.326 1.832 10 0 BDAERP [NH3+]CCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000011919734 181380362 /nfs/dbraw/zinc/38/03/62/181380362.db2.gz JNBFJFVKSAWOFC-ZDUSSCGKSA-N 2 0 219.332 1.957 10 0 BDAERP Cc1c(CN2CC[C@H]([NH3+])C[C@@H]2C)cnn1C ZINC000168846990 365018670 /nfs/dbraw/zinc/01/86/70/365018670.db2.gz TXTSTPCJCKTJFC-CABZTGNLSA-N 2 0 222.336 1.040 10 0 BDAERP [NH3+]C[C@H]1C[NH2+]C[C@H](COc2ccccc2)C1 ZINC000038458044 368326740 /nfs/dbraw/zinc/32/67/40/368326740.db2.gz RPHGNNWPPGODRX-NWDGAFQWSA-N 2 0 220.316 1.250 10 0 BDAERP CC[NH2+]CCOCC[NH2+]Cc1ccccc1 ZINC000167453853 368396384 /nfs/dbraw/zinc/39/63/84/368396384.db2.gz ZVEZCZRVAJRQGS-UHFFFAOYSA-N 2 0 222.332 1.402 10 0 BDAERP C[C@H](C[N@@H+]1CCS[C@H](C)[C@@H]1C)C(N)=[NH2+] ZINC000253080386 368472638 /nfs/dbraw/zinc/47/26/38/368472638.db2.gz VKMLZBJAIIZLSM-HRDYMLBCSA-N 2 0 215.366 1.384 10 0 BDAERP CO[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631836833 369085075 /nfs/dbraw/zinc/08/50/75/369085075.db2.gz HQWKNAMIYXMLGD-VHDGCEQUSA-N 2 0 248.370 1.901 10 0 BDAERP C[C@H](c1ccccn1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838149 369118534 /nfs/dbraw/zinc/11/85/34/369118534.db2.gz JOGYLPHSCQKIFH-UTUOFQBUSA-N 2 0 219.332 1.669 10 0 BDAERP [NH3+]C[C@H](Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000068591416 181444710 /nfs/dbraw/zinc/44/47/10/181444710.db2.gz FFUZHDFZMPBBAF-ZDUSSCGKSA-N 2 0 236.334 1.943 10 0 BDAERP CC(C)CCOCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841833 369358813 /nfs/dbraw/zinc/35/88/13/369358813.db2.gz QPKXXJWCSCLMEJ-QWHCGFSZSA-N 2 0 228.380 1.576 10 0 BDAERP CC(C)[NH2+]CCOc1ccc2c(c1)C[NH2+]C2 ZINC000113591874 370438961 /nfs/dbraw/zinc/43/89/61/370438961.db2.gz CIRXQTHQMHGJDG-UHFFFAOYSA-N 2 0 220.316 1.667 10 0 BDAERP CSCC[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C ZINC000131552896 371622210 /nfs/dbraw/zinc/62/22/10/371622210.db2.gz VPTVSECZTVZNEK-NXEZZACHSA-N 2 0 202.367 1.422 10 0 BDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1CC1C[NH2+]C1 ZINC000132513219 371844405 /nfs/dbraw/zinc/84/44/05/371844405.db2.gz RTYGXWTZAGWPCR-BDAKNGLRSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@H](C[NH+](C)C)NC1=[NH+][C@H](C)CCS1 ZINC000133740677 372098996 /nfs/dbraw/zinc/09/89/96/372098996.db2.gz NQBBEAXKWZFFAF-RKDXNWHRSA-N 2 0 215.366 1.408 10 0 BDAERP Cc1ncc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631838427 372631279 /nfs/dbraw/zinc/63/12/79/372631279.db2.gz OAIUVJNHVBPYEO-SCZZXKLOSA-N 2 0 225.361 1.478 10 0 BDAERP Cc1ncsc1CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840330 372636351 /nfs/dbraw/zinc/63/63/51/372636351.db2.gz RMXGIDPUNDRNSU-GXSJLCMTSA-N 2 0 239.388 1.521 10 0 BDAERP Cc1noc(C)c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842643 372640458 /nfs/dbraw/zinc/64/04/58/372640458.db2.gz CZNASGPBJWVEIJ-KCJUWKMLSA-N 2 0 223.320 1.318 10 0 BDAERP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](C/C=C\Cl)C2 ZINC000379664000 373037324 /nfs/dbraw/zinc/03/73/24/373037324.db2.gz UITIKJHIMDXKGN-OWPBXUSHSA-N 2 0 214.740 1.800 10 0 BDAERP CCCN(CC[NH+](C)C)[C@@H](C[NH2+]CC)C(C)C ZINC000052544096 169158276 /nfs/dbraw/zinc/15/82/76/169158276.db2.gz DJZQWRHTHIQYQS-AWEZNQCLSA-N 2 0 243.439 1.894 10 0 BDAERP CCCN(CC[NH+](C)C)C[C@@]1(CC)CC[NH2+]C1 ZINC000062912210 169158637 /nfs/dbraw/zinc/15/86/37/169158637.db2.gz GIOVJQFMGGDHGY-AWEZNQCLSA-N 2 0 241.423 1.650 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@H](C[NH3+])C2)CC1 ZINC000049557921 169186447 /nfs/dbraw/zinc/18/64/47/169186447.db2.gz UJUBVMYUKWOIIE-GFCCVEGCSA-N 2 0 225.380 1.141 10 0 BDAERP CCC[NH+]1CCN(CC[C@@H](C)[NH2+]C)CC1 ZINC000043805412 169203070 /nfs/dbraw/zinc/20/30/70/169203070.db2.gz JFXBFXXPFRGOFA-GFCCVEGCSA-N 2 0 213.369 1.012 10 0 BDAERP c1cc(C[NH2+]CC2CC[NH2+]CC2)ccn1 ZINC000040719310 183349971 /nfs/dbraw/zinc/34/99/71/183349971.db2.gz SDJPAIUNAQRSCS-UHFFFAOYSA-N 2 0 205.305 1.171 10 0 BDAERP CCC[NH2+]CCCOCCC[NH+](C)C ZINC000052672320 169256967 /nfs/dbraw/zinc/25/69/67/169256967.db2.gz NKNRDDILHCFTOM-UHFFFAOYSA-N 2 0 202.342 1.344 10 0 BDAERP CCC[NH2+]CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055069215 169257505 /nfs/dbraw/zinc/25/75/05/169257505.db2.gz LLKPEOCGIDCZGE-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]CCNCCC[N@@H+]1CCCC[C@@H]1C ZINC000049474906 169259090 /nfs/dbraw/zinc/25/90/90/169259090.db2.gz JHPFDLMBUFLDMX-AWEZNQCLSA-N 2 0 241.423 1.840 10 0 BDAERP CCC[NH2+]CCNCCC[NH+]1CCCC1 ZINC000049474459 169259445 /nfs/dbraw/zinc/25/94/45/169259445.db2.gz FJZTVODXDPGFFB-UHFFFAOYSA-N 2 0 213.369 1.062 10 0 BDAERP CCC[NH2+][C@H](C)[C@@H](C)N1CC[NH+](CCC)CC1 ZINC000043805683 169285920 /nfs/dbraw/zinc/28/59/20/169285920.db2.gz FRGOUORTRKZJSX-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000052371261 169263704 /nfs/dbraw/zinc/26/37/04/169263704.db2.gz FPKQPVGTYNDVIE-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH2+]C[C@H]1CC[C@H](COCC[NH+](C)C)O1 ZINC000052669851 169264551 /nfs/dbraw/zinc/26/45/51/169264551.db2.gz AJLSMPHHPIPJDX-CHWSQXEVSA-N 2 0 244.379 1.112 10 0 BDAERP CCC[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000051548741 169267820 /nfs/dbraw/zinc/26/78/20/169267820.db2.gz BKHZBWCXDVLGNH-UHFFFAOYSA-N 2 0 237.347 1.522 10 0 BDAERP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000053875913 169282227 /nfs/dbraw/zinc/28/22/27/169282227.db2.gz FUNVITOQECLYRL-MGPQQGTHSA-N 2 0 240.391 1.611 10 0 BDAERP CCC[NH2+][C@@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000049711411 169282432 /nfs/dbraw/zinc/28/24/32/169282432.db2.gz OLCYMYXCSWMMLW-GXTWGEPZSA-N 2 0 240.391 1.875 10 0 BDAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+](C)CCO ZINC000053869783 169282682 /nfs/dbraw/zinc/28/26/82/169282682.db2.gz SXHVGSBSQLQDLN-BFHYXJOUSA-N 2 0 242.407 1.715 10 0 BDAERP CCCO[C@H]1CCC[N@H+](CCCCC(N)=[NH2+])C1 ZINC000042422689 169312207 /nfs/dbraw/zinc/31/22/07/169312207.db2.gz CXKOQOAMBNHSQC-LBPRGKRZSA-N 2 0 241.379 1.984 10 0 BDAERP CC(C)N(C)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000309274529 383831348 /nfs/dbraw/zinc/83/13/48/383831348.db2.gz SMUMPNXKIDJHST-PNESKVBLSA-N 2 0 227.396 1.575 10 0 BDAERP CCOCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000036908720 383920972 /nfs/dbraw/zinc/92/09/72/383920972.db2.gz BOMXMNITEGNHQL-TUAOUCFPSA-N 2 0 214.353 1.341 10 0 BDAERP C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000095075864 384350812 /nfs/dbraw/zinc/35/08/12/384350812.db2.gz AFILRTQJTZQUQW-ZIAGYGMSSA-N 2 0 234.343 1.089 10 0 BDAERP CC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181124805 384449760 /nfs/dbraw/zinc/44/97/60/384449760.db2.gz MIWZJQIGWQFDEC-CHWSQXEVSA-N 2 0 242.407 1.810 10 0 BDAERP CC(C)[C@@H]([NH3+])c1cccn1CC[NH+](C)C ZINC000011848769 384619129 /nfs/dbraw/zinc/61/91/29/384619129.db2.gz KRAYDNSTAIAXHI-GFCCVEGCSA-N 2 0 209.337 1.706 10 0 BDAERP CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862540 384807507 /nfs/dbraw/zinc/80/75/07/384807507.db2.gz KABAAKVGNZZPSL-NSHDSACASA-N 2 0 214.353 1.031 10 0 BDAERP C[C@H](Cc1ccccc1)N1CC[C@H]([NH3+])C1 ZINC000062179981 384984595 /nfs/dbraw/zinc/98/45/95/384984595.db2.gz VYCJCYWDYQWLCA-YPMHNXCESA-N 2 0 204.317 1.651 10 0 BDAERP CC[C@](C)(O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000119404653 385094086 /nfs/dbraw/zinc/09/40/86/385094086.db2.gz GODZSAOQHFHSKZ-LBPRGKRZSA-N 2 0 214.353 1.173 10 0 BDAERP CC1(C)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000310514623 385101288 /nfs/dbraw/zinc/10/12/88/385101288.db2.gz KRARZIMPOKEFHV-QWHCGFSZSA-N 2 0 240.391 1.611 10 0 BDAERP CCO[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000306780622 385241435 /nfs/dbraw/zinc/24/14/35/385241435.db2.gz JBNYOYGGGFPKPS-KBPBESRZSA-N 2 0 234.343 1.482 10 0 BDAERP C[C@H]1C[N@@H+]([C@H]2CCSC2)CCC[NH2+]1 ZINC000258090281 385540536 /nfs/dbraw/zinc/54/05/36/385540536.db2.gz KFJLVRPQAFXIBD-UWVGGRQHSA-N 2 0 200.351 1.176 10 0 BDAERP COC1(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)CCCC1 ZINC000318914366 385522536 /nfs/dbraw/zinc/52/25/36/385522536.db2.gz BZXYENVVHZJDCY-WDEREUQCSA-N 2 0 212.337 1.367 10 0 BDAERP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC[NH3+])C12CCC2 ZINC000336734012 385652961 /nfs/dbraw/zinc/65/29/61/385652961.db2.gz GZPVGQBXZSLYTQ-GMTAPVOTSA-N 2 0 212.337 1.128 10 0 BDAERP C[C@H](C[NH2+]C1CC[NH2+]CC1)CC(F)F ZINC000647800680 385809947 /nfs/dbraw/zinc/80/99/47/385809947.db2.gz IUCKIBXOGVAPME-QMMMGPOBSA-N 2 0 206.280 1.619 10 0 BDAERP Cc1[nH+]ccc(NC[C@@H]2COCC[NH2+]2)c1Cl ZINC000309308770 386004306 /nfs/dbraw/zinc/00/43/06/386004306.db2.gz DSTSLFYUGCFLGK-SECBINFHSA-N 2 0 241.722 1.444 10 0 BDAERP CC(C)C[C@@H](CNC1CC[NH2+]CC1)[NH+](C)C ZINC000038040777 386118059 /nfs/dbraw/zinc/11/80/59/386118059.db2.gz DBCWZSBCSLBQIQ-ZDUSSCGKSA-N 2 0 227.396 1.304 10 0 BDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336666664 386294139 /nfs/dbraw/zinc/29/41/39/386294139.db2.gz LJSRWBHDGWSQKC-VXGBXAGGSA-N 2 0 228.380 1.277 10 0 BDAERP [NH3+]CCC[NH+]1CCC(c2nccs2)CC1 ZINC000414752962 386391298 /nfs/dbraw/zinc/39/12/98/386391298.db2.gz VLXHTYPRCALNSE-UHFFFAOYSA-N 2 0 225.361 1.671 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000336647155 386645720 /nfs/dbraw/zinc/64/57/20/386645720.db2.gz FHNLGLKSNNXWIC-LBPRGKRZSA-N 2 0 224.352 1.299 10 0 BDAERP C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cccnc1 ZINC000396576360 386782019 /nfs/dbraw/zinc/78/20/19/386782019.db2.gz NEXPLDFFYDEODQ-DMDPSCGWSA-N 2 0 219.332 1.873 10 0 BDAERP COc1cc(F)ccc1[C@H]([NH3+])CCCC[NH3+] ZINC000575440252 387127186 /nfs/dbraw/zinc/12/71/86/387127186.db2.gz XIIQQAHVNJUQTN-LLVKDONJSA-N 2 0 226.295 1.963 10 0 BDAERP COc1ccc([C@@H]([NH3+])CCCC[NH3+])cc1 ZINC000575440145 387127242 /nfs/dbraw/zinc/12/72/42/387127242.db2.gz KIRRNZMDKAQJEZ-LBPRGKRZSA-N 2 0 208.305 1.824 10 0 BDAERP CC(C)([NH3+])C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000306206623 387182768 /nfs/dbraw/zinc/18/27/68/387182768.db2.gz QBDORAFKTMIZRK-VIFPVBQESA-N 2 0 200.326 1.271 10 0 BDAERP CC[C@H](CCO)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571908577 387188746 /nfs/dbraw/zinc/18/87/46/387188746.db2.gz CMBBDFJLRVEZIL-GRYCIOLGSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@H](NCCC[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400595660 387199007 /nfs/dbraw/zinc/19/90/07/387199007.db2.gz VMNRLMSGUMZSRQ-STQMWFEESA-N 2 0 225.380 1.060 10 0 BDAERP CSC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400435430 387285240 /nfs/dbraw/zinc/28/52/40/387285240.db2.gz MPIYDFQOJMXQKF-IVZWLZJFSA-N 2 0 202.367 1.326 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000575601543 387360434 /nfs/dbraw/zinc/36/04/34/387360434.db2.gz HKRGHGVKRMLJMQ-AVGNSLFASA-N 2 0 225.380 1.330 10 0 BDAERP [NH3+]CCc1cc(C[NH3+])cc(Br)c1O ZINC000575602945 387366291 /nfs/dbraw/zinc/36/62/91/387366291.db2.gz WNWCOPXONBTNSH-UHFFFAOYSA-N 2 0 245.120 1.115 10 0 BDAERP Cc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)o1 ZINC000515053332 387327014 /nfs/dbraw/zinc/32/70/14/387327014.db2.gz OKCVXBXLRHOVIW-LBPRGKRZSA-N 2 0 222.332 1.862 10 0 BDAERP [NH3+][C@H]1CCC[C@H]1C[NH+]1CCSCC1 ZINC000053864454 387517370 /nfs/dbraw/zinc/51/73/70/387517370.db2.gz BRGSVQIQYYJGBQ-UWVGGRQHSA-N 2 0 200.351 1.163 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]1C[N@@H+]1CCCSCC1 ZINC000053879800 387522366 /nfs/dbraw/zinc/52/23/66/387522366.db2.gz DRUFWMVZHWGVDP-GHMZBOCLSA-N 2 0 214.378 1.553 10 0 BDAERP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124045925 387603635 /nfs/dbraw/zinc/60/36/35/387603635.db2.gz IPBXABXIZGPSES-OLZOCXBDSA-N 2 0 236.363 1.264 10 0 BDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000151322790 387817513 /nfs/dbraw/zinc/81/75/13/387817513.db2.gz ZWAYBSZKPKOLLN-OLZOCXBDSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[N@@H+]1CC[C@@H](CN[C@H]2CCC[NH2+]CC2)C1 ZINC000422970538 387818194 /nfs/dbraw/zinc/81/81/94/387818194.db2.gz GQUNWLWCSYYIGC-KBPBESRZSA-N 2 0 239.407 1.450 10 0 BDAERP FC1(CC[NH2+]C2CC[NH2+]CC2)CCC1 ZINC000423125722 387904339 /nfs/dbraw/zinc/90/43/39/387904339.db2.gz OCQDWRDIDWGNCJ-UHFFFAOYSA-N 2 0 200.301 1.610 10 0 BDAERP C(C[C@H]1CCCO1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168733363 387908376 /nfs/dbraw/zinc/90/83/76/387908376.db2.gz WJHHHPWJZFDHQP-NWDGAFQWSA-N 2 0 212.337 1.287 10 0 BDAERP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086933090 388111102 /nfs/dbraw/zinc/11/11/02/388111102.db2.gz WRAHSUAYUPGDRC-CHWSQXEVSA-N 2 0 225.380 1.140 10 0 BDAERP C1C[C@H]([NH2+][C@@H]2CCCSCC2)C[NH2+]1 ZINC000575518828 388356268 /nfs/dbraw/zinc/35/62/68/388356268.db2.gz VZDMCGLUXFCMFT-ZJUUUORDSA-N 2 0 200.351 1.224 10 0 BDAERP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000307513254 388424389 /nfs/dbraw/zinc/42/43/89/388424389.db2.gz YSOWIHGUSLBKBL-VWYCJHECSA-N 2 0 214.378 1.470 10 0 BDAERP CCC[C@@H](C[NH2+][C@@H]1CCN(CC)C1)OC ZINC000378738190 388492515 /nfs/dbraw/zinc/49/25/15/388492515.db2.gz GRURFHJIZKZHKG-NEPJUHHUSA-N 2 0 214.353 1.485 10 0 BDAERP CO[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)C(C)C ZINC000362976663 388563032 /nfs/dbraw/zinc/56/30/32/388563032.db2.gz LERHOPVIAWVKNY-RYUDHWBXSA-N 2 0 214.353 1.389 10 0 BDAERP Cc1cc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc[nH+]1 ZINC000302511292 132263999 /nfs/dbraw/zinc/26/39/99/132263999.db2.gz XICWKKGEBTXAEF-VXGBXAGGSA-N 2 0 219.332 1.919 10 0 BDAERP [NH3+]Cc1ccccc1N1CC[NH+](C2CC2)CC1 ZINC000020266276 132330800 /nfs/dbraw/zinc/33/08/00/132330800.db2.gz FWRJTYZLDFVJMG-UHFFFAOYSA-N 2 0 231.343 1.430 10 0 BDAERP Cc1cc(C)cc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1 ZINC000027104617 132333832 /nfs/dbraw/zinc/33/38/32/132333832.db2.gz STPKDYUFFWJFJP-UHFFFAOYSA-N 2 0 245.330 1.489 10 0 BDAERP CCCCC[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035081409 132337649 /nfs/dbraw/zinc/33/76/49/132337649.db2.gz YAOBAIQXGVPYLC-UHFFFAOYSA-N 2 0 248.374 1.976 10 0 BDAERP CC(C)[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368369 132338200 /nfs/dbraw/zinc/33/82/00/132338200.db2.gz LHNDBJOXHBSONL-UHFFFAOYSA-N 2 0 220.320 1.194 10 0 BDAERP [NH3+]Cc1c(Cl)cccc1N1CC[NH2+]CC1 ZINC000052904198 132362582 /nfs/dbraw/zinc/36/25/82/132362582.db2.gz CNTMYFINGBJBOX-UHFFFAOYSA-N 2 0 225.723 1.208 10 0 BDAERP C[NH+]1CCN(c2cccc(F)c2CC[NH3+])CC1 ZINC000071548033 132393412 /nfs/dbraw/zinc/39/34/12/132393412.db2.gz ISIOIQJHKGNJCM-UHFFFAOYSA-N 2 0 237.322 1.079 10 0 BDAERP CN1C[C@H](O)C[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335936227 134012618 /nfs/dbraw/zinc/01/26/18/134012618.db2.gz HIMCHXNNPDHLPK-QWHCGFSZSA-N 2 0 238.375 1.364 10 0 BDAERP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000222263235 134330924 /nfs/dbraw/zinc/33/09/24/134330924.db2.gz BJZUYLRETWYTEY-WUHRBBMRSA-N 2 0 228.380 1.728 10 0 BDAERP COC[C@H]([NH2+]CCCC[NH3+])c1ccccc1 ZINC000234739587 134584717 /nfs/dbraw/zinc/58/47/17/134584717.db2.gz YXZWYDVGPDQHIF-ZDUSSCGKSA-N 2 0 222.332 1.703 10 0 BDAERP OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250835471 135059549 /nfs/dbraw/zinc/05/95/49/135059549.db2.gz KRYRYTARVGMLCE-YNEHKIRRSA-N 2 0 226.364 1.269 10 0 BDAERP Cc1cc(N2CC[C@H]([NH3+])C(C)(C)C2)cc[nH+]1 ZINC000261596133 135236338 /nfs/dbraw/zinc/23/63/38/135236338.db2.gz YNIUQCRKONQICD-LBPRGKRZSA-N 2 0 219.332 1.954 10 0 BDAERP c1cnn([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000262302317 135291424 /nfs/dbraw/zinc/29/14/24/135291424.db2.gz XSYRPHAYPXMLSJ-CQSZACIVSA-N 2 0 248.374 1.520 10 0 BDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1CC[NH+](C)C ZINC000053653091 167005953 /nfs/dbraw/zinc/00/59/53/167005953.db2.gz PTBFEKXJTWSLEJ-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP COc1ccccc1C[NH2+]C(C)(C)CC[NH3+] ZINC000258701788 322875323 /nfs/dbraw/zinc/87/53/23/322875323.db2.gz CBSQKPHZJJOXCI-UHFFFAOYSA-N 2 0 222.332 1.912 10 0 BDAERP CN1CCC[C@H]1C[NH2+]C(C)(C)CN1CCCC1 ZINC000308634982 409895570 /nfs/dbraw/zinc/89/55/70/409895570.db2.gz MUPORORSVAOVHH-ZDUSSCGKSA-N 2 0 239.407 1.545 10 0 BDAERP CC(C)[N@@H+]1CC[C@H](N2CCCC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000063192197 167025739 /nfs/dbraw/zinc/02/57/39/167025739.db2.gz AIMTZIPYGOCSFE-HZSPNIEDSA-N 2 0 239.407 1.671 10 0 BDAERP CC(C)[NH2+]Cc1cc(OCC[NH+](C)C)ccn1 ZINC000051548777 167117343 /nfs/dbraw/zinc/11/73/43/167117343.db2.gz PKEDVCCJFBYMKW-UHFFFAOYSA-N 2 0 237.347 1.520 10 0 BDAERP CC(C)[C@@H](C)[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192220 167380945 /nfs/dbraw/zinc/38/09/45/167380945.db2.gz GZMOYDWEEOTTNJ-ZIAGYGMSSA-N 2 0 241.423 1.504 10 0 BDAERP CC(C)[C@@H](C)[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655080 167382064 /nfs/dbraw/zinc/38/20/64/167382064.db2.gz KVCVEMZPSXJQRH-ZIAGYGMSSA-N 2 0 241.423 1.647 10 0 BDAERP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000656193918 411199388 /nfs/dbraw/zinc/19/93/88/411199388.db2.gz YPOQGPOFESNZBN-HZSPNIEDSA-N 2 0 247.386 1.990 10 0 BDAERP C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000656193367 411200441 /nfs/dbraw/zinc/20/04/41/411200441.db2.gz IFMFKPZUFVINOQ-JHJVBQTASA-N 2 0 233.359 1.600 10 0 BDAERP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000656199702 411204280 /nfs/dbraw/zinc/20/42/80/411204280.db2.gz BCURUEGZONNUBU-KBPBESRZSA-N 2 0 247.386 1.829 10 0 BDAERP FC1(F)CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000334787618 411245497 /nfs/dbraw/zinc/24/54/97/411245497.db2.gz XCLWPJWHOFZYAK-ZJUUUORDSA-N 2 0 218.291 1.763 10 0 BDAERP CC[C@@H](O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555756 411239936 /nfs/dbraw/zinc/23/99/36/411239936.db2.gz YBWYXZZDEMLJFQ-VXGBXAGGSA-N 2 0 216.369 1.323 10 0 BDAERP CC1(C)CC[NH+](C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000061823220 167921040 /nfs/dbraw/zinc/92/10/40/167921040.db2.gz CMDNDWNTUKPWML-VXGBXAGGSA-N 2 0 226.364 1.615 10 0 BDAERP CC(C)(O)C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000656678256 411323189 /nfs/dbraw/zinc/32/31/89/411323189.db2.gz YKIHNUDPENLIBC-JTQLQIEISA-N 2 0 214.353 1.220 10 0 BDAERP CC1CCC(C[N@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000336759678 168151980 /nfs/dbraw/zinc/15/19/80/168151980.db2.gz LKBBAVMHBDUKMY-MCIGGMRASA-N 2 0 214.353 1.064 10 0 BDAERP CC1CC[NH+](Cc2occc2C[NH3+])CC1 ZINC000052376981 168184364 /nfs/dbraw/zinc/18/43/64/168184364.db2.gz SFVHADFCZRCYTI-UHFFFAOYSA-N 2 0 208.305 1.970 10 0 BDAERP CCC(C)(C)NC(=O)[C@@H](C)N(C)C[C@@H](C)C[NH3+] ZINC000042455858 168294427 /nfs/dbraw/zinc/29/44/27/168294427.db2.gz YHZURIFYTSUHDM-WDEREUQCSA-N 2 0 243.395 1.206 10 0 BDAERP CCn1cccc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000091025357 170007286 /nfs/dbraw/zinc/00/72/86/170007286.db2.gz FECPUASUFILIFN-ZDUSSCGKSA-N 2 0 235.375 1.939 10 0 BDAERP CC[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711758 170110249 /nfs/dbraw/zinc/11/02/49/170110249.db2.gz YOWZVNFSJQQVIW-CYBMUJFWSA-N 2 0 240.391 1.613 10 0 BDAERP CC[NH2+]CC[C@@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000052544075 170116166 /nfs/dbraw/zinc/11/61/66/170116166.db2.gz WIFFJOLZODQELI-CYBMUJFWSA-N 3 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055082998 170119165 /nfs/dbraw/zinc/11/91/65/170119165.db2.gz IPHOEDRSFUKFBA-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CC[NH2+][C@@H](CC)[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643571 170143972 /nfs/dbraw/zinc/14/39/72/170143972.db2.gz HBYCKMVNIFEMRE-MJBXVCDLSA-N 2 0 241.423 1.789 10 0 BDAERP CC[NH2+][C@H](C)Cc1csc(CC[NH+](C)C)n1 ZINC000076811863 170158731 /nfs/dbraw/zinc/15/87/31/170158731.db2.gz DRAIBUFWEJYAEE-SNVBAGLBSA-N 2 0 241.404 1.788 10 0 BDAERP CC[NH2+][C@H]1CCC[C@H]1CN(C)CCC[NH+](C)C ZINC000104198344 170166616 /nfs/dbraw/zinc/16/66/16/170166616.db2.gz OJICJLZBSRJQSM-KBPBESRZSA-N 2 0 241.423 1.648 10 0 BDAERP CCOC(=O)[C@H](C)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104143642 170263935 /nfs/dbraw/zinc/26/39/35/170263935.db2.gz SQZXDIBNXJHCGT-GHMZBOCLSA-N 2 0 242.363 1.245 10 0 BDAERP CC[N@@H+]1CCCO[C@H](c2ccnc(N)c2)C1 ZINC000616650324 411854644 /nfs/dbraw/zinc/85/46/44/411854644.db2.gz WXSVFRCTQXLVIX-NSHDSACASA-N 2 0 221.304 1.447 10 0 BDAERP CC[C@@H]1CC[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000104188299 171009164 /nfs/dbraw/zinc/00/91/64/171009164.db2.gz VPAVAFPFCUSBAI-CQSZACIVSA-N 2 0 240.391 1.877 10 0 BDAERP CC[C@@H]1CC[N@@H+](C2CCOCC2)CC[NH2+]1 ZINC000049662058 171009279 /nfs/dbraw/zinc/00/92/79/171009279.db2.gz KHWIEDSKIOEBRX-LLVKDONJSA-N 2 0 212.337 1.239 10 0 BDAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@@H+]2CCCOCC2)C1 ZINC000061934659 171040702 /nfs/dbraw/zinc/04/07/02/171040702.db2.gz JPONOIHHCWUBKT-HZSPNIEDSA-N 2 0 240.391 1.862 10 0 BDAERP CC[C@@H]1C[N@@H+](C2CCC([NH3+])CC2)CCO1 ZINC000055144361 171074606 /nfs/dbraw/zinc/07/46/06/171074606.db2.gz KHQRMGYFKOVQAH-HTAVTVPLSA-N 2 0 212.337 1.367 10 0 BDAERP CC[C@@H]1CN(CC[NH+](C)C)[C@H](CC)C[NH2+]1 ZINC000083117910 171082160 /nfs/dbraw/zinc/08/21/60/171082160.db2.gz NJKWLFIKXBYNCQ-VXGBXAGGSA-N 2 0 213.369 1.010 10 0 BDAERP CC[C@@H]1CN(Cc2occc2C[NH3+])CC[N@@H+]1C ZINC000110753571 171094851 /nfs/dbraw/zinc/09/48/51/171094851.db2.gz JLVLKQDCJJSWOD-GFCCVEGCSA-N 2 0 237.347 1.264 10 0 BDAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C1CCC([NH3+])CC1 ZINC000055144496 171107468 /nfs/dbraw/zinc/10/74/68/171107468.db2.gz CBAQXXIBQGJAJX-GMKTYKIGSA-N 2 0 226.364 1.756 10 0 BDAERP CC[C@@H]1CO[C@@H](C)CN1C1(C[NH3+])CCCC1 ZINC000042450342 171107625 /nfs/dbraw/zinc/10/76/25/171107625.db2.gz NDSGXIZMGIADOD-NWDGAFQWSA-N 2 0 226.364 1.757 10 0 BDAERP CC[C@@H]1CSC(N[C@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000040715968 171113341 /nfs/dbraw/zinc/11/33/41/171113341.db2.gz CNOVSUVJRPTFQK-ZJUUUORDSA-N 2 0 227.377 1.552 10 0 BDAERP CC[C@@H]1CSC(N[C@@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000040715966 171114760 /nfs/dbraw/zinc/11/47/60/171114760.db2.gz CNOVSUVJRPTFQK-NXEZZACHSA-N 2 0 227.377 1.552 10 0 BDAERP CC[C@@](C)(C[NH3+])C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000051253774 171167108 /nfs/dbraw/zinc/16/71/08/171167108.db2.gz SYCPXYQZZFSMOF-AAEUAGOBSA-N 2 0 228.380 1.861 10 0 BDAERP CC[C@H](C)N(CC)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000037112712 171311791 /nfs/dbraw/zinc/31/17/91/171311791.db2.gz WDNOGRMLZCPBGB-ZDUSSCGKSA-N 2 0 241.423 1.920 10 0 BDAERP C[NH2+]C[C@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000663280124 412408443 /nfs/dbraw/zinc/40/84/43/412408443.db2.gz YATSCPXNEAHDGB-ZETCQYMHSA-N 2 0 213.712 1.485 10 0 BDAERP C[NH+](C)C1CCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000036191817 172406378 /nfs/dbraw/zinc/40/63/78/172406378.db2.gz SNTMPIDLDUHBHD-QWHCGFSZSA-N 2 0 225.380 1.282 10 0 BDAERP C[NH+](C)CC1CC[NH+](CC2(O)CCC2)CC1 ZINC000336675264 172424934 /nfs/dbraw/zinc/42/49/34/172424934.db2.gz MJCTXBGYAZUYNF-UHFFFAOYSA-N 2 0 226.364 1.175 10 0 BDAERP C[NH+](C)CCc1noc(C2CCC([NH3+])CC2)n1 ZINC000096877201 172478422 /nfs/dbraw/zinc/47/84/22/172478422.db2.gz WKTKTSFGWSENSM-UHFFFAOYSA-N 2 0 238.335 1.159 10 0 BDAERP C[NH+]1CCC(n2ncc3cc(C[NH3+])cnc32)CC1 ZINC000104320071 173001561 /nfs/dbraw/zinc/00/15/61/173001561.db2.gz MGJZSZZCTIZQAG-UHFFFAOYSA-N 2 0 245.330 1.157 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H]([NH3+])C1 ZINC000041029774 173008690 /nfs/dbraw/zinc/00/86/90/173008690.db2.gz NOKMVHNWEOKARJ-STQMWFEESA-N 2 0 225.380 1.284 10 0 BDAERP C[N@@H+]1CCCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037158697 173017122 /nfs/dbraw/zinc/01/71/22/173017122.db2.gz FNHLLPKUZLQOFT-CHWSQXEVSA-N 2 0 225.380 1.141 10 0 BDAERP CN(c1cc[nH+]cc1N)[C@H]1CCC[N@H+](C)C1 ZINC000053205894 173044254 /nfs/dbraw/zinc/04/42/54/173044254.db2.gz FRSKBSYCXSPGJU-JTQLQIEISA-N 2 0 220.320 1.194 10 0 BDAERP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000249859530 173053693 /nfs/dbraw/zinc/05/36/93/173053693.db2.gz FIDOQGPCDVNILQ-NSHDSACASA-N 2 0 224.352 1.137 10 0 BDAERP CN1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952270 173079198 /nfs/dbraw/zinc/07/91/98/173079198.db2.gz ZTQOLNRMVFYCCG-ZDUSSCGKSA-N 2 0 225.380 1.156 10 0 BDAERP CN(C[C@H](O)c1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190238 173111901 /nfs/dbraw/zinc/11/19/01/173111901.db2.gz GSMUOOFCEJQIFU-HIFRSBDPSA-N 2 0 248.370 1.604 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484743 173115442 /nfs/dbraw/zinc/11/54/42/173115442.db2.gz ZNNMCNXXAYLCIN-ZDUSSCGKSA-N 2 0 204.317 1.728 10 0 BDAERP C[N@@H+]1CC[C@H](CNc2cc(N)cc[nH+]2)C1 ZINC000043569010 173147039 /nfs/dbraw/zinc/14/70/39/173147039.db2.gz QZTZCEHRRPPECC-SECBINFHSA-N 2 0 206.293 1.027 10 0 BDAERP C[N@@H+]1CCc2nc(CCCC[NH3+])sc2C1 ZINC000083354232 173173810 /nfs/dbraw/zinc/17/38/10/173173810.db2.gz KWQPWHZNHNKFAL-UHFFFAOYSA-N 2 0 225.361 1.412 10 0 BDAERP C[NH2+]CCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000083349121 173348579 /nfs/dbraw/zinc/34/85/79/173348579.db2.gz AUJHJUUUMXYQIA-UHFFFAOYSA-N 2 0 217.316 1.867 10 0 BDAERP C[NH2+]C[C@@]1(C[N@H+](C)CC(C)(C)C)CCCOC1 ZINC000104307432 173373598 /nfs/dbraw/zinc/37/35/98/173373598.db2.gz ZFEIPIZVYMPLPC-CQSZACIVSA-N 2 0 242.407 1.981 10 0 BDAERP C[NH2+]C[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000053033688 173381569 /nfs/dbraw/zinc/38/15/69/173381569.db2.gz AIZLYFDYTIEKRA-OLZOCXBDSA-N 2 0 225.380 1.012 10 0 BDAERP COC1CC[NH+](CC2([NH3+])CCCCC2)CC1 ZINC000037266471 174027724 /nfs/dbraw/zinc/02/77/24/174027724.db2.gz VHJQCGSMGFQAFE-UHFFFAOYSA-N 2 0 226.364 1.759 10 0 BDAERP COC1CC[NH+](C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053866140 174029010 /nfs/dbraw/zinc/02/90/10/174029010.db2.gz ASXHVSKJBQEIPT-PWSUYJOCSA-N 2 0 212.337 1.225 10 0 BDAERP COCCC[NH+]1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049665803 174233197 /nfs/dbraw/zinc/23/31/97/174233197.db2.gz VMHPHMZKZVSGHG-RYUDHWBXSA-N 2 0 214.353 1.485 10 0 BDAERP COCC[N@H+](C[C@](C)([NH3+])C1CC1)[C@H](C)C1CC1 ZINC000042689299 174297431 /nfs/dbraw/zinc/29/74/31/174297431.db2.gz AYBXCOXNVAADKH-RISCZKNCSA-N 2 0 240.391 1.861 10 0 BDAERP COc1ccc(CC[NH3+])cc1C[NH+](C)C ZINC000045206461 175090566 /nfs/dbraw/zinc/09/05/66/175090566.db2.gz SJWQHCJNQRJRRI-UHFFFAOYSA-N 2 0 208.305 1.258 10 0 BDAERP C[C@@H](c1ccc(O)cc1)[NH+]1CCC([NH3+])CC1 ZINC000020521524 176016304 /nfs/dbraw/zinc/01/63/04/176016304.db2.gz AAWIFNNKGUTYKD-JTQLQIEISA-N 2 0 220.316 1.876 10 0 BDAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)C[NH2+]C1CC1 ZINC000042607060 176079352 /nfs/dbraw/zinc/07/93/52/176079352.db2.gz WXKYIJOAWFAZSD-BNOWGMLFSA-N 2 0 240.391 1.610 10 0 BDAERP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H](O)[C@@H]1[NH3+] ZINC000035566982 176175349 /nfs/dbraw/zinc/17/53/49/176175349.db2.gz AKYCYJKHFYEHSO-KWCYVHTRSA-N 2 0 234.343 1.217 10 0 BDAERP C[C@@H]1CC[NH2+]CCN1CCOc1ccccc1 ZINC000062617317 176184652 /nfs/dbraw/zinc/18/46/52/176184652.db2.gz YIOJNCDTUNUICU-CYBMUJFWSA-N 2 0 234.343 1.749 10 0 BDAERP C[C@@H]1CN(CC[NH+]2CCCCC2)[C@H](C)C[NH2+]1 ZINC000062611947 176290587 /nfs/dbraw/zinc/29/05/87/176290587.db2.gz WNPCFADLLSTMQP-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@H]([NH3+])[C@H](c1ccncc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964227 176771906 /nfs/dbraw/zinc/77/19/06/176771906.db2.gz SNVPNANEOKUXJA-FPMFFAJLSA-N 2 0 248.374 1.106 10 0 BDAERP C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCC[NH+](C)C ZINC000122453371 177001021 /nfs/dbraw/zinc/00/10/21/177001021.db2.gz IKUFSPKLNDJGRE-UONOGXRCSA-N 2 0 242.407 1.954 10 0 BDAERP C[C@H]([C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000023067597 177030717 /nfs/dbraw/zinc/03/07/17/177030717.db2.gz DAUIOMAYSRHNCU-OCCSQVGLSA-N 2 0 233.359 1.322 10 0 BDAERP C[C@H](c1nccs1)[NH+]1CCC(C[NH3+])CC1 ZINC000083143902 177054495 /nfs/dbraw/zinc/05/44/95/177054495.db2.gz SGKSCFOXLVPDEO-SECBINFHSA-N 2 0 225.361 1.875 10 0 BDAERP C[C@@H]1CC([NH2+]CCC[NH+](C)C)C[C@H](C)O1 ZINC000096033718 177065655 /nfs/dbraw/zinc/06/56/55/177065655.db2.gz WKXLCKVBXOXOFZ-FOSCPWQOSA-N 2 0 214.353 1.484 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052180712 177075745 /nfs/dbraw/zinc/07/57/45/177075745.db2.gz AYXJZSMGYRFNSL-LBPRGKRZSA-N 2 0 226.364 1.616 10 0 BDAERP C[C@H]1CCCC[N@@H+]1Cc1cccnc1C[NH3+] ZINC000061656412 177077177 /nfs/dbraw/zinc/07/71/77/177077177.db2.gz FDOGCIBGKMIUKL-NSHDSACASA-N 2 0 219.332 1.915 10 0 BDAERP C[C@H]1CCC[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052180813 177095912 /nfs/dbraw/zinc/09/59/12/177095912.db2.gz RVCRBVMDMHDAMF-LBPRGKRZSA-N 2 0 226.364 1.474 10 0 BDAERP C[C@H]1CCC[N@H+](Cc2occc2C[NH3+])C1 ZINC000052381306 177103631 /nfs/dbraw/zinc/10/36/31/177103631.db2.gz AIGDRZOILPDMCD-JTQLQIEISA-N 2 0 208.305 1.970 10 0 BDAERP C[C@H]1CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)C1 ZINC000038117168 177143703 /nfs/dbraw/zinc/14/37/03/177143703.db2.gz NDPXRTUBVKDYQV-STQMWFEESA-N 2 0 226.364 1.223 10 0 BDAERP C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)CC[NH2+]1 ZINC000044510693 177159939 /nfs/dbraw/zinc/15/99/39/177159939.db2.gz AJNAVPBSCUMQPT-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)CC[C@H](C)[NH2+]1 ZINC000049667037 177169524 /nfs/dbraw/zinc/16/95/24/177169524.db2.gz SDKZHYDVHCKDRP-HZSPNIEDSA-N 2 0 239.407 1.543 10 0 BDAERP C[C@@H](CC[NH+](C)C)N1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049667807 177170054 /nfs/dbraw/zinc/17/00/54/177170054.db2.gz YZAKTBKIAWZNPV-MJBXVCDLSA-N 2 0 241.423 1.789 10 0 BDAERP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1CCC([NH3+])CC1 ZINC000037482478 177245420 /nfs/dbraw/zinc/24/54/20/177245420.db2.gz YPKBZHMSRLYMHL-IALDZJHCSA-N 2 0 226.364 1.613 10 0 BDAERP C[C@H]1C[N@H+](CC[C@H]([NH3+])C(C)(C)C)CCCO1 ZINC000061934328 177254101 /nfs/dbraw/zinc/25/41/01/177254101.db2.gz AVYUOTBBXBUUMB-RYUDHWBXSA-N 2 0 228.380 1.861 10 0 BDAERP C[C@H](C[NH+]1CCCCC1)NC1=[NH+]C[C@H](C)S1 ZINC000049502355 177281923 /nfs/dbraw/zinc/28/19/23/177281923.db2.gz OGEYRMSCOMSAIA-MNOVXSKESA-N 2 0 241.404 1.942 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](Cc2cccnc2)C1 ZINC000049666591 177285578 /nfs/dbraw/zinc/28/55/78/177285578.db2.gz ADSFYHLVMSCPJI-BETUJISGSA-N 2 0 233.359 1.759 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CCc2ccccn2)C1 ZINC000049666559 177285777 /nfs/dbraw/zinc/28/57/77/177285777.db2.gz OOSLKUOTXNVDSL-OKILXGFUSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@H]1COC[C@H](C)[NH+]1CCC1CC[NH2+]CC1 ZINC000334602931 177299075 /nfs/dbraw/zinc/29/90/75/177299075.db2.gz UFIHKPLMAZRZFS-RYUDHWBXSA-N 2 0 226.364 1.485 10 0 BDAERP C[C@@H]1C[C@H](C)C[N@@H+](CC2(O)CC[NH2+]CC2)C1 ZINC000051015868 177313501 /nfs/dbraw/zinc/31/35/01/177313501.db2.gz LISVJODUYHATMV-TXEJJXNPSA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H]([NH2+]C[C@]1(C)CCCS1)[C@H]1CC[NH2+]C1 ZINC000400339382 226340965 /nfs/dbraw/zinc/34/09/65/226340965.db2.gz GIGYJWNHSPQSET-SRVKXCTJSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000400485079 226344619 /nfs/dbraw/zinc/34/46/19/226344619.db2.gz XDOXMLLOCDIMOM-QWRGUYRKSA-N 2 0 208.349 1.764 10 0 BDAERP CSCCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400599177 226347812 /nfs/dbraw/zinc/34/78/12/226347812.db2.gz WIFWJFKXPKFGPY-QWRGUYRKSA-N 2 0 216.394 1.717 10 0 BDAERP Cc1cc(CO)cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000252777193 487832280 /nfs/dbraw/zinc/83/22/80/487832280.db2.gz YLUXITIJVSIGEY-GXFFZTMASA-N 2 0 249.358 1.269 10 0 BDAERP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000400508152 533697402 /nfs/dbraw/zinc/69/74/02/533697402.db2.gz KQZOVANXOCEOPP-ZYHUDNBSSA-N 2 0 235.331 1.178 10 0 BDAERP c1cc2cnccc2c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000666845619 487889011 /nfs/dbraw/zinc/88/90/11/487889011.db2.gz ZTFZGENNXLOTHP-GFCCVEGCSA-N 2 0 241.338 1.934 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958469 323035238 /nfs/dbraw/zinc/03/52/38/323035238.db2.gz JUTDDTHQMVHTPY-BFHYXJOUSA-N 2 0 239.407 1.448 10 0 BDAERP COCCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958354 323035272 /nfs/dbraw/zinc/03/52/72/323035272.db2.gz AYMKCRWYYAUHQF-CHWSQXEVSA-N 2 0 228.380 1.781 10 0 BDAERP C[C@@H]([NH2+]CCCc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000571669338 323177088 /nfs/dbraw/zinc/17/70/88/323177088.db2.gz HQAOJHAJFIFDCO-ZIAGYGMSSA-N 2 0 247.386 1.992 10 0 BDAERP C[C@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400796101 324169092 /nfs/dbraw/zinc/16/90/92/324169092.db2.gz SUXUQLJHHVLEOT-FPMFFAJLSA-N 2 0 234.343 1.308 10 0 BDAERP C[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCC[NH2+]C1 ZINC000566091064 325993058 /nfs/dbraw/zinc/99/30/58/325993058.db2.gz YVNJCUPTJWSLPV-QWHCGFSZSA-N 2 0 242.407 1.763 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000566555621 326063394 /nfs/dbraw/zinc/06/33/94/326063394.db2.gz BZCMYRVYNPCPMF-GWCFXTLKSA-N 2 0 226.364 1.125 10 0 BDAERP Cc1cccnc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566732281 326077409 /nfs/dbraw/zinc/07/74/09/326077409.db2.gz VNQYILXNIAQYGF-ZIAGYGMSSA-N 2 0 247.386 1.910 10 0 BDAERP CC(C)[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567642381 326237371 /nfs/dbraw/zinc/23/73/71/326237371.db2.gz ROZRBJGAZYUOED-CHWSQXEVSA-N 2 0 227.396 1.304 10 0 BDAERP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000568618538 326367816 /nfs/dbraw/zinc/36/78/16/326367816.db2.gz KTKISMTVBFQRPO-RYUDHWBXSA-N 2 0 222.332 1.718 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC(C)(C)[NH3+] ZINC000084165184 490377472 /nfs/dbraw/zinc/37/74/72/490377472.db2.gz AIZZFGNYODFCLM-LLVKDONJSA-N 2 0 243.395 1.206 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000086403432 490414528 /nfs/dbraw/zinc/41/45/28/490414528.db2.gz YVIHUZFQQRTMJU-WOPDTQHZSA-N 2 0 212.337 1.415 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127996890 490567554 /nfs/dbraw/zinc/56/75/54/490567554.db2.gz XSNCLKOMIIAARE-MJBXVCDLSA-N 2 0 238.375 1.772 10 0 BDAERP COC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757132853 582508243 /nfs/dbraw/zinc/50/82/43/582508243.db2.gz SAJSDWULDDOACN-AVGNSLFASA-N 2 0 226.364 1.628 10 0 BDAERP C[C@H]1CC[C@@]2(CCCN2CCC[NH+](C)C)C[NH2+]1 ZINC000757133983 582510291 /nfs/dbraw/zinc/51/02/91/582510291.db2.gz VUMAWTKOJCVXOD-KBPBESRZSA-N 2 0 239.407 1.545 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757149907 582534061 /nfs/dbraw/zinc/53/40/61/582534061.db2.gz WWHBZQLCPNNTBI-LLVKDONJSA-N 2 0 210.321 1.197 10 0 BDAERP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000400518585 533988822 /nfs/dbraw/zinc/98/88/22/533988822.db2.gz NSQILCKCWNLCNX-REWJHTLYSA-N 2 0 237.391 1.201 10 0 BDAERP CCc1ccc(C[N@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)cc1 ZINC000253606539 523930513 /nfs/dbraw/zinc/93/05/13/523930513.db2.gz POACMADOUNDKOW-QKDCVEJESA-N 2 0 230.355 1.886 10 0 BDAERP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400383875 528112853 /nfs/dbraw/zinc/11/28/53/528112853.db2.gz LGKQJQKLRRWBEC-CHWSQXEVSA-N 2 0 227.396 1.306 10 0 BDAERP CC[NH+](CC)C[C@H](C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400420612 528179521 /nfs/dbraw/zinc/17/95/21/528179521.db2.gz WRUHHIZPLPEUML-XQQFMLRXSA-N 2 0 227.396 1.304 10 0 BDAERP CCC(O)(CC)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400336794 528976394 /nfs/dbraw/zinc/97/63/94/528976394.db2.gz DNUXVMHXSBENIX-GHMZBOCLSA-N 2 0 214.353 1.125 10 0 BDAERP CCC[NH+]1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000022221427 534931539 /nfs/dbraw/zinc/93/15/39/534931539.db2.gz WBLINPOFLCFUQZ-UHFFFAOYSA-N 2 0 234.347 1.072 10 0 BDAERP C[NH+](C)Cc1ccccc1N1CC[NH2+]CC1 ZINC000060253216 536048501 /nfs/dbraw/zinc/04/85/01/536048501.db2.gz ATTCCASKRFESFD-UHFFFAOYSA-N 2 0 219.332 1.158 10 0 BDAERP CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000675053762 566415501 /nfs/dbraw/zinc/41/55/01/566415501.db2.gz LFBDSFCTAHHWMR-MGPQQGTHSA-N 2 0 239.407 1.530 10 0 BDAERP COC[C@H](C)C[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757128263 582503182 /nfs/dbraw/zinc/50/31/82/582503182.db2.gz JWMQKBGFOKQSFE-MGPQQGTHSA-N 2 0 240.391 1.875 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@H]1CCCC[C@@H]1CO2 ZINC000757139407 582519873 /nfs/dbraw/zinc/51/98/73/582519873.db2.gz GYZWVRIUMCNPLV-OLZOCXBDSA-N 2 0 238.375 1.977 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757142495 582522820 /nfs/dbraw/zinc/52/28/20/582522820.db2.gz LFQZTSFZOQCFPT-ONGXEEELSA-N 2 0 234.290 1.442 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@@H](C)C1(CC1)CO2 ZINC000757144995 582526347 /nfs/dbraw/zinc/52/63/47/582526347.db2.gz OAAQWKKOHHMMIR-NSHDSACASA-N 2 0 224.348 1.587 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757152765 582537786 /nfs/dbraw/zinc/53/77/86/582537786.db2.gz UWAQFXPGUAXLCN-UHFFFAOYSA-N 2 0 224.348 1.731 10 0 BDAERP [NH3+]C[C@@H]1CC[C@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757209845 582560302 /nfs/dbraw/zinc/56/03/02/582560302.db2.gz DDCANYMKXXVDEZ-WCQYABFASA-N 2 0 218.300 1.499 10 0 BDAERP COC[C@@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188408809 582673868 /nfs/dbraw/zinc/67/38/68/582673868.db2.gz KQYFGRCOVIYYLT-QWHCGFSZSA-N 2 0 237.347 1.630 10 0 BDAERP COCC[C@@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757133728 586427124 /nfs/dbraw/zinc/42/71/24/586427124.db2.gz UBXGLMPGVVJKSP-CHWSQXEVSA-N 2 0 226.364 1.629 10 0 BDAERP CC(=O)c1cccc([C@@H]2C[NH2+]C[C@H](C[NH3+])C2)c1 ZINC000757212330 586439417 /nfs/dbraw/zinc/43/94/17/586439417.db2.gz IIKGPQHBOVZNIF-FZMZJTMJSA-N 2 0 232.327 1.541 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](C2CCOCC2)[NH2+]1 ZINC000757213219 586439499 /nfs/dbraw/zinc/43/94/99/586439499.db2.gz OZLDGWDVNYEERS-ADEWGFFLSA-N 2 0 212.337 1.128 10 0 BDAERP CC1(C)CC2(CC(=O)O[C@H]2C[NH3+])CC(C)(C)[NH2+]1 ZINC000757215270 586440249 /nfs/dbraw/zinc/44/02/49/586440249.db2.gz CSDQBTAXQZGUQR-VIFPVBQESA-N 2 0 240.347 1.188 10 0 BDAERP [NH3+]CC[C@@H]1CC[C@H](c2cccc(C[NH3+])c2)[NH2+]C1 ZINC000757215963 586440756 /nfs/dbraw/zinc/44/07/56/586440756.db2.gz OOFFXXURQWUFNC-SMDDNHRTSA-N 3 0 233.359 1.535 10 0 BDAERP Nc1cccc([C@@H]2[NH2+]CCC[C@@H]2C[NH3+])c1 ZINC000757215393 586440811 /nfs/dbraw/zinc/44/08/11/586440811.db2.gz NIFAOGOMKGNTLC-PWSUYJOCSA-N 2 0 205.305 1.268 10 0 BDAERP C[C@@H]1C[C@H]([NH3+])CN[C@H]1c1ccc(C[NH3+])cc1 ZINC000757217279 586441700 /nfs/dbraw/zinc/44/17/00/586441700.db2.gz RUXMKWVVDLFNNQ-JIMOISOXSA-N 2 0 219.332 1.143 10 0 BDAERP [NH3+]C[C@H]1CCC[NH2+][C@H]1c1ccc(C=O)s1 ZINC000757220347 586442007 /nfs/dbraw/zinc/44/20/07/586442007.db2.gz YUEQTPRTMIRMTF-LDYMZIIASA-N 2 0 224.329 1.560 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2ccc(C=O)s2)[NH2+]1 ZINC000757220857 586442757 /nfs/dbraw/zinc/44/27/57/586442757.db2.gz ZRNHIUHQIQMIPC-LNLATYFQSA-N 2 0 238.356 1.949 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1N[C@@H](C)CC[C@@H]1[NH3+] ZINC000757228378 586442792 /nfs/dbraw/zinc/44/27/92/586442792.db2.gz CJNJHUYNNJOXHA-XDTLVQLUSA-N 2 0 219.332 1.718 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000757237353 586443822 /nfs/dbraw/zinc/44/38/22/586443822.db2.gz PXMBKHZECYVMFV-MNOVXSKESA-N 2 0 219.332 1.229 10 0 BDAERP C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168724106 633145811 /nfs/dbraw/zinc/14/58/11/633145811.db2.gz VRQIYKNWEUTVKI-VXGBXAGGSA-N 2 0 222.332 1.942 10 0 BDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCC[NH3+] ZINC000094462177 635354031 /nfs/dbraw/zinc/35/40/31/635354031.db2.gz HKRCMNHIVNFQBK-UONOGXRCSA-N 2 0 239.407 1.674 10 0 BDAERP [NH3+][C@H](CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000669372598 636549733 /nfs/dbraw/zinc/54/97/33/636549733.db2.gz UJSVKIRFCWJBTC-UONOGXRCSA-N 2 0 218.344 1.946 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@H]21 ZINC000228533557 640878855 /nfs/dbraw/zinc/87/88/55/640878855.db2.gz JSCQWLZBEPHUGC-YVECIDJPSA-N 2 0 224.348 1.225 10 0 BDAERP CSCC[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000228880434 640902749 /nfs/dbraw/zinc/90/27/49/640902749.db2.gz SXTCJGKAEXDKDI-WHXUTIOJSA-N 2 0 216.394 1.988 10 0 BDAERP CSC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000229086335 640921343 /nfs/dbraw/zinc/92/13/43/640921343.db2.gz ISLHFSVZVBAUSP-SNVBAGLBSA-N 2 0 216.394 1.860 10 0 BDAERP [NH3+]CCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000062321494 641036153 /nfs/dbraw/zinc/03/61/53/641036153.db2.gz KBUGCUUEKKBLQD-UHFFFAOYSA-N 2 0 222.336 1.218 10 0 BDAERP C[N@H+](C[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666811 643363155 /nfs/dbraw/zinc/36/31/55/643363155.db2.gz IRFPNBAPLVTDPV-VXGBXAGGSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]1C[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000085014287 643679989 /nfs/dbraw/zinc/67/99/89/643679989.db2.gz JJOBQTNIKGDTAG-YFKTTZPYSA-N 2 0 212.337 1.223 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(N)n1 ZINC000093232609 644682569 /nfs/dbraw/zinc/68/25/69/644682569.db2.gz LQNRJKFHYXREFQ-LLVKDONJSA-N 2 0 249.362 1.288 10 0 BDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH2+]C1CC1 ZINC000094459212 644719091 /nfs/dbraw/zinc/71/90/91/644719091.db2.gz CKMAEGOCMOTJNZ-TZMCWYRMSA-N 2 0 237.391 1.297 10 0 BDAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](C)O ZINC000309060827 711585723 /nfs/dbraw/zinc/58/57/23/711585723.db2.gz WNWZPERTTKUTCT-VWYCJHECSA-N 2 0 214.353 1.076 10 0 BDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCCO1)C2 ZINC000702629314 712057164 /nfs/dbraw/zinc/05/71/64/712057164.db2.gz BXLZIXWYPHKKKA-UPJWGTAASA-N 2 0 224.348 1.097 10 0 BDAERP C[C@@H]([NH2+]CCc1ccns1)[C@H]1CC[NH2+]C1 ZINC000709967902 712235675 /nfs/dbraw/zinc/23/56/75/712235675.db2.gz RLBXBHNVTNVDGQ-ZJUUUORDSA-N 2 0 225.361 1.273 10 0 BDAERP CC(C)C1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000378857579 712363405 /nfs/dbraw/zinc/36/34/05/712363405.db2.gz LQZHQUMABJPYDN-GFCCVEGCSA-N 2 0 226.364 1.221 10 0 BDAERP COCC1CC([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000714004596 712476974 /nfs/dbraw/zinc/47/69/74/712476974.db2.gz DAQNDAJZPDFTDA-RSJDFQLWSA-N 2 0 212.337 1.128 10 0 BDAERP Cc1cc(C)nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000723877187 711541985 /nfs/dbraw/zinc/54/19/85/711541985.db2.gz RMDOICGWCPNBNO-QEJZJMRPSA-N 2 0 245.370 1.868 10 0 BDAERP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCOC1 ZINC000723990348 711551770 /nfs/dbraw/zinc/55/17/70/711551770.db2.gz ZGTKYPVGSDMWCL-IHRRRGAJSA-N 2 0 240.391 1.923 10 0 BDAERP CC[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000724009749 711555036 /nfs/dbraw/zinc/55/50/36/711555036.db2.gz NZAZDPZTOHLIHN-AAEUAGOBSA-N 2 0 226.364 1.533 10 0 BDAERP OCc1c[nH+]ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000126538761 711768708 /nfs/dbraw/zinc/76/87/08/711768708.db2.gz JUBZYDHQTAOJEA-CYBMUJFWSA-N 2 0 247.342 1.248 10 0 BDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1)[NH2+]2 ZINC000709282374 712219007 /nfs/dbraw/zinc/21/90/07/712219007.db2.gz BSUKLVOXDUDDJS-JJEKRJTGSA-N 2 0 238.375 1.409 10 0 BDAERP C[C@H]([NH2+]CCc1ccns1)[C@H]1CC[NH2+]C1 ZINC000709967900 712235969 /nfs/dbraw/zinc/23/59/69/712235969.db2.gz RLBXBHNVTNVDGQ-UWVGGRQHSA-N 2 0 225.361 1.273 10 0 BDAERP C[C@H]([NH2+]CCc1ccns1)[C@@H]1CCC[NH2+]C1 ZINC000709985276 712237054 /nfs/dbraw/zinc/23/70/54/712237054.db2.gz SEZSAKXTZIXFHC-WDEREUQCSA-N 2 0 239.388 1.663 10 0 BDAERP COCC1CC([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000713927190 712473408 /nfs/dbraw/zinc/47/34/08/712473408.db2.gz JOHSBKDTJRRDRK-UHFFFAOYSA-N 2 0 226.364 1.343 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H](C)[C@H](C)OC)CC1 ZINC000714754866 712497785 /nfs/dbraw/zinc/49/77/85/712497785.db2.gz YQKRXZIPCMBCOX-QWRGUYRKSA-N 2 0 214.353 1.613 10 0 BDAERP CCC1([NH3+])CCN(C2CC[NH+](C)CC2)CC1 ZINC000714756052 712498002 /nfs/dbraw/zinc/49/80/02/712498002.db2.gz DZOCMKWHLGFHTC-UHFFFAOYSA-N 3 0 225.380 1.284 10 0 BDAERP C[C@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C[NH3+] ZINC000714799520 712498331 /nfs/dbraw/zinc/49/83/31/712498331.db2.gz JVZNOJXVMRMKLX-GHYVTOPFSA-N 2 0 222.376 1.949 10 0 BDAERP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000716665304 712569053 /nfs/dbraw/zinc/56/90/53/712569053.db2.gz HCTPTLJRATWRSL-URBCHYCLSA-N 2 0 208.349 1.620 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000717375794 712652711 /nfs/dbraw/zinc/65/27/11/712652711.db2.gz MROHOXVWEMETAB-YNEHKIRRSA-N 2 0 240.391 1.779 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCOCC2 ZINC000685955290 538900417 /nfs/dbraw/zinc/90/04/17/538900417.db2.gz XHRPUWRPVSOMIY-VXGBXAGGSA-N 2 0 212.337 1.369 10 0 BDAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955131 538900942 /nfs/dbraw/zinc/90/09/42/538900942.db2.gz UFHMYLPCBFVKRD-XQHKEYJVSA-N 2 0 226.364 1.754 10 0 BDAERP CCc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685965629 538912307 /nfs/dbraw/zinc/91/23/07/538912307.db2.gz LZRLBOCEMINQDE-CHWSQXEVSA-N 2 0 204.317 1.653 10 0 BDAERP Cc1ccc(C)c([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965675 538912629 /nfs/dbraw/zinc/91/26/29/538912629.db2.gz OINPOFKNJKKFPT-OLZOCXBDSA-N 2 0 204.317 1.708 10 0 BDAERP CCC(CC)(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392242 168323044 /nfs/dbraw/zinc/32/30/44/168323044.db2.gz YFDMPSCGRQZKDP-UHFFFAOYSA-N 2 0 241.423 1.778 10 0 BDAERP CCC(CC)(C[NH2+]C1CC1)C[N@H+](C)C[C@H](C)O ZINC000051840495 168326053 /nfs/dbraw/zinc/32/60/53/168326053.db2.gz BXFXIZHZRRPGMD-LBPRGKRZSA-N 2 0 242.407 1.857 10 0 BDAERP Cc1ccc(C(N)=[NH2+])c(OCCC[NH+](C)C)c1 ZINC000051581338 178369102 /nfs/dbraw/zinc/36/91/02/178369102.db2.gz RKDQKTNMEICKMG-UHFFFAOYSA-N 2 0 235.331 1.610 10 0 BDAERP Cc1ccc(C(N)=[NH2+])c(N(C)CCC[NH+](C)C)c1 ZINC000104199425 178369287 /nfs/dbraw/zinc/36/92/87/178369287.db2.gz KMZQFLCYZQXZHK-UHFFFAOYSA-N 2 0 248.374 1.667 10 0 BDAERP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631844249 398290563 /nfs/dbraw/zinc/29/05/63/398290563.db2.gz VZPOHDLDOUPJIQ-PWSUYJOCSA-N 2 0 222.307 1.852 10 0 BDAERP c1ncn(Cc2ccccc2)c1[C@H]1C[NH2+]CCO1 ZINC000097007739 344004086 /nfs/dbraw/zinc/00/40/86/344004086.db2.gz MPCPHUKHVZHGAW-CQSZACIVSA-N 2 0 243.310 1.592 10 0 BDAERP CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000381318020 538998161 /nfs/dbraw/zinc/99/81/61/538998161.db2.gz NUAMATFJSQPEQE-ZWNOBZJWSA-N 2 0 219.332 1.564 10 0 BDAERP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCCOC)C1 ZINC000390505599 539022771 /nfs/dbraw/zinc/02/27/71/539022771.db2.gz WTYFIZSWNQHWMK-YNEHKIRRSA-N 2 0 228.380 1.731 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386017503 342901890 /nfs/dbraw/zinc/90/18/90/342901890.db2.gz NXMMKXIXEMSACB-RDBSUJKOSA-N 2 0 239.407 1.591 10 0 BDAERP CC(C)[NH+]1CCC(N2CCC([NH3+])CC2)CC1 ZINC000020521642 342989486 /nfs/dbraw/zinc/98/94/86/342989486.db2.gz WUQMGAHXDZHBMT-UHFFFAOYSA-N 2 0 225.380 1.282 10 0 BDAERP C[C@H]1[C@H]2CN(Cc3ccccc3)C[C@@]12[NH3+] ZINC000238446215 343257059 /nfs/dbraw/zinc/25/70/59/343257059.db2.gz HXQPSZLCWXFUED-CYZMBNFOSA-N 2 0 202.301 1.466 10 0 BDAERP COC[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000084222782 136290855 /nfs/dbraw/zinc/29/08/55/136290855.db2.gz BXTGYDZMDGHJEQ-WOPDTQHZSA-N 2 0 214.353 1.374 10 0 BDAERP C[C@]1(C[NH+]2CCSCC2)CCC[C@@H]1[NH3+] ZINC000134947933 343268090 /nfs/dbraw/zinc/26/80/90/343268090.db2.gz IIETVAFDIXSCNG-WDEREUQCSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCC[NH2+]C1 ZINC000584107182 343597506 /nfs/dbraw/zinc/59/75/06/343597506.db2.gz NUCZNYLKHRGXMH-OCCSQVGLSA-N 2 0 248.370 1.912 10 0 BDAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[Si](C)(C)C ZINC000401837781 343736518 /nfs/dbraw/zinc/73/65/18/343736518.db2.gz FSRRWKNZONWOPL-NXEZZACHSA-N 2 0 200.402 1.675 10 0 BDAERP [NH3+][C@H](CN1CCC([NH3+])CC1)c1ccccc1 ZINC000059732102 343712488 /nfs/dbraw/zinc/71/24/88/343712488.db2.gz DNVMQMDQDCOVRX-CYBMUJFWSA-N 2 0 219.332 1.110 10 0 BDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000584183449 343770898 /nfs/dbraw/zinc/77/08/98/343770898.db2.gz IULZUXAHRJQFKI-BFHYXJOUSA-N 2 0 240.391 1.611 10 0 BDAERP OC[C@]12C[N@@H+](C3CC[NH2+]CC3)C[C@H]1CCCC2 ZINC000409435593 343834384 /nfs/dbraw/zinc/83/43/84/343834384.db2.gz VOUUQZXGPPCBRE-OCCSQVGLSA-N 2 0 238.375 1.223 10 0 BDAERP COC[C@@]12CCC[C@H]1C[N@H+](CCC[NH3+])C2 ZINC000409436263 343838136 /nfs/dbraw/zinc/83/81/36/343838136.db2.gz YXFZTBPJGIGWEJ-RYUDHWBXSA-N 2 0 212.337 1.084 10 0 BDAERP O[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C[C@H]1CC1CC1 ZINC000409435754 343839840 /nfs/dbraw/zinc/83/98/40/343839840.db2.gz WJVHUMGURGNWTL-TZMCWYRMSA-N 2 0 238.375 1.221 10 0 BDAERP C[C@@H]1C[C@H](N)C[N@H+](C[Si](C)(C)C)C1 ZINC000401868968 343917231 /nfs/dbraw/zinc/91/72/31/343917231.db2.gz VBSWPIJILSGIHJ-ZJUUUORDSA-N 2 0 200.402 1.533 10 0 BDAERP C[C@@H]1SCCC[C@@H]1[N@@H+]1CC[C@@H](N)C1 ZINC000227532433 344483565 /nfs/dbraw/zinc/48/35/65/344483565.db2.gz XNVCHVARDWPJOC-AEJSXWLSSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H]([C@@H]1CCOC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000390088212 323083379 /nfs/dbraw/zinc/08/33/79/323083379.db2.gz HHKJFKZDPVKRGL-FDYHWXHSSA-N 2 0 226.364 1.328 10 0 BDAERP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000248152333 345059534 /nfs/dbraw/zinc/05/95/34/345059534.db2.gz XXYORQBLIVDNEL-ZIAGYGMSSA-N 2 0 234.343 1.089 10 0 BDAERP C[N@@H+]1CCC[C@@H](CNC2=[NH+]CCS2)C1 ZINC000044538300 345112739 /nfs/dbraw/zinc/11/27/39/345112739.db2.gz RGFFDXHXNCVYLR-VIFPVBQESA-N 2 0 213.350 1.021 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000307214517 345240098 /nfs/dbraw/zinc/24/00/98/345240098.db2.gz RUUVAZTZMDLPIK-AEJSXWLSSA-N 2 0 214.378 1.740 10 0 BDAERP COC1(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000634998288 345198199 /nfs/dbraw/zinc/19/81/99/345198199.db2.gz CYQZLRRFPCUXBB-NEPJUHHUSA-N 2 0 226.364 1.472 10 0 BDAERP C[C@@H]1C[N@H+](Cc2cccc(O)c2)C[C@@H]1C[NH3+] ZINC000635000135 345201904 /nfs/dbraw/zinc/20/19/04/345201904.db2.gz HWONBRVQXCXUKM-PWSUYJOCSA-N 2 0 220.316 1.419 10 0 BDAERP CCC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000635006076 345210540 /nfs/dbraw/zinc/21/05/40/345210540.db2.gz XHXXUCILHQWPIQ-SDDRHHMPSA-N 2 0 214.353 1.125 10 0 BDAERP C=Cc1ccc(CN(CCC[NH3+])CCC[NH3+])cc1 ZINC000168304761 345812331 /nfs/dbraw/zinc/81/23/31/345812331.db2.gz PFWKWWXMPSNZLE-UHFFFAOYSA-N 2 0 247.386 1.829 10 0 BDAERP CC[C@H](C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377539 537964826 /nfs/dbraw/zinc/96/48/26/537964826.db2.gz STNPBWJBVJDOIR-CABCVRRESA-N 2 0 248.370 1.608 10 0 BDAERP CC(C)(C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377590 537965034 /nfs/dbraw/zinc/96/50/34/537965034.db2.gz UMDIVSQNDQYLHS-HNNXBMFYSA-N 2 0 248.370 1.608 10 0 BDAERP CC[N@H+](CC(C)C)C[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000669378615 537969435 /nfs/dbraw/zinc/96/94/35/537969435.db2.gz JFHFPWIHLQGPPO-STQMWFEESA-N 2 0 227.396 1.149 10 0 BDAERP Cc1cccc(CC[NH2+][C@@H]2CCN(C)C2)c1 ZINC000061989872 179059911 /nfs/dbraw/zinc/05/99/11/179059911.db2.gz CVYVDEBLZXYNEG-CQSZACIVSA-N 2 0 218.344 1.831 10 0 BDAERP COc1cccnc1N1CCC(C[NH3+])CC1 ZINC000160179281 346443461 /nfs/dbraw/zinc/44/34/61/346443461.db2.gz ZUDMJBJPVZAGBQ-UHFFFAOYSA-N 2 0 221.304 1.265 10 0 BDAERP Cc1cccc(C[C@@H]2C[N@H+](C)CC[C@H]2[NH3+])c1 ZINC000257596653 179104528 /nfs/dbraw/zinc/10/45/28/179104528.db2.gz PJBGXUDMHIMCNH-ZIAGYGMSSA-N 2 0 218.344 1.817 10 0 BDAERP C[C@H](NC[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000580182114 346621630 /nfs/dbraw/zinc/62/16/30/346621630.db2.gz GLAJKSBENFJBHT-AVGNSLFASA-N 2 0 225.380 1.058 10 0 BDAERP Cc1cccc(NCCCN2CC[NH2+]CC2)[nH+]1 ZINC000037670833 179144284 /nfs/dbraw/zinc/14/42/84/179144284.db2.gz QIRFWPVXUUNWOZ-UHFFFAOYSA-N 2 0 234.347 1.097 10 0 BDAERP Cc1cccc(OC[C@H](CC[NH3+])[NH+](C)C)c1C ZINC000020401577 179170819 /nfs/dbraw/zinc/17/08/19/179170819.db2.gz XCQSINGHZSQFCY-ZDUSSCGKSA-N 2 0 236.359 1.961 10 0 BDAERP CCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000309839848 347182913 /nfs/dbraw/zinc/18/29/13/347182913.db2.gz ODPSDEUWSJJRNF-SRVKXCTJSA-N 2 0 214.353 1.125 10 0 BDAERP CO[C@@H]([C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000388261491 347275927 /nfs/dbraw/zinc/27/59/27/347275927.db2.gz AGZWPWIJXLKEEB-RTXFEEFZSA-N 2 0 226.364 1.532 10 0 BDAERP C[NH2+][C@H]1CCN(C[C@H]2CCCS2)C1 ZINC000250697245 362817088 /nfs/dbraw/zinc/81/70/88/362817088.db2.gz BTJANXBKQUESSY-VHSXEESVSA-N 2 0 200.351 1.176 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000250768359 362819530 /nfs/dbraw/zinc/81/95/30/362819530.db2.gz UBZZTJZRQULCIR-QWRGUYRKSA-N 2 0 214.378 1.423 10 0 BDAERP C[C@@H]1C[C@H](c2cc(C[NH3+])ccc2N)CC[NH2+]1 ZINC000669380466 537989474 /nfs/dbraw/zinc/98/94/74/537989474.db2.gz NWVDOYZDTNVWBI-MWLCHTKSSA-N 2 0 219.332 1.583 10 0 BDAERP C[C@H](CC[NH3+])[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000251539193 362884632 /nfs/dbraw/zinc/88/46/32/362884632.db2.gz BIFJZLQQNHZCBM-OPRDCNLKSA-N 2 0 202.367 1.550 10 0 BDAERP CCSC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000596653602 348607163 /nfs/dbraw/zinc/60/71/63/348607163.db2.gz WGAFDCLSLGPWEG-MNOVXSKESA-N 2 0 228.405 1.860 10 0 BDAERP C[C@H]1CSCCN1[C@H]1CCCC[NH2+]C1 ZINC000251837155 362932836 /nfs/dbraw/zinc/93/28/36/362932836.db2.gz QBKGJVSBKYXGOS-QWRGUYRKSA-N 2 0 214.378 1.566 10 0 BDAERP Cc1cccc(C[C@H]2C[N@H+](C)CC[C@H]2[NH3+])c1 ZINC000006780160 350088087 /nfs/dbraw/zinc/08/80/87/350088087.db2.gz PJBGXUDMHIMCNH-UONOGXRCSA-N 2 0 218.344 1.817 10 0 BDAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000252434171 538087879 /nfs/dbraw/zinc/08/78/79/538087879.db2.gz FGELWYDEOFDIOV-OUCADQQQSA-N 2 0 240.391 1.874 10 0 BDAERP CC(C)C[C@H](CNC1CC[NH2+]CC1)[NH+](C)C ZINC000038040778 350303032 /nfs/dbraw/zinc/30/30/32/350303032.db2.gz DBCWZSBCSLBQIQ-CYBMUJFWSA-N 2 0 227.396 1.304 10 0 BDAERP Cc1nn(CCC[NH+]2CCCC2)c(C)c1C[NH3+] ZINC000049333973 180387021 /nfs/dbraw/zinc/38/70/21/180387021.db2.gz AQMGYAZWEGCFFB-UHFFFAOYSA-N 2 0 236.363 1.445 10 0 BDAERP Cc1nn(CC[NH+](C)C)c(C)c1C[NH2+]C1CC1 ZINC000036868863 180387903 /nfs/dbraw/zinc/38/79/03/180387903.db2.gz WPPLSTYUIRUIEP-UHFFFAOYSA-N 2 0 236.363 1.314 10 0 BDAERP CC(=[NH2+])N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000307024501 351433366 /nfs/dbraw/zinc/43/33/66/351433366.db2.gz YRBSZFSAOBXAPL-WDNDVIMCSA-N 2 0 229.327 1.704 10 0 BDAERP CS[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000307232742 351688108 /nfs/dbraw/zinc/68/81/08/351688108.db2.gz DQXNRFBMLKMPRB-SNVBAGLBSA-N 2 0 200.351 1.176 10 0 BDAERP CS[C@H]1CCN([C@H]2CCCC[NH2+]C2)C1 ZINC000307254988 351790560 /nfs/dbraw/zinc/79/05/60/351790560.db2.gz YZBJLLJZRPNTRA-QWRGUYRKSA-N 2 0 214.378 1.566 10 0 BDAERP CCCCCC[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038121 168661874 /nfs/dbraw/zinc/66/18/74/168661874.db2.gz KVBCXMKMUPNLQT-UHFFFAOYSA-N 2 0 241.423 1.923 10 0 BDAERP C[C@@H](C[NH3+])[C@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307494421 352625020 /nfs/dbraw/zinc/62/50/20/352625020.db2.gz HTHLDRSEOCTVEW-AXFHLTTASA-N 2 0 216.394 1.797 10 0 BDAERP C[NH+](C)CCOc1ccc(Cl)cc1C[NH3+] ZINC000011800998 187817686 /nfs/dbraw/zinc/81/76/86/187817686.db2.gz XEYROFBQZAJUQA-UHFFFAOYSA-N 2 0 228.723 1.739 10 0 BDAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1C1CSC1 ZINC000307131048 353056715 /nfs/dbraw/zinc/05/67/15/353056715.db2.gz SPRPYGDTPGOQDZ-IUCAKERBSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1[C@@H]([NH3+])CCCN1[C@@H]1CCSC1 ZINC000307604387 353087227 /nfs/dbraw/zinc/08/72/27/353087227.db2.gz VZMJSJGRNIJOEC-BBBLOLIVSA-N 2 0 200.351 1.304 10 0 BDAERP C1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CS1 ZINC000231347021 353595583 /nfs/dbraw/zinc/59/55/83/353595583.db2.gz LZWRIFCEMDEFLV-VHSXEESVSA-N 2 0 200.351 1.224 10 0 BDAERP Cc1cccc(C[NH2+]C2CCN(CCO)CC2)c1 ZINC000399020711 353694279 /nfs/dbraw/zinc/69/42/79/353694279.db2.gz HCZSGUCRYKPRJT-UHFFFAOYSA-N 2 0 248.370 1.541 10 0 BDAERP CCC[C@@H]1C[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000233309531 363399792 /nfs/dbraw/zinc/39/97/92/363399792.db2.gz SPCMCDZZLVUHGU-GRYCIOLGSA-N 2 0 214.353 1.519 10 0 BDAERP CSCCCCCN[C@H]1CC[NH2+]C1 ZINC000235179983 363438188 /nfs/dbraw/zinc/43/81/88/363438188.db2.gz XQLMCRHPGHOONJ-JTQLQIEISA-N 2 0 202.367 1.471 10 0 BDAERP C[C@@H]1SCC[C@@H]1[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405807918 355301785 /nfs/dbraw/zinc/30/17/85/355301785.db2.gz RVKCXGVBJNHHGN-GUBZILKMSA-N 2 0 200.351 1.304 10 0 BDAERP NC(=[NH2+])c1cccc(C[N@@H+]2CCCOCC2)c1 ZINC000061919005 181195838 /nfs/dbraw/zinc/19/58/38/181195838.db2.gz WISUWIFHIOTISG-UHFFFAOYSA-N 2 0 233.315 1.193 10 0 BDAERP C[C@@]1(NC(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC000405975134 355515785 /nfs/dbraw/zinc/51/57/85/355515785.db2.gz BEUUURVEGHWHJZ-CYBMUJFWSA-N 2 0 232.331 1.134 10 0 BDAERP C[C@@H]1C[N@@H+](CCC2C[NH2+]C2)C[C@H](C)S1 ZINC000129711913 355923085 /nfs/dbraw/zinc/92/30/85/355923085.db2.gz MSLINHDEHFZICR-AOOOYVTPSA-N 2 0 214.378 1.422 10 0 BDAERP C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1[NH3+] ZINC000420364794 192223537 /nfs/dbraw/zinc/22/35/37/192223537.db2.gz IRUDJRXKIVQNHQ-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP C[C@H]1CC[C@H](O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000421033295 192309797 /nfs/dbraw/zinc/30/97/97/192309797.db2.gz XNICENHWWFUMPG-KBPBESRZSA-N 2 0 240.391 1.708 10 0 BDAERP CC(C)[NH+]1CCN(CC23CCC(CC2)[NH2+]3)CC1 ZINC000675056688 538479145 /nfs/dbraw/zinc/47/91/45/538479145.db2.gz VIMQSIIPRXMTIV-UHFFFAOYSA-N 2 0 237.391 1.297 10 0 BDAERP CCC[N@H+](C)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059735 538485288 /nfs/dbraw/zinc/48/52/88/538485288.db2.gz VZPOTMISCQSLJR-OAHLLOKOSA-N 2 0 248.370 1.708 10 0 BDAERP O[C@@H](C[NH+]1CCC1)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059866 538485735 /nfs/dbraw/zinc/48/57/35/538485735.db2.gz WUMWWDNRZAAKGV-AWEZNQCLSA-N 2 0 232.327 1.071 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1CCSCC1 ZINC000685950668 538893851 /nfs/dbraw/zinc/89/38/51/538893851.db2.gz DDSFDTDNQPYURX-URLYPYJESA-N 2 0 214.378 1.279 10 0 BDAERP CCN1C[C@H](C)[C@H]([NH2+]CC2(F)CC2)C1 ZINC000308570107 491137053 /nfs/dbraw/zinc/13/70/53/491137053.db2.gz BTAWDDOGPBGJHA-VHSXEESVSA-N 2 0 200.301 1.418 10 0 BDAERP CC(C)[N@H+](C)C[C@H]1COC(C)(C)[C@H]1[NH3+] ZINC000306248675 359445687 /nfs/dbraw/zinc/44/56/87/359445687.db2.gz XQUAPWNUMWQDMK-UWVGGRQHSA-N 2 0 200.326 1.079 10 0 BDAERP O[C@@]1([C@@H]2C=CC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306344237 359662893 /nfs/dbraw/zinc/66/28/93/359662893.db2.gz CKWIOFQLDHMHFO-GJZGRUSLSA-N 2 0 244.338 1.151 10 0 BDAERP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000089163563 359997037 /nfs/dbraw/zinc/99/70/37/359997037.db2.gz LRVGKZFHVKPKLC-TZMCWYRMSA-N 2 0 240.391 1.610 10 0 BDAERP CC(C)C[C@@H](C[NH2+]C1CCC([NH3+])CC1)N(C)C ZINC000094075594 360295515 /nfs/dbraw/zinc/29/55/15/360295515.db2.gz WSNQVSNIYLRJMT-RUXDESIVSA-N 2 0 241.423 1.822 10 0 BDAERP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCCNC1 ZINC000306584515 360481953 /nfs/dbraw/zinc/48/19/53/360481953.db2.gz QCNMWDALQYRLHX-KXUCPTDWSA-N 2 0 200.351 1.080 10 0 BDAERP C[C@@H]1C[NH+](C2CC[NH2+]CC2)C[C@@H](C)S1 ZINC000069908619 361014906 /nfs/dbraw/zinc/01/49/06/361014906.db2.gz ZOTHJAVNFDNSKK-NXEZZACHSA-N 2 0 214.378 1.564 10 0 BDAERP C[C@@H]1C[N@@H+](CCC(N)=[NH2+])C[C@H](C)S1 ZINC000069908663 361015445 /nfs/dbraw/zinc/01/54/45/361015445.db2.gz FKWOSNAEQCJTIY-OCAPTIKFSA-N 2 0 201.339 1.138 10 0 BDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379735528 361374940 /nfs/dbraw/zinc/37/49/40/361374940.db2.gz JAVFMMGVTICWII-NWDGAFQWSA-N 2 0 210.321 1.050 10 0 BDAERP [NH3+]C1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000629549604 361441672 /nfs/dbraw/zinc/44/16/72/361441672.db2.gz SOHUCWQWUJYFEO-FIYWTHMPSA-N 2 0 224.348 1.413 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000094076498 181341169 /nfs/dbraw/zinc/34/11/69/181341169.db2.gz VCHZADAWSOYDCP-JXQTWKCFSA-N 2 0 234.343 1.580 10 0 BDAERP [NH3+]C1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000051693516 181341667 /nfs/dbraw/zinc/34/16/67/181341667.db2.gz IENMZJACCDHTOH-UHFFFAOYSA-N 2 0 220.316 1.752 10 0 BDAERP CO[C@@H]1C[N@H+](CC(C)C)[C@](C)(C[NH3+])C1 ZINC000630354793 364077714 /nfs/dbraw/zinc/07/77/14/364077714.db2.gz AZIWGHNNKQPZAK-QWRGUYRKSA-N 2 0 200.326 1.081 10 0 BDAERP [NH3+]C1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000630343724 364068312 /nfs/dbraw/zinc/06/83/12/364068312.db2.gz NJBPKMLIQBUGHV-HACHORDNSA-N 2 0 240.269 1.159 10 0 BDAERP [NH3+]CC1(CN2CC[NH+](C3CC3)CC2)CCCC1 ZINC000051285153 181359158 /nfs/dbraw/zinc/35/91/58/181359158.db2.gz HUKBZOHZODSTSL-UHFFFAOYSA-N 2 0 237.391 1.286 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000051254850 181359283 /nfs/dbraw/zinc/35/92/83/181359283.db2.gz URVZWCHTNOMSML-GFCCVEGCSA-N 2 0 226.364 1.352 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)[C@H]1CCC[NH2+]C1 ZINC000573555638 364857518 /nfs/dbraw/zinc/85/75/18/364857518.db2.gz LVXLQCIBXUDVPO-RFQIPJPRSA-N 2 0 240.391 1.515 10 0 BDAERP [NH3+]CCN1CCC[N@@H+](C2CCCCC2)CC1 ZINC000037039801 181391601 /nfs/dbraw/zinc/39/16/01/181391601.db2.gz LAVPLICAOXPUKV-UHFFFAOYSA-N 2 0 225.380 1.286 10 0 BDAERP CS[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575914815 365412084 /nfs/dbraw/zinc/41/20/84/365412084.db2.gz FUADHCPNZPHRPK-OUAUKWLOSA-N 2 0 216.394 1.716 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386017490 367899187 /nfs/dbraw/zinc/89/91/87/367899187.db2.gz NXMMKXIXEMSACB-HZSPNIEDSA-N 2 0 239.407 1.591 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CC[C@@H]([NH3+])C2)CCS1 ZINC000252978749 368177024 /nfs/dbraw/zinc/17/70/24/368177024.db2.gz DLGDXSOKPCDVMQ-BBBLOLIVSA-N 2 0 200.351 1.304 10 0 BDAERP [NH3+][C@@H]1CCCN(C[C@@H]2CCCCS2)C1 ZINC000227021933 371769483 /nfs/dbraw/zinc/76/94/83/371769483.db2.gz HPSAFYUEEBVJRY-MNOVXSKESA-N 2 0 214.378 1.695 10 0 BDAERP C[C@H]1SCC[N@H+](CCC(C)(C)[NH3+])[C@H]1C ZINC000132466052 371830788 /nfs/dbraw/zinc/83/07/88/371830788.db2.gz XPKGBSJKBVHKTI-VHSXEESVSA-N 2 0 216.394 1.940 10 0 BDAERP C[C@@H]1C[N@H+](C[Si](C)(C)C)CC[C@@H]1[NH3+] ZINC000401638616 371796444 /nfs/dbraw/zinc/79/64/44/371796444.db2.gz GODILJJHBWUOJY-ZJUUUORDSA-N 2 0 200.402 1.533 10 0 BDAERP C[C@H]1CCSC(NCC[NH+](C)C)=[NH+]1 ZINC000133410000 372041608 /nfs/dbraw/zinc/04/16/08/372041608.db2.gz ILOFHKIFCHJXMS-QMMMGPOBSA-N 2 0 201.339 1.019 10 0 BDAERP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631837337 372627568 /nfs/dbraw/zinc/62/75/68/372627568.db2.gz RBPUEPRHFAUDMV-MFKMUULPSA-N 2 0 219.332 1.417 10 0 BDAERP CCc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839224 372635355 /nfs/dbraw/zinc/63/53/55/372635355.db2.gz CAWBGECRAPFXLO-KOLCDFICSA-N 2 0 237.347 1.572 10 0 BDAERP C[N@H+]([C@@H]1CCSC1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000040989184 373979061 /nfs/dbraw/zinc/97/90/61/373979061.db2.gz QZJNARKNPAPNKJ-KXUCPTDWSA-N 2 0 200.351 1.304 10 0 BDAERP COc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000143133948 374138365 /nfs/dbraw/zinc/13/83/65/374138365.db2.gz FUDDCZSYXZHRSG-KGLIPLIRSA-N 2 0 246.354 1.737 10 0 BDAERP OC1(C[NH+]2CCCCCCC2)CC[NH2+]CC1 ZINC000051015901 183018483 /nfs/dbraw/zinc/01/84/83/183018483.db2.gz DADQORKAYKMHOO-UHFFFAOYSA-N 2 0 226.364 1.367 10 0 BDAERP O[C@@H]1CCC[C@H]1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942168 183196872 /nfs/dbraw/zinc/19/68/72/183196872.db2.gz QUICEFGTZGPJLX-BFHYXJOUSA-N 2 0 238.375 1.318 10 0 BDAERP CCC[N@H+](CCN(C)C)CC1(C)CC[NH2+]CC1 ZINC000062841918 169157479 /nfs/dbraw/zinc/15/74/79/169157479.db2.gz ZLRGKBVPPWOKAJ-UHFFFAOYSA-N 2 0 241.423 1.650 10 0 BDAERP CCC[NH+]1CCC(N(CC)[C@@H]2CC[NH2+]C2)CC1 ZINC000071312133 169187358 /nfs/dbraw/zinc/18/73/58/169187358.db2.gz ZNFJIYPPRBIXHA-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP CCC[NH+]1CCN(C[C@@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000053860719 169202824 /nfs/dbraw/zinc/20/28/24/169202824.db2.gz IZPDYOCLQMCIQE-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000019266887 169203711 /nfs/dbraw/zinc/20/37/11/169203711.db2.gz LGXXSCHJMAPARW-OAHLLOKOSA-N 2 0 247.386 1.714 10 0 BDAERP CCC[NH+]1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000022173881 169203764 /nfs/dbraw/zinc/20/37/64/169203764.db2.gz CZWAOQPWRKJMTH-UHFFFAOYSA-N 2 0 247.386 1.673 10 0 BDAERP CCC[N@@H+]1CCc2nc(C[C@H](C)[NH3+])sc2C1 ZINC000054160948 169208999 /nfs/dbraw/zinc/20/89/99/169208999.db2.gz XRXUXRUEKUMQTG-VIFPVBQESA-N 2 0 239.388 1.801 10 0 BDAERP CCC[NH2+][C@H](C)CCN(C)CC[NH+]1CCCC1 ZINC000063051865 169286195 /nfs/dbraw/zinc/28/61/95/169286195.db2.gz WAYCSTHWOWKAPR-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965331 169281633 /nfs/dbraw/zinc/28/16/33/169281633.db2.gz QQILBCFSXQFRNP-BFHYXJOUSA-N 2 0 239.407 1.543 10 0 BDAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)CC[NH+](C)C ZINC000104202017 169282146 /nfs/dbraw/zinc/28/21/46/169282146.db2.gz VCLFWHLYQRHFMY-KGLIPLIRSA-N 2 0 241.423 1.791 10 0 BDAERP c1cn(CC[NH+]2CCCCC2)c(C[NH2+]C2CC2)n1 ZINC000051014986 183468611 /nfs/dbraw/zinc/46/86/11/183468611.db2.gz APWKOUBMOTUOCZ-UHFFFAOYSA-N 2 0 248.374 1.621 10 0 BDAERP CCC[C@@H](C)C[NH+]1CCN([C@H](CC)C[NH3+])CC1 ZINC000104052466 169357915 /nfs/dbraw/zinc/35/79/15/169357915.db2.gz KZSVWZUOHAUBCG-ZIAGYGMSSA-N 2 0 241.423 1.778 10 0 BDAERP CCC[C@@H](C)C[NH+]1CCN(C[C@H](C)C[NH3+])CC1 ZINC000051297753 169358007 /nfs/dbraw/zinc/35/80/07/169358007.db2.gz ZAGONGYSJKKFCE-ZIAGYGMSSA-N 2 0 241.423 1.635 10 0 BDAERP CCC[C@@H](C[NH3+])N1CC[NH+](CCC)CC1 ZINC000022218363 169384101 /nfs/dbraw/zinc/38/41/01/169384101.db2.gz XEFMHJXQINPFDO-LBPRGKRZSA-N 2 0 213.369 1.141 10 0 BDAERP CC[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000226745176 134370844 /nfs/dbraw/zinc/37/08/44/134370844.db2.gz AEKKJFUNZDMRPU-OLZOCXBDSA-N 2 0 228.380 1.733 10 0 BDAERP [NH3+]Cc1ccnc(OCC[NH+]2CCCC2)c1 ZINC000040240041 384131580 /nfs/dbraw/zinc/13/15/80/384131580.db2.gz CYMJKZHKFWVKOH-UHFFFAOYSA-N 2 0 221.304 1.015 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCC[NH3+] ZINC000092630137 384229690 /nfs/dbraw/zinc/22/96/90/384229690.db2.gz OQIVCHDLRAQTRU-LBPRGKRZSA-N 2 0 241.379 1.058 10 0 BDAERP CCc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000259031338 384959137 /nfs/dbraw/zinc/95/91/37/384959137.db2.gz ZSCCIMZZPNHMEP-CQSZACIVSA-N 2 0 218.344 1.948 10 0 BDAERP COc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1F ZINC000258751134 384940627 /nfs/dbraw/zinc/94/06/27/384940627.db2.gz LZKNZMFYZXTVKO-VIFPVBQESA-N 2 0 226.295 1.661 10 0 BDAERP COc1ccccc1C[NH2+]CC[C@H](C)[NH3+] ZINC000258754971 384941222 /nfs/dbraw/zinc/94/12/22/384941222.db2.gz MLABLPGKCFBKGI-JTQLQIEISA-N 2 0 208.305 1.522 10 0 BDAERP C([C@H]1CCCC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000169726668 385419150 /nfs/dbraw/zinc/41/91/50/385419150.db2.gz NDQFXYGSIYHDPC-CHWSQXEVSA-N 2 0 208.349 1.860 10 0 BDAERP C[C@H]([C@@H]1CC[NH2+]C1)[NH+]1CCSCC1 ZINC000306760388 385713398 /nfs/dbraw/zinc/71/33/98/385713398.db2.gz AFTJMFIOVCYJIS-NXEZZACHSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)CC(F)F ZINC000647800428 385806407 /nfs/dbraw/zinc/80/64/07/385806407.db2.gz AZGLJTXIZDRXQO-GUBZILKMSA-N 2 0 220.307 1.865 10 0 BDAERP CC[C@](C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000123577972 385892537 /nfs/dbraw/zinc/89/25/37/385892537.db2.gz RAEMAXNPRABASF-AWEZNQCLSA-N 2 0 240.391 1.708 10 0 BDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336666661 386294091 /nfs/dbraw/zinc/29/40/91/386294091.db2.gz LJSRWBHDGWSQKC-NEPJUHHUSA-N 2 0 228.380 1.277 10 0 BDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000647971254 386509910 /nfs/dbraw/zinc/50/99/10/386509910.db2.gz ZZPQGPAXYNTFFL-RDBSUJKOSA-N 2 0 240.391 1.421 10 0 BDAERP CCOc1ccccc1[C@H]([NH3+])CCC[NH3+] ZINC000575438892 387120008 /nfs/dbraw/zinc/12/00/08/387120008.db2.gz FILWJJXTSCZGEI-LLVKDONJSA-N 2 0 208.305 1.824 10 0 BDAERP CC(=O)Oc1cccc([C@@H]([NH3+])CCC[NH3+])c1 ZINC000575438836 387120171 /nfs/dbraw/zinc/12/01/71/387120171.db2.gz NCFQMRXLGCDLRT-LBPRGKRZSA-N 2 0 222.288 1.351 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1cccc(F)c1F ZINC000575439521 387123994 /nfs/dbraw/zinc/12/39/94/387123994.db2.gz DANAAWDSXDYBDT-VIFPVBQESA-N 2 0 200.232 1.704 10 0 BDAERP Cc1cc([C@H]([NH3+])CCC[NH3+])cc(C)c1O ZINC000575439465 387124481 /nfs/dbraw/zinc/12/44/81/387124481.db2.gz MUSJIAKDDPEESN-LLVKDONJSA-N 2 0 208.305 1.748 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591219 387156215 /nfs/dbraw/zinc/15/62/15/387156215.db2.gz UJRHMRDPKHDCKR-YNEHKIRRSA-N 2 0 225.380 1.058 10 0 BDAERP C[C@@H]1C[C@@H](C2CC[NH2+]CC2)C[C@H](O)[N@@H+]1C ZINC000536950647 387162443 /nfs/dbraw/zinc/16/24/43/387162443.db2.gz QNJMGHVWOFZSOG-JLLWLGSASA-N 2 0 212.337 1.035 10 0 BDAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1CSC1 ZINC000575487125 387257285 /nfs/dbraw/zinc/25/72/85/387257285.db2.gz KZISQSMGLYVLNU-WPRPVWTQSA-N 2 0 200.351 1.161 10 0 BDAERP CO[C@H](C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643464090 387355706 /nfs/dbraw/zinc/35/57/06/387355706.db2.gz SOWILKAIHXIRLU-WOPDTQHZSA-N 2 0 214.353 1.389 10 0 BDAERP C/C(=C/Cl)CN1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000575507465 387374662 /nfs/dbraw/zinc/37/46/62/387374662.db2.gz WJWQHBJCNRSDNV-ZLQFYDKZSA-N 2 0 202.729 1.798 10 0 BDAERP C[C@@H]1C[C@@]2(C[C@H]([NH3+])CO2)C[N@@H+]1Cc1ccccc1 ZINC000575506881 387374990 /nfs/dbraw/zinc/37/49/90/387374990.db2.gz COKDIFDYDMUQNW-VHDGCEQUSA-N 2 0 246.354 1.767 10 0 BDAERP CSCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400446243 387344751 /nfs/dbraw/zinc/34/47/51/387344751.db2.gz POZRCNJARQLBKX-NXEZZACHSA-N 2 0 202.367 1.327 10 0 BDAERP [NH3+][C@@H]1CO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575509077 387392635 /nfs/dbraw/zinc/39/26/35/387392635.db2.gz RFZLCEGVIAEDEG-UONOGXRCSA-N 2 0 232.327 1.379 10 0 BDAERP CS[C@@H]1CC[C@@H]1N1CCC[NH2+]CC1 ZINC000575548364 387645160 /nfs/dbraw/zinc/64/51/60/387645160.db2.gz CXJVEWXICQFEPO-VHSXEESVSA-N 2 0 200.351 1.176 10 0 BDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCF)CC1 ZINC000128522532 387750949 /nfs/dbraw/zinc/75/09/49/387750949.db2.gz MHMIYYZRKYKYQM-LBPRGKRZSA-N 2 0 246.370 1.371 10 0 BDAERP CC(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422971214 387821568 /nfs/dbraw/zinc/82/15/68/387821568.db2.gz IHZCOHPNKKBVED-HNGCFSAESA-N 2 0 226.364 1.266 10 0 BDAERP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)O1 ZINC000193606323 387858135 /nfs/dbraw/zinc/85/81/35/387858135.db2.gz BGXOKFMKDHJIEB-FVCCEPFGSA-N 2 0 224.348 1.047 10 0 BDAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423099693 387886646 /nfs/dbraw/zinc/88/66/46/387886646.db2.gz MIBKDEJGBPMXLT-ITGHMWBKSA-N 2 0 240.391 1.778 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423099536 387886649 /nfs/dbraw/zinc/88/66/49/387886649.db2.gz FKDGBNWPHVWNOA-IXMYILBSSA-N 2 0 226.389 1.753 10 0 BDAERP C[C@@H]1CC(C[NH2+][C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000423099739 387887319 /nfs/dbraw/zinc/88/73/19/387887319.db2.gz MJUWCPNVUQCREF-YRGRVCCFSA-N 2 0 240.391 1.922 10 0 BDAERP CC1CC[NH+](CCCN[C@H]2CC[NH2+]C2)CC1 ZINC000086725487 388107558 /nfs/dbraw/zinc/10/75/58/388107558.db2.gz ATMAYZLSQNHBKV-ZDUSSCGKSA-N 2 0 225.380 1.060 10 0 BDAERP [NH3+]C[C@@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000041166467 388431605 /nfs/dbraw/zinc/43/16/05/388431605.db2.gz VPBAVFTYCRPABQ-CQSZACIVSA-N 2 0 234.343 1.451 10 0 BDAERP CO[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C(C)C ZINC000362976660 388563179 /nfs/dbraw/zinc/56/31/79/388563179.db2.gz LERHOPVIAWVKNY-NEPJUHHUSA-N 2 0 214.353 1.389 10 0 BDAERP C[C@H]1C[N@H+](CC2CSC2)CC[C@@H]1[NH3+] ZINC000575488498 388880846 /nfs/dbraw/zinc/88/08/46/388880846.db2.gz SMDQROCNKRCAIN-WPRPVWTQSA-N 2 0 200.351 1.019 10 0 BDAERP C(C[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172394975 533359976 /nfs/dbraw/zinc/35/99/76/533359976.db2.gz JIVMBVGQSXBTRW-CQSZACIVSA-N 2 0 237.391 1.252 10 0 BDAERP C[C@@H]([NH2+]CC1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000400328158 533370233 /nfs/dbraw/zinc/37/02/33/533370233.db2.gz CAXMVENLKQNRKP-PWSUYJOCSA-N 2 0 228.405 1.717 10 0 BDAERP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400591918 533394554 /nfs/dbraw/zinc/39/45/54/533394554.db2.gz UOOYVGNVOUEOQJ-OLZOCXBDSA-N 2 0 225.380 1.060 10 0 BDAERP C[C@@H](NCC[NH+]1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000400332305 533395571 /nfs/dbraw/zinc/39/55/71/533395571.db2.gz GFTVYJAQLKTSMP-KGLIPLIRSA-N 2 0 239.407 1.450 10 0 BDAERP CSC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400345121 533510639 /nfs/dbraw/zinc/51/06/39/533510639.db2.gz IERKTNLRDVTPKM-WDEREUQCSA-N 2 0 228.405 1.860 10 0 BDAERP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000274402534 132202851 /nfs/dbraw/zinc/20/28/51/132202851.db2.gz YCBYBKLOUDAXIU-CHWSQXEVSA-N 2 0 249.358 1.281 10 0 BDAERP CC(C)[NH+]1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000036170427 132340309 /nfs/dbraw/zinc/34/03/09/132340309.db2.gz VAEXMARLNFKQGA-UHFFFAOYSA-N 2 0 234.347 1.071 10 0 BDAERP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000178260142 134305771 /nfs/dbraw/zinc/30/57/71/134305771.db2.gz HJKDOBVFLPAEQC-MWLCHTKSSA-N 2 0 233.315 1.254 10 0 BDAERP C(C1CC[NH+](C2CCC2)CC1)[NH+]1CCOCC1 ZINC000178982002 134314302 /nfs/dbraw/zinc/31/43/02/134314302.db2.gz ZJACJDCOWLVCQO-UHFFFAOYSA-N 2 0 238.375 1.583 10 0 BDAERP COC[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000251271590 135068087 /nfs/dbraw/zinc/06/80/87/135068087.db2.gz BXTGYDZMDGHJEQ-TUAOUCFPSA-N 2 0 214.353 1.374 10 0 BDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCO ZINC000086500700 135087424 /nfs/dbraw/zinc/08/74/24/135087424.db2.gz QBIBFCGVAPHWCB-NEPJUHHUSA-N 2 0 214.353 1.269 10 0 BDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000261533892 135165737 /nfs/dbraw/zinc/16/57/37/135165737.db2.gz KXGUGNAMWNAZEA-DJLDLDEBSA-N 2 0 240.269 1.017 10 0 BDAERP Cc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])cc[nH+]1 ZINC000261535441 135169666 /nfs/dbraw/zinc/16/96/66/135169666.db2.gz YWUPBUSNKZFVEC-GWCFXTLKSA-N 2 0 219.332 1.954 10 0 BDAERP CC1(C)C[N@H+](CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261997993 135270447 /nfs/dbraw/zinc/27/04/47/135270447.db2.gz SZZWDMBPLYOOSB-NEPJUHHUSA-N 2 0 226.364 1.472 10 0 BDAERP CC1(C)C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261997998 135270528 /nfs/dbraw/zinc/27/05/28/135270528.db2.gz SZZWDMBPLYOOSB-VXGBXAGGSA-N 2 0 226.364 1.472 10 0 BDAERP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262153478 135282374 /nfs/dbraw/zinc/28/23/74/135282374.db2.gz RODOOHVIFCIFTH-CABCVRRESA-N 2 0 248.370 1.480 10 0 BDAERP CC(C)C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263315533 135345851 /nfs/dbraw/zinc/34/58/51/135345851.db2.gz ZKGRMLJQJPBJRM-GNRIBBGQSA-N 2 0 240.391 1.371 10 0 BDAERP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)C[NH3+] ZINC000307296912 398062764 /nfs/dbraw/zinc/06/27/64/398062764.db2.gz RKKOMYCZVYTMOE-VHSXEESVSA-N 2 0 245.367 1.084 10 0 BDAERP CC(C)[NH2+]CCOc1cccc(C[NH3+])c1 ZINC000041217937 167109523 /nfs/dbraw/zinc/10/95/23/167109523.db2.gz VZILAPFMGAASAY-UHFFFAOYSA-N 2 0 208.305 1.522 10 0 BDAERP Cc1c[nH+]ccc1NCCC1(C[NH3+])CC1 ZINC000395908604 410865017 /nfs/dbraw/zinc/86/50/17/410865017.db2.gz ORQVMIOOTKMYDI-UHFFFAOYSA-N 2 0 205.305 1.353 10 0 BDAERP C[C@H]([NH2+][C@H]1CCCN[C@H]1C)C1CC[NH+](C)CC1 ZINC000396444681 410884069 /nfs/dbraw/zinc/88/40/69/410884069.db2.gz CMDXBIRJHVGXHJ-OBJOEFQTSA-N 2 0 239.407 1.447 10 0 BDAERP CC(C)C[NH2+]CCCC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000104132403 167002703 /nfs/dbraw/zinc/00/27/03/167002703.db2.gz WZXNHWZXDWPDQU-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP CC(C)C[NH2+]CCCOCCC[NH+](C)C ZINC000052672328 167003916 /nfs/dbraw/zinc/00/39/16/167003916.db2.gz ORHISXQADZKCTF-UHFFFAOYSA-N 2 0 216.369 1.590 10 0 BDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CC2)O1 ZINC000052445581 167007064 /nfs/dbraw/zinc/00/70/64/167007064.db2.gz VEUPOYYPVVJXHX-UONOGXRCSA-N 2 0 240.391 1.874 10 0 BDAERP CC(C)C[NH2+]Cc1csc(CC[NH+](C)C)n1 ZINC000082688175 167010561 /nfs/dbraw/zinc/01/05/61/167010561.db2.gz QXATWNXOKPZFLS-UHFFFAOYSA-N 2 0 241.404 1.993 10 0 BDAERP CC(C)[N@@H+]1CCc2nc(CC[NH3+])sc2C1 ZINC000019431926 167028950 /nfs/dbraw/zinc/02/89/50/167028950.db2.gz DWRVGRIFYYDWPY-UHFFFAOYSA-N 2 0 225.361 1.411 10 0 BDAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2NCC[NH3+] ZINC000042377619 167031524 /nfs/dbraw/zinc/03/15/24/167031524.db2.gz KGECTSOBDNYSAV-FUNVUKJBSA-N 2 0 225.380 1.044 10 0 BDAERP CC(C)[NH2+]CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388774 167103049 /nfs/dbraw/zinc/10/30/49/167103049.db2.gz PHOOQAUTBJMOLW-UHFFFAOYSA-N 3 0 241.423 1.648 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000309648513 167106280 /nfs/dbraw/zinc/10/62/80/167106280.db2.gz WVQZCECUSKYITG-OLZOCXBDSA-N 2 0 225.380 1.010 10 0 BDAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000104136166 167109659 /nfs/dbraw/zinc/10/96/59/167109659.db2.gz KMGSZQTVRSSHGM-KBPBESRZSA-N 2 0 241.423 1.645 10 0 BDAERP CN(C)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000104176037 410926379 /nfs/dbraw/zinc/92/63/79/410926379.db2.gz ODATVBVTOOOZEO-CQSZACIVSA-N 2 0 239.407 1.402 10 0 BDAERP Cc1cc(NC[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000107198562 411132755 /nfs/dbraw/zinc/13/27/55/411132755.db2.gz LXZNCNJAQOWWQB-GFCCVEGCSA-N 2 0 205.305 1.944 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401011005 411171175 /nfs/dbraw/zinc/17/11/75/411171175.db2.gz GWDROADIYATVAA-HZSPNIEDSA-N 2 0 248.374 1.169 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401011009 411171180 /nfs/dbraw/zinc/17/11/80/411171180.db2.gz GWDROADIYATVAA-MGPQQGTHSA-N 2 0 248.374 1.169 10 0 BDAERP C[C@H](Cc1ccccn1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000656193368 411200467 /nfs/dbraw/zinc/20/04/67/411200467.db2.gz IFMFKPZUFVINOQ-UPJWGTAASA-N 2 0 233.359 1.600 10 0 BDAERP COCC1(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000656199910 411205108 /nfs/dbraw/zinc/20/51/08/411205108.db2.gz GJGLZJHTIXKAOR-WDEREUQCSA-N 2 0 212.337 1.001 10 0 BDAERP CC[C@H]1CN(c2cc[nH+]cc2C)CC[C@@H]1[NH3+] ZINC000123043098 411437876 /nfs/dbraw/zinc/43/78/76/411437876.db2.gz JLTYSIHRJWOUMI-RYUDHWBXSA-N 2 0 219.332 1.954 10 0 BDAERP CC[C@@H]1CN(c2cc[nH+]cc2C)CC[C@@H]1[NH3+] ZINC000123042879 411437959 /nfs/dbraw/zinc/43/79/59/411437959.db2.gz JLTYSIHRJWOUMI-NEPJUHHUSA-N 2 0 219.332 1.954 10 0 BDAERP CC[N@@H+]1CC[C@@H](CNC[C@@H]2CCCC[NH+]2C)C1 ZINC000054242792 170007421 /nfs/dbraw/zinc/00/74/21/170007421.db2.gz QGPZNOPVTUSCOG-KBPBESRZSA-N 2 0 239.407 1.402 10 0 BDAERP CC[N@@H+]1CC[C@@H](CNCCC[NH+]2CCCC2)C1 ZINC000049332492 170007443 /nfs/dbraw/zinc/00/74/43/170007443.db2.gz BJAVVBUKYVHFPZ-AWEZNQCLSA-N 2 0 239.407 1.404 10 0 BDAERP CC[N@@H+]1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172163 170015935 /nfs/dbraw/zinc/01/59/35/170015935.db2.gz NLVKNCWMLUWKHA-CYBMUJFWSA-N 2 0 226.364 1.344 10 0 BDAERP CC[N@@H+]1CCc2nc(C[C@@H](C)[NH3+])sc2C1 ZINC000054160995 170025478 /nfs/dbraw/zinc/02/54/78/170025478.db2.gz WCFWYBGBXFAEEI-MRVPVSSYSA-N 2 0 225.361 1.411 10 0 BDAERP CCN1Cc2ccccc2C[C@H]1C[NH2+]C ZINC000051860012 170040444 /nfs/dbraw/zinc/04/04/44/170040444.db2.gz QGPLLSQSRNJMAP-ZDUSSCGKSA-N 2 0 204.317 1.653 10 0 BDAERP CCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000037034915 170093119 /nfs/dbraw/zinc/09/31/19/170093119.db2.gz TZAMYGBVOOCOHA-NSHDSACASA-N 2 0 249.358 1.102 10 0 BDAERP CC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000041045889 170108667 /nfs/dbraw/zinc/10/86/67/170108667.db2.gz BIWGNXSBDMBSBR-NSHDSACASA-N 2 0 212.337 1.097 10 0 BDAERP CC[NH2+]CC(C)(C)C[N@@H+]1CCCC[C@@H]1CCO ZINC000051213535 170110575 /nfs/dbraw/zinc/11/05/75/170110575.db2.gz SHZIGSWMCGMBJL-CYBMUJFWSA-N 2 0 242.407 1.859 10 0 BDAERP CC[NH2+]CCC(=O)NCCCC[N@H+](C)C(C)C ZINC000061299291 170111823 /nfs/dbraw/zinc/11/18/23/170111823.db2.gz FHCPOGACVCHJNI-UHFFFAOYSA-N 2 0 243.395 1.223 10 0 BDAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(C(C)C)CC1 ZINC000052480089 170112632 /nfs/dbraw/zinc/11/26/32/170112632.db2.gz FTPLMZURQHVLGU-CQSZACIVSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@@](C)(CC)C[NH+]1CCC(CO)CC1 ZINC000051206052 170121343 /nfs/dbraw/zinc/12/13/43/170121343.db2.gz ATJXMHCXPMPSKB-CQSZACIVSA-N 2 0 242.407 1.717 10 0 BDAERP CC[NH2+]C[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000053031033 170122909 /nfs/dbraw/zinc/12/29/09/170122909.db2.gz PHLABUXXOSTNRY-GFCCVEGCSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+]Cc1cnc(CC[NH+](CC)CC)nc1 ZINC000054855713 170130331 /nfs/dbraw/zinc/13/03/31/170130331.db2.gz BVYYQFMCLDIYJQ-UHFFFAOYSA-N 2 0 236.363 1.470 10 0 BDAERP CC[NH2+][C@@H](C)CCC[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053244795 170138640 /nfs/dbraw/zinc/13/86/40/170138640.db2.gz SLMJXFHENIEKKD-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+][C@@H]1CCN([C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000049714267 170151708 /nfs/dbraw/zinc/15/17/08/170151708.db2.gz VIGCYXRUABZUNF-BFHYXJOUSA-N 2 0 241.423 1.789 10 0 BDAERP CC[NH2+][C@H]1CCN(C[C@@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC000049712914 170167539 /nfs/dbraw/zinc/16/75/39/170167539.db2.gz UMHZFZFGZRTFDO-MJBXVCDLSA-N 2 0 239.407 1.258 10 0 BDAERP c1ccc2c(c1)ccnc2NC[C@@H]1C[NH2+]CCO1 ZINC000132071300 411754926 /nfs/dbraw/zinc/75/49/26/411754926.db2.gz FJBITCHXSUJWSA-LBPRGKRZSA-N 2 0 243.310 1.635 10 0 BDAERP CC[C@@H]1CCN(CCC[NH+](C)C)C[C@H](C)C[NH2+]1 ZINC000049666097 171011042 /nfs/dbraw/zinc/01/10/42/171011042.db2.gz VDRNZYFSBVFREV-ZIAGYGMSSA-N 2 0 241.423 1.648 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)[C@H]1CCC[NH2+]C1 ZINC000665265031 412209357 /nfs/dbraw/zinc/20/93/57/412209357.db2.gz OANJAPWRFZWQRV-ZOBORPQBSA-N 2 0 240.391 1.922 10 0 BDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000310326570 487624251 /nfs/dbraw/zinc/62/42/51/487624251.db2.gz ARPKKOXWZYXYDQ-JSGCOSHPSA-N 2 0 242.407 1.856 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCCC1 ZINC000310326572 487624331 /nfs/dbraw/zinc/62/43/31/487624331.db2.gz ARPKKOXWZYXYDQ-TZMCWYRMSA-N 2 0 242.407 1.856 10 0 BDAERP C[NH+](C)[C@H]1CCN(Cc2ccccc2C(N)=[NH2+])C1 ZINC000062965931 172540508 /nfs/dbraw/zinc/54/05/08/172540508.db2.gz VZFOTBONBQYGGG-LBPRGKRZSA-N 2 0 246.358 1.107 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052206401 173005829 /nfs/dbraw/zinc/00/58/29/173005829.db2.gz FQKRCIDGSRBXIP-MCIONIFRSA-N 2 0 240.391 1.754 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CCN1CCC([NH3+])CC1 ZINC000036754161 173008651 /nfs/dbraw/zinc/00/86/51/173008651.db2.gz FXZGEFJPQHRMBF-ZDUSSCGKSA-N 2 0 225.380 1.284 10 0 BDAERP C[NH+]1CCN(C[C@@H]([NH3+])c2cccc(F)c2)CC1 ZINC000019270014 173085309 /nfs/dbraw/zinc/08/53/09/173085309.db2.gz PDWWYOGIXUIPLE-CYBMUJFWSA-N 2 0 237.322 1.073 10 0 BDAERP C[NH+]1CCN([C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000023069998 173093572 /nfs/dbraw/zinc/09/35/72/173093572.db2.gz IUYIXXSHWXFJDF-CHWSQXEVSA-N 2 0 225.380 1.284 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815697 173115647 /nfs/dbraw/zinc/11/56/47/173115647.db2.gz LBFUYAIJPIACGG-AWEZNQCLSA-N 2 0 248.370 1.997 10 0 BDAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000037484656 173147701 /nfs/dbraw/zinc/14/77/01/173147701.db2.gz XMHYPQQLDKYWSH-SNVBAGLBSA-N 2 0 210.346 1.789 10 0 BDAERP C[N@@H+]1CC[C@](C[NH3+])(Nc2ccccc2)C1 ZINC000082643360 173162362 /nfs/dbraw/zinc/16/23/62/173162362.db2.gz XLBBVWPHPLGKOU-GFCCVEGCSA-N 2 0 205.305 1.132 10 0 BDAERP C[N@@H+]1CC[C@](CC[NH3+])(c2cccs2)C1 ZINC000077304292 173162719 /nfs/dbraw/zinc/16/27/19/173162719.db2.gz KGXIPFVKVNZOKH-NSHDSACASA-N 2 0 210.346 1.670 10 0 BDAERP C[NH2+]C1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000044562903 173323232 /nfs/dbraw/zinc/32/32/32/173323232.db2.gz UFURHYQJALCFLY-CYBMUJFWSA-N 2 0 225.380 1.155 10 0 BDAERP C[NH2+]C1CCN([C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000049568539 173323891 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ZINC000044564204 176325266 /nfs/dbraw/zinc/32/52/66/176325266.db2.gz HSSPRCBDGMSDRF-OLZOCXBDSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](Cc2ccccn2)C1 ZINC000049666531 176329230 /nfs/dbraw/zinc/32/92/30/176329230.db2.gz LZJNWOQCBFJLMA-CHWSQXEVSA-N 2 0 233.359 1.759 10 0 BDAERP C[C@@H]1C[C@@H](C)C[NH+](CC2(O)CC[NH2+]CC2)C1 ZINC000051015872 176360674 /nfs/dbraw/zinc/36/06/74/176360674.db2.gz LISVJODUYHATMV-VXGBXAGGSA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H](c1cnn(C)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000084494224 177052692 /nfs/dbraw/zinc/05/26/92/177052692.db2.gz DLAIFLXDJGYWGE-GHMZBOCLSA-N 2 0 222.336 1.152 10 0 BDAERP C[C@H]1CCC[C@H](C)[NH+]1CCN1CCC[NH2+]CC1 ZINC000061274953 177131563 /nfs/dbraw/zinc/13/15/63/177131563.db2.gz RYJVIGKGNIJNGW-KBPBESRZSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@H]1CC[NH+](CC2CCOCC2)CC[C@H](C)[NH2+]1 ZINC000104188318 177158668 /nfs/dbraw/zinc/15/86/68/177158668.db2.gz ZJDFWVWKCVIXBB-STQMWFEESA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982860 177162581 /nfs/dbraw/zinc/16/25/81/177162581.db2.gz IIMXKKUVFQYJSK-RDBSUJKOSA-N 2 0 240.391 1.733 10 0 BDAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccco1 ZINC000049713510 177365050 /nfs/dbraw/zinc/36/50/50/177365050.db2.gz XWEXJWSWUAWTBN-WDEREUQCSA-N 2 0 208.305 1.634 10 0 BDAERP CSC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CCC1 ZINC000400345115 225029487 /nfs/dbraw/zinc/02/94/87/225029487.db2.gz IERKTNLRDVTPKM-GHMZBOCLSA-N 2 0 228.405 1.860 10 0 BDAERP COCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400327150 226340693 /nfs/dbraw/zinc/34/06/93/226340693.db2.gz CPCQSWYBBHNVIY-QWHCGFSZSA-N 2 0 248.370 1.921 10 0 BDAERP Cc1cccc(OCC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400435506 226343548 /nfs/dbraw/zinc/34/35/48/226343548.db2.gz LCRMZRAZUNWVKM-ZIAGYGMSSA-N 2 0 248.370 1.961 10 0 BDAERP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400721341 226350611 /nfs/dbraw/zinc/35/06/11/226350611.db2.gz ONTQVTPYOSYLJR-GRYCIOLGSA-N 2 0 214.353 1.245 10 0 BDAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400737246 226350913 /nfs/dbraw/zinc/35/09/13/226350913.db2.gz RYSGSXKJARBVCJ-GZMMTYOYSA-N 2 0 239.388 1.848 10 0 BDAERP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000306966888 229399480 /nfs/dbraw/zinc/39/94/80/229399480.db2.gz MCRFFJDVKQIGQN-YTWAJWBKSA-N 2 0 214.378 1.326 10 0 BDAERP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000400508148 533686677 /nfs/dbraw/zinc/68/66/77/533686677.db2.gz KQZOVANXOCEOPP-CMPLNLGQSA-N 2 0 235.331 1.178 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000086403168 487720352 /nfs/dbraw/zinc/72/03/52/487720352.db2.gz HKYDZCQMQKBYBU-KXNHARMFSA-N 2 0 212.337 1.149 10 0 BDAERP Cc1c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cnn1C ZINC000385241461 487776619 /nfs/dbraw/zinc/77/66/19/487776619.db2.gz LYOLSGLRGPBCAX-KBPBESRZSA-N 2 0 248.374 1.289 10 0 BDAERP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400810476 533698421 /nfs/dbraw/zinc/69/84/21/533698421.db2.gz YALXXJKOLFGHAR-YPMHNXCESA-N 2 0 234.343 1.783 10 0 BDAERP CCC(O)(CC)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571312876 323140997 /nfs/dbraw/zinc/14/09/97/323140997.db2.gz IUXBFVPQJPMTHM-RYUDHWBXSA-N 2 0 228.380 1.515 10 0 BDAERP CCOCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566791112 326082760 /nfs/dbraw/zinc/08/27/60/326082760.db2.gz RORFQAVBASANGD-NWDGAFQWSA-N 2 0 214.353 1.391 10 0 BDAERP C[C@H]([NH2+]CC1CC(O)C1)C1CC[NH+](C)CC1 ZINC000084446749 488052413 /nfs/dbraw/zinc/05/24/13/488052413.db2.gz XGMWSHRDHLPRTR-ZBOXLXRLSA-N 2 0 226.364 1.077 10 0 BDAERP C[NH+](C)C1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000310537508 488099188 /nfs/dbraw/zinc/09/91/88/488099188.db2.gz RQZRZHNJUTUTCX-JSGCOSHPSA-N 2 0 240.391 1.564 10 0 BDAERP Cc1nc(CN(C)[C@H]2CCC[NH2+]CC2)co1 ZINC000310247302 488147707 /nfs/dbraw/zinc/14/77/07/488147707.db2.gz JPPSTJHQACYRHR-LBPRGKRZSA-N 2 0 223.320 1.557 10 0 BDAERP c1ccc2c(c1)C[C@H]2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090978323 491130301 /nfs/dbraw/zinc/13/03/01/491130301.db2.gz GUXLWIUWISZRMI-MELADBBJSA-N 2 0 228.339 1.478 10 0 BDAERP C[C@H]([NH2+]CCOC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400515081 533858981 /nfs/dbraw/zinc/85/89/81/533858981.db2.gz KGTBDKLFZVKRSR-NWDGAFQWSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400527156 533869769 /nfs/dbraw/zinc/86/97/69/533869769.db2.gz QLXFIUWIJYFEHI-WCQYABFASA-N 2 0 236.334 1.956 10 0 BDAERP C[NH2+]C[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000040602175 536466254 /nfs/dbraw/zinc/46/62/54/536466254.db2.gz NJJJSYJXDWMQJD-LLVKDONJSA-N 2 0 205.305 1.517 10 0 BDAERP CCC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400709308 528126678 /nfs/dbraw/zinc/12/66/78/528126678.db2.gz LVTCVQNOFFDDCP-JHJVBQTASA-N 2 0 228.380 1.373 10 0 BDAERP CC[NH+](CC)C[C@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400420608 528179917 /nfs/dbraw/zinc/17/99/17/528179917.db2.gz WRUHHIZPLPEUML-AVGNSLFASA-N 2 0 227.396 1.304 10 0 BDAERP CCC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400427497 528484626 /nfs/dbraw/zinc/48/46/26/528484626.db2.gz ZCENNFSACSIILK-WOPDTQHZSA-N 2 0 214.353 1.125 10 0 BDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400353309 528501739 /nfs/dbraw/zinc/50/17/39/528501739.db2.gz LCFDAWWGMOUGBL-MELADBBJSA-N 2 0 241.423 1.550 10 0 BDAERP CCC(CC)(CO)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400747443 528707207 /nfs/dbraw/zinc/70/72/07/528707207.db2.gz UTUGANCAHLESMO-VXGBXAGGSA-N 2 0 228.380 1.373 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400430822 529091643 /nfs/dbraw/zinc/09/16/43/529091643.db2.gz BPZNZRNUOZRXKZ-AGIUHOORSA-N 2 0 225.380 1.058 10 0 BDAERP CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000250755847 535187240 /nfs/dbraw/zinc/18/72/40/535187240.db2.gz FLHHNUFXGIIPSE-HZSPNIEDSA-N 2 0 240.391 1.875 10 0 BDAERP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCC[C@H]1O ZINC000252921701 536346910 /nfs/dbraw/zinc/34/69/10/536346910.db2.gz HMJUIGKJIBSYIM-UONOGXRCSA-N 2 0 240.391 1.708 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757149926 582533685 /nfs/dbraw/zinc/53/36/85/582533685.db2.gz WWHBZQLCPNNTBI-NSHDSACASA-N 2 0 210.321 1.197 10 0 BDAERP C[C@H]1O[C@@]2(CCC[N@H+](C)CC2)[NH2+]CC1(C)C ZINC000757150343 582534672 /nfs/dbraw/zinc/53/46/72/582534672.db2.gz QTIOVCLAZWQVNF-DGCLKSJQSA-N 2 0 226.364 1.833 10 0 BDAERP CC(C)[NH+]1CCN([C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396718805 583089190 /nfs/dbraw/zinc/08/91/90/583089190.db2.gz PMGJPXKZHHFJKA-CHWSQXEVSA-N 2 0 225.380 1.153 10 0 BDAERP C[C@@H]1CN2C(=[NH+]1)N=CC=C2[C@H]1CCC[NH2+]C1 ZINC000235422139 583209516 /nfs/dbraw/zinc/20/95/16/583209516.db2.gz WMHSDAPIAFKQMB-ZJUUUORDSA-N 2 0 218.304 1.014 10 0 BDAERP CC(C)C1CCC2(CC1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757141567 586427739 /nfs/dbraw/zinc/42/77/39/586427739.db2.gz AGQPIDHXGQIVTM-UHFFFAOYSA-N 2 0 238.375 1.881 10 0 BDAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC[C@@H](C)O2 ZINC000757145715 586428044 /nfs/dbraw/zinc/42/80/44/586428044.db2.gz QGLKLZSUGCRFHI-GFCCVEGCSA-N 2 0 226.364 1.833 10 0 BDAERP C[NH+]1CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757147350 586429018 /nfs/dbraw/zinc/42/90/18/586429018.db2.gz SADSCFKSXFOKPS-MNOVXSKESA-N 2 0 210.321 1.197 10 0 BDAERP C[C@H]1C[NH2+]CC[C@@H]1c1ccc(C[NH3+])cc1 ZINC000757209354 586438313 /nfs/dbraw/zinc/43/83/13/586438313.db2.gz DTOFEVSJIPNLEM-GWCFXTLKSA-N 2 0 204.317 1.858 10 0 BDAERP [NH3+]CC[C@H]1CC[C@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757210778 586438767 /nfs/dbraw/zinc/43/87/67/586438767.db2.gz GZGLQCCLHBVLBN-MWLCHTKSSA-N 2 0 238.356 1.950 10 0 BDAERP [NH3+]CC[C@H]1CC[C@@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757210772 586438962 /nfs/dbraw/zinc/43/89/62/586438962.db2.gz GZGLQCCLHBVLBN-KOLCDFICSA-N 2 0 238.356 1.950 10 0 BDAERP c1cc2c(c([C@@H]3CCC[NH2+]C3)c1)C[NH2+]CC2 ZINC000757215318 586440829 /nfs/dbraw/zinc/44/08/29/586440829.db2.gz NQZGHIYPKUDSQA-GFCCVEGCSA-N 2 0 216.328 1.799 10 0 BDAERP CC(=O)c1ccc([C@H]2C[C@@H]([NH3+])CC[NH2+]2)cc1 ZINC000757218773 586441682 /nfs/dbraw/zinc/44/16/82/586441682.db2.gz WZZXVZBOSZUXTB-QWHCGFSZSA-N 2 0 218.300 1.641 10 0 BDAERP CCn1cc([C@@H]2[NH2+][C@H](C)CC[C@@H]2C[NH3+])cn1 ZINC000757231191 586443294 /nfs/dbraw/zinc/44/32/94/586443294.db2.gz GYQHKSYBUQKVNM-CKYFFXLPSA-N 2 0 222.336 1.291 10 0 BDAERP CCn1cc([C@@H]2[NH2+][C@H](C)CC[C@H]2C[NH3+])cn1 ZINC000757231218 586443403 /nfs/dbraw/zinc/44/34/03/586443403.db2.gz GYQHKSYBUQKVNM-JFGNBEQYSA-N 2 0 222.336 1.291 10 0 BDAERP [NH3+]Cc1cc([C@@H]2C[C@H]([NH3+])CC[NH2+]2)ccc1C1CC1 ZINC000757237118 586443530 /nfs/dbraw/zinc/44/35/30/586443530.db2.gz PKVBPCRFNDVSOY-HIFRSBDPSA-N 3 0 245.370 1.775 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000757237360 586443571 /nfs/dbraw/zinc/44/35/71/586443571.db2.gz PXMBKHZECYVMFV-QWRGUYRKSA-N 2 0 219.332 1.229 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1[NH2+][C@@H](C)CC[C@@H]1C[NH3+] ZINC000757238529 586444435 /nfs/dbraw/zinc/44/44/35/586444435.db2.gz SNBNPHHBLVWCQI-MISXGVKJSA-N 2 0 233.359 1.965 10 0 BDAERP [NH3+]Cc1cccc(-c2ccc(C[NH3+])nn2)c1 ZINC000757571023 586462734 /nfs/dbraw/zinc/46/27/34/586462734.db2.gz HWGVCSQXEMEQKB-UHFFFAOYSA-N 2 0 214.272 1.061 10 0 BDAERP C[C@@H](O)C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000309490050 633929636 /nfs/dbraw/zinc/92/96/36/633929636.db2.gz ZNQGTOKRZSGBLF-GFCCVEGCSA-N 2 0 228.380 1.598 10 0 BDAERP CC[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000322409907 636863078 /nfs/dbraw/zinc/86/30/78/636863078.db2.gz YNCAJBMOCHARLB-FUDCBSFHSA-N 2 0 237.391 1.295 10 0 BDAERP CC[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000322409908 636863462 /nfs/dbraw/zinc/86/34/62/636863462.db2.gz YNCAJBMOCHARLB-RLAWYHOSSA-N 2 0 237.391 1.295 10 0 BDAERP C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000164657283 640494435 /nfs/dbraw/zinc/49/44/35/640494435.db2.gz NJTQQHIHIUDOBZ-WOPDTQHZSA-N 2 0 212.337 1.082 10 0 BDAERP FC(F)(F)SCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000231938047 641216985 /nfs/dbraw/zinc/21/69/85/641216985.db2.gz QHDMWRWSMJVRMS-MRVPVSSYSA-N 2 0 242.310 1.971 10 0 BDAERP C([C@@H]1CCCO1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199676 642311645 /nfs/dbraw/zinc/31/16/45/642311645.db2.gz AORMNVSPYMSFLU-UONOGXRCSA-N 2 0 238.375 1.629 10 0 BDAERP C[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000253236129 642633333 /nfs/dbraw/zinc/63/33/33/642633333.db2.gz NJTQQHIHIUDOBZ-GRYCIOLGSA-N 2 0 212.337 1.082 10 0 BDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCCO1 ZINC000252682456 643091693 /nfs/dbraw/zinc/09/16/93/643091693.db2.gz CBDSYINWUZJDLA-VXGBXAGGSA-N 2 0 214.353 1.471 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757142441 643303993 /nfs/dbraw/zinc/30/39/93/643303993.db2.gz LFQZTSFZOQCFPT-KOLCDFICSA-N 2 0 234.290 1.442 10 0 BDAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000082645566 643363092 /nfs/dbraw/zinc/36/30/92/643363092.db2.gz VRYJPWNQEQQBLN-TUAOUCFPSA-N 2 0 212.337 1.225 10 0 BDAERP [NH3+]CCCCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000086933029 644472752 /nfs/dbraw/zinc/47/27/52/644472752.db2.gz SWSDTDKUQYLDSX-ZDUSSCGKSA-N 2 0 225.380 1.286 10 0 BDAERP COCC1CC([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000713954099 712474769 /nfs/dbraw/zinc/47/47/69/712474769.db2.gz VGQSBSYJTKJFPZ-WTIISPKJSA-N 2 0 226.364 1.532 10 0 BDAERP CCC1([NH3+])CCN([C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000714752941 712497030 /nfs/dbraw/zinc/49/70/30/712497030.db2.gz FUOFCJYZTJIJRZ-OLZOCXBDSA-N 2 0 239.407 1.672 10 0 BDAERP CC[C@@H](COC)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714754345 712497760 /nfs/dbraw/zinc/49/77/60/712497760.db2.gz RVYPQJHPNSCROB-NSHDSACASA-N 2 0 214.353 1.615 10 0 BDAERP Cc1cc(N[C@@H]2C[NH2+]CC2(C)C)cc[nH+]1 ZINC000721901599 710688969 /nfs/dbraw/zinc/68/89/69/710688969.db2.gz WKWVMGQFCJCRMB-LLVKDONJSA-N 2 0 205.305 1.222 10 0 BDAERP C[C@@H]1CC(C[NH2+][C@@H]2CCCN[C@H]2C)C[C@@H](C)O1 ZINC000724303891 710738309 /nfs/dbraw/zinc/73/83/09/710738309.db2.gz OSBXQUZKIXUQLA-NRWUCQMLSA-N 2 0 240.391 1.920 10 0 BDAERP Cc1cc[nH+]c(NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000723814250 711537637 /nfs/dbraw/zinc/53/76/37/711537637.db2.gz VYDKEXDXRGIZLW-MNOVXSKESA-N 2 0 205.305 1.657 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000723956709 711547342 /nfs/dbraw/zinc/54/73/42/711547342.db2.gz RCSFBQXVICATTK-RFGFWPKPSA-N 2 0 240.391 1.779 10 0 BDAERP COC[C@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000721966225 711845583 /nfs/dbraw/zinc/84/55/83/711845583.db2.gz TVEGCTRRNHMGDE-UONOGXRCSA-N 2 0 242.407 1.979 10 0 BDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000708341873 712189033 /nfs/dbraw/zinc/18/90/33/712189033.db2.gz WQFCQIBGJGPOQZ-CYDGBPFRSA-N 2 0 238.375 1.471 10 0 BDAERP Cc1ccc(OCC[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000708839342 712200531 /nfs/dbraw/zinc/20/05/31/712200531.db2.gz CWDHGJGCJISVIS-KBPBESRZSA-N 2 0 248.370 1.900 10 0 BDAERP CO[C@@H]1C[N@H+](CCCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000708977101 712205081 /nfs/dbraw/zinc/20/50/81/712205081.db2.gz KEUBOKWTSOPINN-QWHCGFSZSA-N 2 0 226.364 1.615 10 0 BDAERP CO[C@H]1C[N@H+](CCCC2CC2)[C@](C)(C[NH3+])C1 ZINC000708977098 712205314 /nfs/dbraw/zinc/20/53/14/712205314.db2.gz KEUBOKWTSOPINN-OLZOCXBDSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@@H]([NH2+]CCc1ccns1)[C@@H]1CCC[NH2+]C1 ZINC000709985270 712237303 /nfs/dbraw/zinc/23/73/03/712237303.db2.gz SEZSAKXTZIXFHC-GHMZBOCLSA-N 2 0 239.388 1.663 10 0 BDAERP c1cc(CC[NH2+][C@H]2CCC[NH2+]CC2)sn1 ZINC000710024864 712241598 /nfs/dbraw/zinc/24/15/98/712241598.db2.gz BWXUMRCTWWGDDP-JTQLQIEISA-N 2 0 225.361 1.417 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@H]1CC[NH2+]C1 ZINC000711248900 712291022 /nfs/dbraw/zinc/29/10/22/712291022.db2.gz JNWSUMCVKZNQGJ-RWMBFGLXSA-N 2 0 240.391 1.779 10 0 BDAERP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)OC1 ZINC000711390895 712297186 /nfs/dbraw/zinc/29/71/86/712297186.db2.gz PGSBJAPKXVVFAR-OLZOCXBDSA-N 2 0 240.391 1.923 10 0 BDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000714439345 712488869 /nfs/dbraw/zinc/48/88/69/712488869.db2.gz QGGGLRQDDPSKNS-ZDUSSCGKSA-N 2 0 240.391 1.862 10 0 BDAERP CO[C@H]1C[C@H](C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000714639957 712494653 /nfs/dbraw/zinc/49/46/53/712494653.db2.gz JXSCNSVDUKJACO-CYDGBPFRSA-N 2 0 226.364 1.389 10 0 BDAERP C([NH2+][C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716047537 712548342 /nfs/dbraw/zinc/54/83/42/712548342.db2.gz WFDVCOSNAGEOKR-RDFFEMEHSA-N 2 0 226.389 1.612 10 0 BDAERP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000300403822 712670654 /nfs/dbraw/zinc/67/06/54/712670654.db2.gz HONDMONUBNEFPM-LBPRGKRZSA-N 2 0 238.379 1.527 10 0 BDAERP C1=CO[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000380028102 712683298 /nfs/dbraw/zinc/68/32/98/712683298.db2.gz WRIOGXZMHXXOTF-NWDGAFQWSA-N 2 0 210.321 1.411 10 0 BDAERP CC(=O)[C@@H]1CCC[N@H+](CCn2ccnc2C)C1 ZINC000111689860 712688528 /nfs/dbraw/zinc/68/85/28/712688528.db2.gz FDFGDSRMBIYDDI-CYBMUJFWSA-N 2 0 235.331 1.493 10 0 BDAERP Cc1c[nH+]ccc1NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721070887 712889309 /nfs/dbraw/zinc/88/93/09/712889309.db2.gz DKXNOCVDXVRHKS-ZYHUDNBSSA-N 2 0 219.332 1.469 10 0 BDAERP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955097 538899772 /nfs/dbraw/zinc/89/97/72/538899772.db2.gz SVAUVUOTFVCPRE-XQHKEYJVSA-N 2 0 226.364 1.756 10 0 BDAERP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062114025 349438391 /nfs/dbraw/zinc/43/83/91/349438391.db2.gz OPWRQNHKXZLNNN-GFCCVEGCSA-N 2 0 247.342 1.296 10 0 BDAERP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCOC1 ZINC000335034387 136214824 /nfs/dbraw/zinc/21/48/24/136214824.db2.gz QUPVPBHVJDPPHK-VXGBXAGGSA-N 2 0 212.337 1.145 10 0 BDAERP CCC(CC)[N@H+](CCOC)C[C@H]1C[NH2+]C[C@@H]1C ZINC000104216430 168373970 /nfs/dbraw/zinc/37/39/70/168373970.db2.gz GJYXXJMCRTWHSF-QWHCGFSZSA-N 2 0 242.407 1.979 10 0 BDAERP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381724255 398270170 /nfs/dbraw/zinc/27/01/70/398270170.db2.gz RYIHNJBEZGSRDP-UWVGGRQHSA-N 2 0 236.306 1.063 10 0 BDAERP C[C@H](C[NH2+]CCC[NH2+]CCO)c1ccccc1 ZINC000013732734 342870978 /nfs/dbraw/zinc/87/09/78/342870978.db2.gz DHISMQLBQIMJLV-CYBMUJFWSA-N 2 0 236.359 1.352 10 0 BDAERP CC[C@H](CSC)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400560177 529415661 /nfs/dbraw/zinc/41/56/61/529415661.db2.gz LCHOTQOPZJQUMP-GARJFASQSA-N 2 0 216.394 1.716 10 0 BDAERP CCCC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262117604 534927407 /nfs/dbraw/zinc/92/74/07/534927407.db2.gz LKJVEDCFAMJIJM-YIOUJQMASA-N 2 0 240.391 1.515 10 0 BDAERP C[C@H]([NH2+]CCc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000580312131 346893292 /nfs/dbraw/zinc/89/32/92/346893292.db2.gz PAOIPFJALVXHIZ-GXTWGEPZSA-N 2 0 233.359 1.602 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC3CCC3)C[C@@H]12 ZINC000398732786 488223701 /nfs/dbraw/zinc/22/37/01/488223701.db2.gz SXSIOKKNBZWESI-JHJVBQTASA-N 2 0 208.349 1.846 10 0 BDAERP CC(C)N1CC[C@@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712057616 537784293 /nfs/dbraw/zinc/78/42/93/537784293.db2.gz DGLMUHSHIYHHNV-CYBMUJFWSA-N 3 0 237.391 1.425 10 0 BDAERP COC[C@H](C)[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C ZINC000128393884 346987973 /nfs/dbraw/zinc/98/79/73/346987973.db2.gz XARJPOALGRMONI-DCAQKATOSA-N 2 0 200.326 1.094 10 0 BDAERP CCOC[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409433999 343831070 /nfs/dbraw/zinc/83/10/70/343831070.db2.gz ZMEWGMSQRYSZFW-NSHDSACASA-N 2 0 212.337 1.097 10 0 BDAERP CCC[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409436404 343839166 /nfs/dbraw/zinc/83/91/66/343839166.db2.gz ZPSDJSYCRWWVGS-WCQYABFASA-N 2 0 226.364 1.221 10 0 BDAERP O[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C[C@H]1CC1CC1 ZINC000409435753 343839927 /nfs/dbraw/zinc/83/99/27/343839927.db2.gz WJVHUMGURGNWTL-OCCSQVGLSA-N 2 0 238.375 1.221 10 0 BDAERP C[NH2+][C@@H]1CCC[C@@H]1NCc1ccccc1 ZINC000409442623 343858536 /nfs/dbraw/zinc/85/85/36/343858536.db2.gz YGVOCONEHPTSEX-OLZOCXBDSA-N 2 0 204.317 1.917 10 0 BDAERP CN(C)[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H](C[NH3+])C2)C1 ZINC000675053492 537866412 /nfs/dbraw/zinc/86/64/12/537866412.db2.gz LFBDSFCTAHHWMR-HZSPNIEDSA-N 2 0 239.407 1.530 10 0 BDAERP CS[C@H]1CCC[C@H]1[NH2+]C1CC([NH3+])C1 ZINC000235256643 344859602 /nfs/dbraw/zinc/85/96/02/344859602.db2.gz ZHAAROBWYUVSAF-BMNUFHGDSA-N 2 0 200.351 1.350 10 0 BDAERP CCCn1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634999074 345199590 /nfs/dbraw/zinc/19/95/90/345199590.db2.gz PQGBIPCBXFHUTA-AAEUAGOBSA-N 2 0 236.363 1.320 10 0 BDAERP CCC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000635006072 345210742 /nfs/dbraw/zinc/21/07/42/345210742.db2.gz XHXXUCILHQWPIQ-IJLUTSLNSA-N 2 0 214.353 1.125 10 0 BDAERP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000220078313 345745464 /nfs/dbraw/zinc/74/54/64/345745464.db2.gz YXBSWJBGSDRMEP-ZDUSSCGKSA-N 2 0 204.317 1.694 10 0 BDAERP C(COC[C@H]1[C@@H]2C[NH2+]C[C@H]12)C[NH+]1CCCCC1 ZINC000142677743 345863773 /nfs/dbraw/zinc/86/37/73/345863773.db2.gz WTWRFBPRQZYOHU-WDNDVIMCSA-N 2 0 238.375 1.344 10 0 BDAERP CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@]1(O)C[NH3+] ZINC000307700343 345903946 /nfs/dbraw/zinc/90/39/46/345903946.db2.gz LWSCMQGDXGIKOZ-GJZGRUSLSA-N 2 0 248.370 1.608 10 0 BDAERP CC1CC[NH+](CCn2cc[nH+]c2N)CC1 ZINC000723465768 537934989 /nfs/dbraw/zinc/93/49/89/537934989.db2.gz BMTSLNBFMZPHCL-UHFFFAOYSA-N 2 0 208.309 1.197 10 0 BDAERP C[C@@H](C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377871 537965577 /nfs/dbraw/zinc/96/55/77/537965577.db2.gz ZIQQSXSZORIRHV-DZGCQCFKSA-N 2 0 248.370 1.608 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CNC[C@H](C[NH3+])C1 ZINC000669378412 537965679 /nfs/dbraw/zinc/96/56/79/537965679.db2.gz DMZJLPXVXFRWJC-FRRDWIJNSA-N 2 0 225.380 1.045 10 0 BDAERP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000160582938 346457915 /nfs/dbraw/zinc/45/79/15/346457915.db2.gz PMEOMYDYBCTODR-LPEHRKFASA-N 2 0 200.351 1.161 10 0 BDAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N2CC[NH+](C)CC2)c1 ZINC000042965389 179203939 /nfs/dbraw/zinc/20/39/39/179203939.db2.gz XNQBBJGPRCTYSQ-HIFRSBDPSA-N 2 0 247.386 1.631 10 0 BDAERP COCCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000571431591 323144632 /nfs/dbraw/zinc/14/46/32/323144632.db2.gz VLNWMJXXRDZCJP-CHWSQXEVSA-N 2 0 240.391 1.781 10 0 BDAERP Cc1ccccc1CN(C)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990392 179268568 /nfs/dbraw/zinc/26/85/68/179268568.db2.gz NKZKQZFWAITTGP-HNNXBMFYSA-N 2 0 247.386 1.460 10 0 BDAERP CSCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000591567836 347670947 /nfs/dbraw/zinc/67/09/47/347670947.db2.gz VWWHJLHAHHMCDG-NXEZZACHSA-N 2 0 202.367 1.327 10 0 BDAERP C[C@@H]1C[C@H](C)[NH2+][C@H](CN2CC[NH2+]C[C@@H]2C)C1 ZINC000669381759 537996495 /nfs/dbraw/zinc/99/64/95/537996495.db2.gz UJYWZNMSAPNRBO-VOAKCMCISA-N 2 0 225.380 1.057 10 0 BDAERP Cc1ccccc1[C@H]([NH3+])CCN1CC[NH+](C)CC1 ZINC000054015699 179344016 /nfs/dbraw/zinc/34/40/16/179344016.db2.gz RHNYXMKCVCFUHK-OAHLLOKOSA-N 2 0 247.386 1.632 10 0 BDAERP C[C@@H]1C[NH2+][C@@]2(CC[N@H+](C)[C@H](C)C2)S1 ZINC000251692084 362899425 /nfs/dbraw/zinc/89/94/25/362899425.db2.gz AWIVFFDPRLPXNA-BBBLOLIVSA-N 2 0 200.351 1.522 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251736594 362902149 /nfs/dbraw/zinc/90/21/49/362902149.db2.gz KPEOYBKZSKYBFZ-KXUCPTDWSA-N 2 0 200.351 1.161 10 0 BDAERP C[N@H+](CC1([NH3+])CCCC1)[C@H]1CCSC1 ZINC000037479617 348617653 /nfs/dbraw/zinc/61/76/53/348617653.db2.gz DLLCTIYKCYSFBZ-JTQLQIEISA-N 2 0 214.378 1.695 10 0 BDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000300846948 362929865 /nfs/dbraw/zinc/92/98/65/362929865.db2.gz NDLRDGOZXYOSFA-NXEZZACHSA-N 2 0 214.378 1.470 10 0 BDAERP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccc(F)cc2)C1 ZINC000006780164 350088076 /nfs/dbraw/zinc/08/80/76/350088076.db2.gz MNZRUJJUKNTAGB-WCQYABFASA-N 2 0 222.307 1.647 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068371 191054000 /nfs/dbraw/zinc/05/40/00/191054000.db2.gz QDAHSDNKNJEDRI-MNOVXSKESA-N 2 0 207.321 1.665 10 0 BDAERP CCN1CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000336654074 350597686 /nfs/dbraw/zinc/59/76/86/350597686.db2.gz JYAZMTBJFHXYCZ-CHWSQXEVSA-N 2 0 227.396 1.578 10 0 BDAERP CC(C)(C)[N@@H+]1CCOCC[C@@H]1CC[NH3+] ZINC000616597586 350652428 /nfs/dbraw/zinc/65/24/28/350652428.db2.gz CIXXLJLSHFWOLT-JTQLQIEISA-N 2 0 200.326 1.225 10 0 BDAERP C[C@H]1CCSCC[N@@H+]1C1CC([NH3+])C1 ZINC000306754707 350967072 /nfs/dbraw/zinc/96/70/72/350967072.db2.gz MWVVQIKDTDIVPR-IDKOKCKLSA-N 2 0 200.351 1.304 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cccc(F)c1Br ZINC000306869991 351259612 /nfs/dbraw/zinc/25/96/12/351259612.db2.gz UQUCHIXLFVMCRJ-QMMMGPOBSA-N 2 0 247.111 1.937 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C[C@H]2C)CCS1 ZINC000307030337 351431639 /nfs/dbraw/zinc/43/16/39/351431639.db2.gz DNLWGMRFGHDXHV-GMTAPVOTSA-N 2 0 214.378 1.422 10 0 BDAERP [NH3+]C[C@H]1CC[C@@H]1N1CCC=C(Cl)C1 ZINC000404388042 351416755 /nfs/dbraw/zinc/41/67/55/351416755.db2.gz GJYYOFOKNGWNDZ-SCZZXKLOSA-N 2 0 200.713 1.552 10 0 BDAERP C[C@@H]1CS[C@@]2(CC[N@H+](C)C[C@@H]2C)[NH2+]1 ZINC000307249784 351756083 /nfs/dbraw/zinc/75/60/83/351756083.db2.gz OWWGSVCZEPSJHL-IVZWLZJFSA-N 2 0 200.351 1.379 10 0 BDAERP CC[NH2+][C@@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000638071003 351943608 /nfs/dbraw/zinc/94/36/08/351943608.db2.gz DBWUHZDXXVOUDE-RYUDHWBXSA-N 2 0 243.395 1.077 10 0 BDAERP C[NH2+]CC[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000725270306 538102469 /nfs/dbraw/zinc/10/24/69/538102469.db2.gz FUAQASUEJXLNQT-QMMMGPOBSA-N 2 0 232.249 1.583 10 0 BDAERP C[C@@H]1CSCC[N@@H+]([C@H]2CC[C@H]2C[NH3+])C1 ZINC000307461981 352611005 /nfs/dbraw/zinc/61/10/05/352611005.db2.gz GAATWQHDLFUULT-DCAQKATOSA-N 2 0 214.378 1.409 10 0 BDAERP C[C@H]1[C@@H](N2CC([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000307395352 352569617 /nfs/dbraw/zinc/56/96/17/352569617.db2.gz NOZBBXBXWBRWNJ-WFASDCNBSA-N 2 0 245.370 1.292 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CN1C ZINC000307485718 352620674 /nfs/dbraw/zinc/62/06/74/352620674.db2.gz BHFXLHOBJFAKQW-XGEHTFHBSA-N 2 0 204.264 1.322 10 0 BDAERP C[C@@H]1CC[N@@H+](C2CC([NH3+])C2)CCS1 ZINC000307498327 352626045 /nfs/dbraw/zinc/62/60/45/352626045.db2.gz KEQKDBVEALGPLZ-XNWIYYODSA-N 2 0 200.351 1.304 10 0 BDAERP CS[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000307508428 352627852 /nfs/dbraw/zinc/62/78/52/352627852.db2.gz NJCRPUNLTSXDCE-IVZWLZJFSA-N 2 0 200.351 1.304 10 0 BDAERP Cc1cnccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398372077 363228447 /nfs/dbraw/zinc/22/84/47/363228447.db2.gz DDLSAHOUYRSZIK-LLVKDONJSA-N 2 0 205.305 1.089 10 0 BDAERP Cc1cc(NC[C@@H]2CCCC[NH2+]2)c(C#N)cn1 ZINC000399031292 353715880 /nfs/dbraw/zinc/71/58/80/353715880.db2.gz JPHJEFGDMCGUHX-LBPRGKRZSA-N 2 0 230.315 1.238 10 0 BDAERP CN(Cc1ccno1)[C@@H]1CCC[NH2+]CC1 ZINC000231669443 363347911 /nfs/dbraw/zinc/34/79/11/363347911.db2.gz XYWUTZLNSFEORP-SNVBAGLBSA-N 2 0 209.293 1.249 10 0 BDAERP C[C@@H]1SCC[C@@H]1[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405807926 355301946 /nfs/dbraw/zinc/30/19/46/355301946.db2.gz RVKCXGVBJNHHGN-LPEHRKFASA-N 2 0 200.351 1.304 10 0 BDAERP NC(=[NH2+])CCC[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000062980680 181186946 /nfs/dbraw/zinc/18/69/46/181186946.db2.gz ZHAPZQSYTFYSIL-LBPRGKRZSA-N 2 0 238.379 1.263 10 0 BDAERP CC(C)[NH+]1CCC2(CCC[C@H](C[NH3+])O2)CC1 ZINC000675072224 538502644 /nfs/dbraw/zinc/50/26/44/538502644.db2.gz AWVUOIUIVBZBSN-GFCCVEGCSA-N 2 0 226.364 1.757 10 0 BDAERP CC(C)[N@H+](C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080492 538519323 /nfs/dbraw/zinc/51/93/23/538519323.db2.gz RVBNTZBVYFGHSR-MNOVXSKESA-N 2 0 212.337 1.223 10 0 BDAERP C/C(=C/Cl)C[N@H+]1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000399656172 356999334 /nfs/dbraw/zinc/99/93/34/356999334.db2.gz ODEYMLPCUMYNLE-SMXPLPSPSA-N 2 0 200.713 1.408 10 0 BDAERP COCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000656200474 538784172 /nfs/dbraw/zinc/78/41/72/538784172.db2.gz NBIABZXUMDCAJO-NWDGAFQWSA-N 2 0 226.364 1.391 10 0 BDAERP Cc1c[nH+]ccc1N1CCO[C@H](C[NH+](C)C)C1 ZINC000192573569 357844475 /nfs/dbraw/zinc/84/44/75/357844475.db2.gz RHCIEXGUKMSNJA-GFCCVEGCSA-N 2 0 235.331 1.157 10 0 BDAERP CCC1([NH+](C)C)CC[NH+](CC(C)(C)O)CC1 ZINC000640017574 358080551 /nfs/dbraw/zinc/08/05/51/358080551.db2.gz OHFGDSWXKPWPJI-UHFFFAOYSA-N 2 0 228.380 1.564 10 0 BDAERP c1cn(-c2cncc(-n3ccnc3)c2)cn1 ZINC000584660825 358311973 /nfs/dbraw/zinc/31/19/73/358311973.db2.gz FBPFYCGCNHLTGV-UHFFFAOYSA-N 2 0 211.228 1.453 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000560943272 491130804 /nfs/dbraw/zinc/13/08/04/491130804.db2.gz JANAIXYJPGLAMA-GARJFASQSA-N 2 0 214.378 1.470 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CCS[C@@H]2C)C[C@H]1[NH3+] ZINC000300352072 358971743 /nfs/dbraw/zinc/97/17/43/358971743.db2.gz HMAZSQDLLWSMTC-ZYUZMQFOSA-N 2 0 200.351 1.159 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CSC[C@H]2C)C[C@H]1[NH3+] ZINC000306191977 359019606 /nfs/dbraw/zinc/01/96/06/359019606.db2.gz PUGSWBZRHQSBHM-ZYUZMQFOSA-N 2 0 200.351 1.017 10 0 BDAERP Cc1[nH+]ccc(NC2(C[NH3+])CC2)c1Cl ZINC000306331888 359632986 /nfs/dbraw/zinc/63/29/86/359632986.db2.gz CVZUTMCIDOYEJD-UHFFFAOYSA-N 2 0 211.696 1.947 10 0 BDAERP O[C@]1([C@H]2C=CC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306344238 359662973 /nfs/dbraw/zinc/66/29/73/359662973.db2.gz CKWIOFQLDHMHFO-HUUCEWRRSA-N 2 0 244.338 1.151 10 0 BDAERP O[C@@]1([C@H]2C=CC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306344234 359663180 /nfs/dbraw/zinc/66/31/80/359663180.db2.gz CKWIOFQLDHMHFO-CABCVRRESA-N 2 0 244.338 1.151 10 0 BDAERP CNC(=[NH2+])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000306390173 359747174 /nfs/dbraw/zinc/74/71/74/359747174.db2.gz UWWSLFOXLSAKIM-UHFFFAOYSA-N 2 0 246.358 1.348 10 0 BDAERP [NH3+][C@@H]1CC[C@@H](CC[NH+]2CCSCC2)C1 ZINC000306433510 359940330 /nfs/dbraw/zinc/94/03/30/359940330.db2.gz XASPMUQOSXNVNZ-WDEREUQCSA-N 2 0 214.378 1.553 10 0 BDAERP CC(C)([NH3+])CN1CCS[C@@H]2CCC[C@H]21 ZINC000306554414 360427805 /nfs/dbraw/zinc/42/78/05/360427805.db2.gz BTNOIGCKTSZLBZ-NXEZZACHSA-N 2 0 214.378 1.694 10 0 BDAERP CC[C@](C)([C@H](C)[NH3+])[N@@H+]1CCSC[C@@H]1C ZINC000306602762 360529175 /nfs/dbraw/zinc/52/91/75/360529175.db2.gz WJHPXLCMENZPCW-GARJFASQSA-N 2 0 216.394 1.940 10 0 BDAERP CCC[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)OCC ZINC000629515055 361112533 /nfs/dbraw/zinc/11/25/33/361112533.db2.gz PZZBKGYBMCVHCU-RWMBFGLXSA-N 2 0 228.380 1.779 10 0 BDAERP CCC[C@H](C(=O)NCC[NH2+]C(C)(C)C)[NH+](C)C ZINC000162911441 361186587 /nfs/dbraw/zinc/18/65/87/361186587.db2.gz KOWOCLCICRTTSI-LLVKDONJSA-N 2 0 243.395 1.221 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000622043919 370675254 /nfs/dbraw/zinc/67/52/54/370675254.db2.gz POITXPGZUXGCTG-AEJSXWLSSA-N 2 0 218.291 1.619 10 0 BDAERP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000622044062 370675768 /nfs/dbraw/zinc/67/57/68/370675768.db2.gz SZXRTCIOKAMTFO-VHSXEESVSA-N 2 0 218.291 1.763 10 0 BDAERP [NH3+]C1(C[NH2+]C[C@@H]2CCCCO2)CCCC1 ZINC000042825595 181331893 /nfs/dbraw/zinc/33/18/93/181331893.db2.gz HMCWIOKCRIHWNY-NSHDSACASA-N 2 0 212.337 1.417 10 0 BDAERP [NH3+]C1(C[NH2+]C[C@H]2CCCO2)CCCCC1 ZINC000040410416 181332682 /nfs/dbraw/zinc/33/26/82/181332682.db2.gz AXVVBNJQPZQYBH-LLVKDONJSA-N 2 0 212.337 1.417 10 0 BDAERP C[NH2+]CCOCC[N@H+](C)CC1CCC(C)CC1 ZINC000629652762 361551473 /nfs/dbraw/zinc/55/14/73/361551473.db2.gz DURXUPJQTVSJTE-UHFFFAOYSA-N 2 0 242.407 1.981 10 0 BDAERP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629653026 361551844 /nfs/dbraw/zinc/55/18/44/361551844.db2.gz FQNOOLWJCDRZHV-UPJWGTAASA-N 2 0 240.416 1.956 10 0 BDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379735532 361574072 /nfs/dbraw/zinc/57/40/72/361574072.db2.gz JAVFMMGVTICWII-RYUDHWBXSA-N 2 0 210.321 1.050 10 0 BDAERP NC1=[NH+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2S1 ZINC000077098370 181339612 /nfs/dbraw/zinc/33/96/12/181339612.db2.gz ZDQQMIMTDGBXBH-NWDGAFQWSA-N 2 0 247.367 1.691 10 0 BDAERP [NH3+]C1CCC([NH+]2CCSCC2)CC1 ZINC000055144277 181341023 /nfs/dbraw/zinc/34/10/23/181341023.db2.gz ROYKKQHCWSNFGF-UHFFFAOYSA-N 2 0 200.351 1.305 10 0 BDAERP [NH3+]C1CCC([NH2+]Cc2ccnc(Cl)n2)CC1 ZINC000095072138 181341494 /nfs/dbraw/zinc/34/14/94/181341494.db2.gz SSPBJOOBDAZPHR-UHFFFAOYSA-N 2 0 240.738 1.490 10 0 BDAERP CCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630354783 364077854 /nfs/dbraw/zinc/07/78/54/364077854.db2.gz AYCMXHCWESRCDL-WDEREUQCSA-N 2 0 200.326 1.225 10 0 BDAERP CO[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630370336 364087083 /nfs/dbraw/zinc/08/70/83/364087083.db2.gz ZGPPRPCOVIKDLK-NOOOWODRSA-N 2 0 212.337 1.081 10 0 BDAERP CO[C@@H]1C[N@H+](CCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630369880 364087929 /nfs/dbraw/zinc/08/79/29/364087929.db2.gz XGHBHAXXZSOAJS-STQMWFEESA-N 2 0 226.364 1.615 10 0 BDAERP [NH3+]CC(C[NH3+])c1ccc(Cl)cc1Cl ZINC000039375620 181357820 /nfs/dbraw/zinc/35/78/20/181357820.db2.gz LWVJPQBZFMOHMX-UHFFFAOYSA-N 2 0 219.115 1.994 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCC[C@H](O)C2)CCCCC1 ZINC000051257057 181359161 /nfs/dbraw/zinc/35/91/61/181359161.db2.gz DRKDDOSNLIKJFE-LBPRGKRZSA-N 2 0 226.364 1.352 10 0 BDAERP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]cc1C ZINC000630526298 364213620 /nfs/dbraw/zinc/21/36/20/364213620.db2.gz RVFWMXZLFPHRHM-CMPLNLGQSA-N 2 0 205.305 1.364 10 0 BDAERP [NH3+]CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000034493264 181361873 /nfs/dbraw/zinc/36/18/73/181361873.db2.gz DFLLQKIVAMDWQA-YIONKMFJSA-N 2 0 246.354 1.503 10 0 BDAERP C[C@@H]1CN([C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000383348031 367615605 /nfs/dbraw/zinc/61/56/05/367615605.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 2 0 239.407 1.386 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)[C@@H]1C ZINC000386015761 367897728 /nfs/dbraw/zinc/89/77/28/367897728.db2.gz VALUPAQEISWILU-MQYQWHSLSA-N 2 0 240.391 1.467 10 0 BDAERP CC[NH+](CC)CCOC(=O)C1CC[NH+](C)CC1 ZINC000003599657 368874768 /nfs/dbraw/zinc/87/47/68/368874768.db2.gz GHAWCAUSPWTQNX-UHFFFAOYSA-N 2 0 242.363 1.213 10 0 BDAERP COc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000631836488 369078362 /nfs/dbraw/zinc/07/83/62/369078362.db2.gz ACHFLRCQCBYAOG-JQWIXIFHSA-N 2 0 235.331 1.117 10 0 BDAERP COCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000568974419 326384271 /nfs/dbraw/zinc/38/42/71/326384271.db2.gz QOPUXISGBUCZHX-OLZOCXBDSA-N 2 0 240.391 1.781 10 0 BDAERP [NH3+][C@@H]1CCC[C@H](C[NH+]2CCSCC2)C1 ZINC000070503080 181583905 /nfs/dbraw/zinc/58/39/05/181583905.db2.gz WWLWTMVMCKIWHH-WDEREUQCSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@@H]1C[N@H+](C[Si](C)(C)C)CC[C@H]1[NH3+] ZINC000401638611 371795691 /nfs/dbraw/zinc/79/56/91/371795691.db2.gz GODILJJHBWUOJY-NXEZZACHSA-N 2 0 200.402 1.533 10 0 BDAERP CC1(C)C[N@@H+](C2CC([NH3+])C2)CCS1 ZINC000133445336 372052255 /nfs/dbraw/zinc/05/22/55/372052255.db2.gz RPNRJSIGBTZILG-UHFFFAOYSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@@H]1CSC(NCC[NH+](C)C)=[NH+][C@H]1C ZINC000229744046 372189616 /nfs/dbraw/zinc/18/96/16/372189616.db2.gz UTGKACGJXAGKST-BDAKNGLRSA-N 2 0 215.366 1.265 10 0 BDAERP Cc1cncc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631837127 372626561 /nfs/dbraw/zinc/62/65/61/372626561.db2.gz NCBNXNJQVQHGSW-YPMHNXCESA-N 2 0 219.332 1.417 10 0 BDAERP CC(C)[C@@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151268341 206063464 /nfs/dbraw/zinc/06/34/64/206063464.db2.gz FJKHTWHJHKEPAO-OLZOCXBDSA-N 2 0 228.380 1.467 10 0 BDAERP CCCC[C@@H]([NH3+])CN(C)C1CC[NH+](CC)CC1 ZINC000042689594 168969509 /nfs/dbraw/zinc/96/95/09/168969509.db2.gz NVEWWBICNBOWOC-CYBMUJFWSA-N 2 0 241.423 1.920 10 0 BDAERP OCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000132299443 183071273 /nfs/dbraw/zinc/07/12/73/183071273.db2.gz VEWIVVMRTWQIDC-OAHLLOKOSA-N 2 0 248.370 1.481 10 0 BDAERP O[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918192 183195457 /nfs/dbraw/zinc/19/54/57/183195457.db2.gz HPNCLUSDFDZWFN-XDQVBPFNSA-N 2 0 238.375 1.364 10 0 BDAERP CCCN(CCC)C1(C[NH3+])CC[NH+](C)CC1 ZINC000019514828 169145337 /nfs/dbraw/zinc/14/53/37/169145337.db2.gz RERAAAYAVNTCRZ-UHFFFAOYSA-N 2 0 227.396 1.532 10 0 BDAERP CCCN(CCC[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000071332331 169156343 /nfs/dbraw/zinc/15/63/43/169156343.db2.gz OIPIQASSQOFOLR-CQSZACIVSA-N 2 0 239.407 1.546 10 0 BDAERP CCC[N@H+](CCO)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C ZINC000053873848 169165142 /nfs/dbraw/zinc/16/51/42/169165142.db2.gz LQPNSSLFIRNCOX-RDBSUJKOSA-N 2 0 242.407 1.715 10 0 BDAERP CCCN([C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000071314990 169180805 /nfs/dbraw/zinc/18/08/05/169180805.db2.gz ZQWHQGUVLKDTEG-UONOGXRCSA-N 2 0 237.391 1.297 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000049714183 169186400 /nfs/dbraw/zinc/18/64/00/169186400.db2.gz PCCOZNZIRWIQDA-STQMWFEESA-N 2 0 239.407 1.672 10 0 BDAERP CCC[NH+]1CCN(C(CC)(CC)C[NH3+])CC1 ZINC000019485272 169202978 /nfs/dbraw/zinc/20/29/78/169202978.db2.gz RVYNFQKQMRAOJJ-UHFFFAOYSA-N 2 0 227.396 1.532 10 0 BDAERP CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C[C@@H]1C ZINC000073655931 169208386 /nfs/dbraw/zinc/20/83/86/169208386.db2.gz SQJDAGSKCKFRLK-STQMWFEESA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH2+]CCCCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC000062971817 169257051 /nfs/dbraw/zinc/25/70/51/169257051.db2.gz MNTIBLYGCFRFDG-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]CCNCC[NH+]1CCCCC1 ZINC000049474765 169259300 /nfs/dbraw/zinc/25/93/00/169259300.db2.gz NUGGEOUOYGUWQW-UHFFFAOYSA-N 2 0 213.369 1.062 10 0 BDAERP CCC[NH2+]CC[C@@H](C)N1CC[N@H+](C)[C@H](CC)C1 ZINC000104126323 169260057 /nfs/dbraw/zinc/26/00/57/169260057.db2.gz OCFZTPMOBIBVQD-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@H](C)CN1CC[NH+](C2CC2)CC1 ZINC000044472327 169286180 /nfs/dbraw/zinc/28/61/80/169286180.db2.gz HOEVRYRCNNEVID-GFCCVEGCSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH2+][C@H](C)[C@H](C)N1CC[N@H+](C)[C@H](CC)C1 ZINC000104142887 169286410 /nfs/dbraw/zinc/28/64/10/169286410.db2.gz FSBOHFJUKGUFGL-HZSPNIEDSA-N 2 0 241.423 1.789 10 0 BDAERP CCC[NH2+]C[C@]1(C[NH+]2CCCC2)CCCOC1 ZINC000104318681 169264558 /nfs/dbraw/zinc/26/45/58/169264558.db2.gz KPRXFGBWJVIGAW-AWEZNQCLSA-N 2 0 240.391 1.879 10 0 BDAERP c1ccc(CC[NH+]2CCC[NH2+]CCC2)cc1 ZINC000049664787 183391693 /nfs/dbraw/zinc/39/16/93/183391693.db2.gz YWCHNDWYWGSZES-UHFFFAOYSA-N 2 0 218.344 1.915 10 0 BDAERP CCC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000037267468 169282015 /nfs/dbraw/zinc/28/20/15/169282015.db2.gz PIBACXHJKNZUQJ-GFCCVEGCSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000037645099 169282050 /nfs/dbraw/zinc/28/20/50/169282050.db2.gz AJSRIUROGIGLSA-ZIAGYGMSSA-N 2 0 239.407 1.402 10 0 BDAERP CCCO[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000042425459 169312524 /nfs/dbraw/zinc/31/25/24/169312524.db2.gz DKCFCZVJKZGUME-AWEZNQCLSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[NH2+][C@H]1CCC[C@@H]1C[N@@H+]1CCCOCC1 ZINC000061934634 169291098 /nfs/dbraw/zinc/29/10/98/169291098.db2.gz XZLMBVVIEXCTFJ-KGLIPLIRSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[C@@H](C)N(C)[C@]1(C[NH3+])CC[N@@H+](C2CC2)C1 ZINC000061990292 169366536 /nfs/dbraw/zinc/36/65/36/169366536.db2.gz IGHJHUWTPDLZRG-OCCSQVGLSA-N 2 0 239.407 1.672 10 0 BDAERP COC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC1(C)C ZINC000409434785 383838770 /nfs/dbraw/zinc/83/87/70/383838770.db2.gz QOJFTTUACGZRKE-NSHDSACASA-N 2 0 226.364 1.343 10 0 BDAERP CC(C)(C)OC(=O)[C@H]([NH3+])C1CCC(C[NH3+])CC1 ZINC000067172255 383913161 /nfs/dbraw/zinc/91/31/61/383913161.db2.gz MZBQCNOLQJOBNJ-VQXHTEKXSA-N 2 0 242.363 1.421 10 0 BDAERP c1ccc(CNCC[NH2+]C2CCC2)cc1 ZINC000095081760 384357406 /nfs/dbraw/zinc/35/74/06/384357406.db2.gz SICGNIQRSIZMIN-UHFFFAOYSA-N 2 0 204.317 1.918 10 0 BDAERP CCC[C@@H]1C[C@@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000300389960 384361948 /nfs/dbraw/zinc/36/19/48/384361948.db2.gz SPCMCDZZLVUHGU-UTUOFQBUSA-N 2 0 214.353 1.519 10 0 BDAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])c1cccnc1 ZINC000011848787 384621590 /nfs/dbraw/zinc/62/15/90/384621590.db2.gz XBNULPZEUAQHDY-AWEZNQCLSA-N 2 0 244.342 1.493 10 0 BDAERP CSC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000564823507 384658058 /nfs/dbraw/zinc/65/80/58/384658058.db2.gz ABXQVZZDHRJJRT-GHMZBOCLSA-N 2 0 228.405 1.860 10 0 BDAERP Cc1cc(NCCCN2CC[NH2+]CC2)cc[nH+]1 ZINC000162861598 384700183 /nfs/dbraw/zinc/70/01/83/384700183.db2.gz ZRRGRQANSHBIHY-UHFFFAOYSA-N 2 0 234.347 1.097 10 0 BDAERP FC(F)OCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000398244982 384862933 /nfs/dbraw/zinc/86/29/33/384862933.db2.gz CRBHNNKJMMJGRA-SECBINFHSA-N 2 0 222.279 1.347 10 0 BDAERP CCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000258991579 384957208 /nfs/dbraw/zinc/95/72/08/384957208.db2.gz VYGCIENQMBGUAR-CYBMUJFWSA-N 2 0 234.343 1.784 10 0 BDAERP CC[NH+](CC)CCN1CCC[N@H+](CC)CC1 ZINC000119659226 384925836 /nfs/dbraw/zinc/92/58/36/384925836.db2.gz AKSJGMYCYJXHQW-UHFFFAOYSA-N 2 0 227.396 1.356 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000259402117 385424200 /nfs/dbraw/zinc/42/42/00/385424200.db2.gz OCQLEBLAYZMKHY-SECBINFHSA-N 2 0 229.121 1.798 10 0 BDAERP C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000309461281 385596781 /nfs/dbraw/zinc/59/67/81/385596781.db2.gz RUAXIAVACHTWDB-AGIUHOORSA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000647803748 385839285 /nfs/dbraw/zinc/83/92/85/385839285.db2.gz AMHLRWRHEPPBDX-IRCOFANPSA-N 2 0 228.405 1.858 10 0 BDAERP CC(C)COCCC[NH2+]C1CC[NH2+]CC1 ZINC000038040735 386119130 /nfs/dbraw/zinc/11/91/30/386119130.db2.gz PTDLWHCKVGETSP-UHFFFAOYSA-N 2 0 214.353 1.391 10 0 BDAERP Cc1cncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000310307151 386176528 /nfs/dbraw/zinc/17/65/28/386176528.db2.gz CXULSKYCEYRRKR-MJBXVCDLSA-N 2 0 231.343 1.559 10 0 BDAERP Cc1cccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000415108710 386586901 /nfs/dbraw/zinc/58/69/01/386586901.db2.gz QKMSJDSEFZQCIX-CYBMUJFWSA-N 2 0 233.359 1.522 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]([NH3+])C2)CS1 ZINC000306895522 386533495 /nfs/dbraw/zinc/53/34/95/386533495.db2.gz MYAKUJJMFBMGIW-RGOKHQFPSA-N 2 0 200.351 1.350 10 0 BDAERP C[C@@H]([NH2+]Cc1cccc(CO)c1)[C@@H]1CCC[NH2+]C1 ZINC000520564990 386693910 /nfs/dbraw/zinc/69/39/10/386693910.db2.gz XGJMBCHRASTUCS-IUODEOHRSA-N 2 0 248.370 1.657 10 0 BDAERP COC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)C(C)C ZINC000165983024 387045193 /nfs/dbraw/zinc/04/51/93/387045193.db2.gz GFOIEJFWQJSVJS-IHRRRGAJSA-N 2 0 242.407 1.976 10 0 BDAERP COc1cccc(F)c1[C@H]([NH3+])CCCC[NH3+] ZINC000575438157 387105103 /nfs/dbraw/zinc/10/51/03/387105103.db2.gz DJMZHLVOBGAEFP-SNVBAGLBSA-N 2 0 226.295 1.963 10 0 BDAERP COC(=O)c1cccc([C@H]([NH3+])CCC[NH3+])c1 ZINC000575439316 387122983 /nfs/dbraw/zinc/12/29/83/387122983.db2.gz RNKOTEWYVHKBEZ-LLVKDONJSA-N 2 0 222.288 1.212 10 0 BDAERP C[C@@H]1C[C@@H](C2CC[NH2+]CC2)C[C@@H](O)[N@@H+]1C ZINC000536950649 387162138 /nfs/dbraw/zinc/16/21/38/387162138.db2.gz QNJMGHVWOFZSOG-YUSALJHKSA-N 2 0 212.337 1.035 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000575440408 387133292 /nfs/dbraw/zinc/13/32/92/387133292.db2.gz TWNSLRKTHDMBGQ-VIFPVBQESA-N 2 0 214.696 1.784 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)CC[NH2+]1 ZINC000575513203 387385133 /nfs/dbraw/zinc/38/51/33/387385133.db2.gz BNEMMMBJEIODLS-OPRDCNLKSA-N 2 0 200.351 1.222 10 0 BDAERP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000643454658 387385678 /nfs/dbraw/zinc/38/56/78/387385678.db2.gz LDXCZWQCGPSSJG-AVGNSLFASA-N 2 0 237.391 1.201 10 0 BDAERP [NH3+][C@H]1CCC[C@@H]1C[N@@H+]1CCCSCC1 ZINC000053879804 387521428 /nfs/dbraw/zinc/52/14/28/387521428.db2.gz DRUFWMVZHWGVDP-MNOVXSKESA-N 2 0 214.378 1.553 10 0 BDAERP C[C@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCC[NH2+]C1 ZINC000643471298 387480310 /nfs/dbraw/zinc/48/03/10/387480310.db2.gz OXVCXKPISVAEKL-RJZJGCCBSA-N 2 0 240.391 1.515 10 0 BDAERP CC(C)CCOCC[NH2+]C1CC[NH2+]CC1 ZINC000045094347 387704729 /nfs/dbraw/zinc/70/47/29/387704729.db2.gz VCESKJUOHKSBCR-UHFFFAOYSA-N 2 0 214.353 1.391 10 0 BDAERP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000422839623 387729079 /nfs/dbraw/zinc/72/90/79/387729079.db2.gz QWVWDGJRQDMABL-MELADBBJSA-N 2 0 239.407 1.591 10 0 BDAERP c1ccc(CCC[NH2+][C@@H]2CCC[NH2+]CC2)nc1 ZINC000422996559 387802969 /nfs/dbraw/zinc/80/29/69/387802969.db2.gz MMSVQGBIKMEFRT-CQSZACIVSA-N 2 0 233.359 1.746 10 0 BDAERP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151254604 387809440 /nfs/dbraw/zinc/80/94/40/387809440.db2.gz OJXRBAYWFUHNMA-IHRRRGAJSA-N 2 0 242.407 1.857 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H](C[NH+]2CCSCC2)C1 ZINC000070503081 387840896 /nfs/dbraw/zinc/84/08/96/387840896.db2.gz WWLWTMVMCKIWHH-GHMZBOCLSA-N 2 0 214.378 1.553 10 0 BDAERP C[C@H]([NH2+]CCCOCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000643457828 387817412 /nfs/dbraw/zinc/81/74/12/387817412.db2.gz XIGDTEZCFZASLY-GXTWGEPZSA-N 2 0 240.391 1.781 10 0 BDAERP C[C@H]([NH2+]CC1(CO)CCC1)[C@H]1CCC[NH2+]C1 ZINC000643480621 387936562 /nfs/dbraw/zinc/93/65/62/387936562.db2.gz IBQXRAVOAAXYBA-RYUDHWBXSA-N 2 0 226.364 1.127 10 0 BDAERP Cc1cccnc1CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000404961078 388447797 /nfs/dbraw/zinc/44/77/97/388447797.db2.gz VJINBZNOCLJREW-STQMWFEESA-N 2 0 233.359 1.520 10 0 BDAERP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000335044255 388448499 /nfs/dbraw/zinc/44/84/99/388448499.db2.gz XWVIEFDYFGWSFZ-FZMZJTMJSA-N 2 0 230.355 1.741 10 0 BDAERP CCC[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)OCC 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Cc1cc(N2CCC(C[NH3+])CC2)cc[nH+]1 ZINC000107198595 132293359 /nfs/dbraw/zinc/29/33/59/132293359.db2.gz OSKBBSJWIMXBCV-UHFFFAOYSA-N 2 0 205.305 1.565 10 0 BDAERP CCC[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC000034823183 132337147 /nfs/dbraw/zinc/33/71/47/132337147.db2.gz ODEBAMKOHCLAIM-UHFFFAOYSA-N 2 0 247.386 1.938 10 0 BDAERP Cc1c[nH+]c2ccc(N3CC[NH2+]CC3)cn12 ZINC000036221662 132340972 /nfs/dbraw/zinc/34/09/72/132340972.db2.gz JZMQCYVWGQUXBC-UHFFFAOYSA-N 2 0 216.288 1.052 10 0 BDAERP [NH3+][C@H]1CC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000071560187 132394430 /nfs/dbraw/zinc/39/44/30/132394430.db2.gz MRJBUNZFLMZWFS-DZGCQCFKSA-N 2 0 245.370 1.688 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220878052 134316600 /nfs/dbraw/zinc/31/66/00/134316600.db2.gz MRARUHCXXPXOHV-UONOGXRCSA-N 2 0 239.407 1.401 10 0 BDAERP CC[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000226745157 134370907 /nfs/dbraw/zinc/37/09/07/134370907.db2.gz AEKKJFUNZDMRPU-CHWSQXEVSA-N 2 0 228.380 1.733 10 0 BDAERP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000131836560 134635185 /nfs/dbraw/zinc/63/51/85/134635185.db2.gz IWULKCRDUBLXHZ-NSHDSACASA-N 2 0 233.315 1.083 10 0 BDAERP Cc1cnn(CC[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261555279 135195292 /nfs/dbraw/zinc/19/52/92/135195292.db2.gz PSALJNNXRTZPFT-LBPRGKRZSA-N 2 0 236.363 1.251 10 0 BDAERP CCC1(C[NH2+]CC2([NH3+])CCC2)CCOCC1 ZINC000261584097 135225123 /nfs/dbraw/zinc/22/51/23/135225123.db2.gz PLFWOTAQFKFJGQ-UHFFFAOYSA-N 2 0 226.364 1.664 10 0 BDAERP CCC1(C[NH2+]C[C@H]2CCC[NH2+]2)CCOCC1 ZINC000261586693 135227463 /nfs/dbraw/zinc/22/74/63/135227463.db2.gz RITJPXQHRDTOOJ-GFCCVEGCSA-N 2 0 226.364 1.535 10 0 BDAERP CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000261590928 135231107 /nfs/dbraw/zinc/23/11/07/135231107.db2.gz UVZHJOORZWTQGQ-VXGBXAGGSA-N 2 0 226.364 1.615 10 0 BDAERP CCCC1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262117602 135279820 /nfs/dbraw/zinc/27/98/20/135279820.db2.gz LKJVEDCFAMJIJM-HHTDUIENSA-N 2 0 240.391 1.515 10 0 BDAERP CCC1(C)CCC([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262133928 135280172 /nfs/dbraw/zinc/28/01/72/135280172.db2.gz OJKYZMWDFBABTP-ZIHBUVQPSA-N 2 0 240.391 1.515 10 0 BDAERP [NH3+]CCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000262948745 135324971 /nfs/dbraw/zinc/32/49/71/135324971.db2.gz JIRFDMZEZFKWNY-QWRGUYRKSA-N 2 0 240.372 1.595 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC(C)(C)C1 ZINC000263312038 135345625 /nfs/dbraw/zinc/34/56/25/135345625.db2.gz YVMOPWRXFCUICC-FVCCEPFGSA-N 2 0 240.391 1.371 10 0 BDAERP C[C@@H](O)[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000166116668 136074340 /nfs/dbraw/zinc/07/43/40/136074340.db2.gz SETXOWGPMPTXDC-CHWSQXEVSA-N 2 0 226.364 1.175 10 0 BDAERP CC(C)C[C@H](CN[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922057 398098105 /nfs/dbraw/zinc/09/81/05/398098105.db2.gz YKSBFQYETXTMBS-UONOGXRCSA-N 2 0 241.423 1.694 10 0 BDAERP CC(C)[NH2+]CCCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559696 167099217 /nfs/dbraw/zinc/09/92/17/167099217.db2.gz SCZKTEDNXSWMAQ-LBPRGKRZSA-N 2 0 243.395 1.221 10 0 BDAERP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262107152 487588872 /nfs/dbraw/zinc/58/88/72/487588872.db2.gz JSPXPFFKWPZHGA-VOAKCMCISA-N 2 0 240.391 1.371 10 0 BDAERP CO[C@@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662266532 409567080 /nfs/dbraw/zinc/56/70/80/409567080.db2.gz IDGPJHNQIJZBLF-KBPBESRZSA-N 2 0 240.391 1.875 10 0 BDAERP Cc1c[nH+]ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000070047557 410431061 /nfs/dbraw/zinc/43/10/61/410431061.db2.gz OMRWICYCBJGXHL-NSHDSACASA-N 2 0 205.305 1.944 10 0 BDAERP CC(C)(C)[C@@H]([NH3+])CC[NH+]1CCSCC1 ZINC000054027393 166695848 /nfs/dbraw/zinc/69/58/48/166695848.db2.gz ANJPKLVVNJQWHJ-JTQLQIEISA-N 2 0 216.394 1.799 10 0 BDAERP [NH3+]C1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000665235040 410726346 /nfs/dbraw/zinc/72/63/46/410726346.db2.gz ORUVVGVNUAVDLN-HTAVTVPLSA-N 2 0 212.337 1.007 10 0 BDAERP CC(C)C[NH2+]C[C@@H](C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062971879 167005136 /nfs/dbraw/zinc/00/51/36/167005136.db2.gz ATUFQAWMQYQKQS-KGLIPLIRSA-N 2 0 241.423 1.504 10 0 BDAERP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000053031280 167007204 /nfs/dbraw/zinc/00/72/04/167007204.db2.gz ABWHYHXEDWWIEG-ZDUSSCGKSA-N 2 0 240.391 1.733 10 0 BDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CC2)O1 ZINC000052445587 167008169 /nfs/dbraw/zinc/00/81/69/167008169.db2.gz VEUPOYYPVVJXHX-KGLIPLIRSA-N 2 0 240.391 1.874 10 0 BDAERP CC(C)NC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000034960476 167051861 /nfs/dbraw/zinc/05/18/61/167051861.db2.gz CZDUOPDFPMLZRJ-UHFFFAOYSA-N 2 0 241.379 1.104 10 0 BDAERP CC(C)[NH2+]CC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000104412947 167099469 /nfs/dbraw/zinc/09/94/69/167099469.db2.gz MJZSOMVNTVXZML-ZIAGYGMSSA-N 2 0 240.391 1.610 10 0 BDAERP CC(C)[NH2+]C[C@@H]1CCN(CC[N@H+](C)C(C)C)C1 ZINC000054127389 167113626 /nfs/dbraw/zinc/11/36/26/167113626.db2.gz FRNYQCMICCTDSS-AWEZNQCLSA-N 2 0 241.423 1.647 10 0 BDAERP CC(C)[NH2+]C[C@H]1CCCCN1CC[NH+](C)C ZINC000053651650 167115301 /nfs/dbraw/zinc/11/53/01/167115301.db2.gz VOYZJDSUQADLBO-CYBMUJFWSA-N 2 0 227.396 1.401 10 0 BDAERP CC[NH+](CC)CCOCC[NH2+]C1CC1 ZINC000052671690 169781925 /nfs/dbraw/zinc/78/19/25/169781925.db2.gz UBZYNKZPRLJOGR-UHFFFAOYSA-N 2 0 200.326 1.097 10 0 BDAERP CC(C)[C@@H](C[NH+](C)C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000054243587 167394765 /nfs/dbraw/zinc/39/47/65/167394765.db2.gz JEECUTQFMMOFFM-UONOGXRCSA-N 2 0 241.423 1.504 10 0 BDAERP CC[NH+](CC)[C@@H]1CCN(C(=[NH2+])NC2CC2)C1 ZINC000062985206 169797082 /nfs/dbraw/zinc/79/70/82/169797082.db2.gz QNKYFLHMKHOJKD-LLVKDONJSA-N 2 0 224.352 1.089 10 0 BDAERP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC000062980221 169802014 /nfs/dbraw/zinc/80/20/14/169802014.db2.gz YPKSZUFKRMYJLI-KBPBESRZSA-N 2 0 239.407 1.545 10 0 BDAERP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000656193365 411200579 /nfs/dbraw/zinc/20/05/79/411200579.db2.gz IFMFKPZUFVINOQ-AGIUHOORSA-N 2 0 233.359 1.600 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400940594 411165489 /nfs/dbraw/zinc/16/54/89/411165489.db2.gz LOENNWGHGRCSHB-SYQHCUMBSA-N 2 0 238.375 1.533 10 0 BDAERP CCC(C)(C)[NH2+]CC1C(=O)[O+]=NN1C(C)C ZINC000083250952 168299414 /nfs/dbraw/zinc/29/94/14/168299414.db2.gz YFIZPYLFQOJSKG-UHFFFAOYSA-O 2 0 228.316 1.527 10 0 BDAERP CCN(C1CC[NH+](CC)CC1)[C@@H]1CCC[NH2+]C1 ZINC000104351520 169953776 /nfs/dbraw/zinc/95/37/76/169953776.db2.gz CLCNPNHYSBODQQ-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH+]1CCN([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052422550 169998784 /nfs/dbraw/zinc/99/87/84/169998784.db2.gz OZZWUQJLTGJAFF-OAHLLOKOSA-N 2 0 247.386 1.585 10 0 BDAERP CC[N@@H+]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172165 170007711 /nfs/dbraw/zinc/00/77/11/170007711.db2.gz NLVKNCWMLUWKHA-ZDUSSCGKSA-N 2 0 226.364 1.344 10 0 BDAERP CC[NH2+]CCC(=O)N(CC[NH+](C)C)CC(C)C ZINC000061296577 170111930 /nfs/dbraw/zinc/11/19/30/170111930.db2.gz MVQOKASGPOIFQS-UHFFFAOYSA-N 2 0 243.395 1.032 10 0 BDAERP CC[NH2+]CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053249820 170112270 /nfs/dbraw/zinc/11/22/70/170112270.db2.gz AUYMNOBUPIRGCX-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371223 170118107 /nfs/dbraw/zinc/11/81/07/170118107.db2.gz NRPCRVNPYFOASW-AWEZNQCLSA-N 2 0 239.407 1.401 10 0 BDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)CCOC)O1 ZINC000052542779 170120452 /nfs/dbraw/zinc/12/04/52/170120452.db2.gz RVTOYABDGNKDME-STQMWFEESA-N 2 0 244.379 1.112 10 0 BDAERP CC[NH2+]C[C@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000053031551 170122491 /nfs/dbraw/zinc/12/24/91/170122491.db2.gz YISYBFAIBZHMCQ-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+]C[C@]1(C[N@H+](C)[C@@H](C)C2CC2)CCOC1 ZINC000051217588 170123250 /nfs/dbraw/zinc/12/32/50/170123250.db2.gz JULVUHRVYXVJPQ-JSGCOSHPSA-N 2 0 240.391 1.733 10 0 BDAERP CC[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000032024432 170129705 /nfs/dbraw/zinc/12/97/05/170129705.db2.gz LLOLQOINSZXZRJ-UHFFFAOYSA-N 2 0 222.332 1.737 10 0 BDAERP CC[NH2+]Cc1coc(COCCC[NH+](C)C)c1 ZINC000052672539 170130876 /nfs/dbraw/zinc/13/08/76/170130876.db2.gz PYTCRRFOUDVZGK-UHFFFAOYSA-N 2 0 240.347 1.857 10 0 BDAERP CC[NH2+][C@@H](C)[C@@H](C)N1CCCOCC1 ZINC000061917902 170140295 /nfs/dbraw/zinc/14/02/95/170140295.db2.gz PXUDGYZWDVEPJE-WDEREUQCSA-N 2 0 200.326 1.095 10 0 BDAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643569 170144281 /nfs/dbraw/zinc/14/42/81/170144281.db2.gz HBYCKMVNIFEMRE-MCIONIFRSA-N 2 0 241.423 1.789 10 0 BDAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810841 170150684 /nfs/dbraw/zinc/15/06/84/170150684.db2.gz UQPBQQAIGFDXCE-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000049711410 170167316 /nfs/dbraw/zinc/16/73/16/170167316.db2.gz NMUVROYJCUSVBO-AAEUAGOBSA-N 2 0 226.364 1.485 10 0 BDAERP CCOC(=O)[C@H](C)C[NH2+]CCC[NH+]1CCCC1 ZINC000062072603 170264596 /nfs/dbraw/zinc/26/45/96/170264596.db2.gz RDYDYDCWQMUVIJ-GFCCVEGCSA-N 2 0 242.363 1.261 10 0 BDAERP CCOC1CC[NH+](C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053870213 170332171 /nfs/dbraw/zinc/33/21/71/170332171.db2.gz WOAJRIPVUPNIKY-AAEUAGOBSA-N 2 0 226.364 1.615 10 0 BDAERP CCOc1cccc([C@H](C[NH3+])CC[NH3+])c1 ZINC000041217913 170585181 /nfs/dbraw/zinc/58/51/81/170585181.db2.gz AKJNUUJJXFLRMY-NSHDSACASA-N 2 0 208.305 1.476 10 0 BDAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCN(C)CC2)C1 ZINC000037157142 171040288 /nfs/dbraw/zinc/04/02/88/171040288.db2.gz LXDFJEAQCBTDNI-HZSPNIEDSA-N 2 0 239.407 1.387 10 0 BDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCOC[C@@H]2C)C1 ZINC000035773990 171055687 /nfs/dbraw/zinc/05/56/87/171055687.db2.gz INMUDLUUCMYQBY-REWJHTLYSA-N 2 0 240.391 1.861 10 0 BDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](CCO)C2CC2)C1 ZINC000042478777 171056494 /nfs/dbraw/zinc/05/64/94/171056494.db2.gz UIMYNXJQLSBDAO-YRGRVCCFSA-N 2 0 240.391 1.597 10 0 BDAERP CC[C@@H]1C[NH2+][C@H](C)CN1C1CC[NH+](C)CC1 ZINC000083085361 171101925 /nfs/dbraw/zinc/10/19/25/171101925.db2.gz HUVHACPWBIVYNN-VXGBXAGGSA-N 2 0 225.380 1.153 10 0 BDAERP CC[C@H](C)[NH+]1CCN([C@](C)(C[NH3+])C(C)C)CC1 ZINC000055064417 171318440 /nfs/dbraw/zinc/31/84/40/171318440.db2.gz CCEROQSTMPCBHA-UONOGXRCSA-N 2 0 241.423 1.776 10 0 BDAERP CC[C@H](C)[NH2+]C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000104140314 171341362 /nfs/dbraw/zinc/34/13/62/171341362.db2.gz ARMKHAYPRNYPTO-QWHCGFSZSA-N 2 0 241.423 1.789 10 0 BDAERP CC[C@H](C)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)OC ZINC000362975360 171369598 /nfs/dbraw/zinc/36/95/98/171369598.db2.gz FCYDMKDRLFAJPW-RWMBFGLXSA-N 2 0 228.380 1.779 10 0 BDAERP CC[C@H](CC(N)=[NH2+])N1CC[C@H]([NH+](CC)CC)C1 ZINC000062980635 171418971 /nfs/dbraw/zinc/41/89/71/171418971.db2.gz ZFRFSDFQQIMACG-NEPJUHHUSA-N 2 0 240.395 1.507 10 0 BDAERP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000665236914 412176320 /nfs/dbraw/zinc/17/63/20/412176320.db2.gz WHVFBWJWBNQOHF-YNEHKIRRSA-N 2 0 239.407 1.447 10 0 BDAERP FC1(F)C[C@H]1OCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000665244893 412189799 /nfs/dbraw/zinc/18/97/99/412189799.db2.gz ZAIKLHWKZQWXDD-NXEZZACHSA-N 2 0 234.290 1.142 10 0 BDAERP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000665267147 412210795 /nfs/dbraw/zinc/21/07/95/412210795.db2.gz QMVZDJWJQWLPEC-AEJSXWLSSA-N 2 0 218.291 1.619 10 0 BDAERP CCn1cc[nH+]c1N[C@H]1CCCC[C@H]1[NH3+] ZINC000050614379 172227189 /nfs/dbraw/zinc/22/71/89/172227189.db2.gz KTBDKVSREVTKDA-ZJUUUORDSA-N 2 0 208.309 1.585 10 0 BDAERP CCn1nc(C)c([C@@H](C)[NH2+]CCC[NH3+])c1C ZINC000045171479 172248901 /nfs/dbraw/zinc/24/89/01/172248901.db2.gz KASDWUXYCVGGAI-SECBINFHSA-N 2 0 224.352 1.519 10 0 BDAERP C[NH+](C)C1CCN([C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000036191822 172406941 /nfs/dbraw/zinc/40/69/41/172406941.db2.gz SNTMPIDLDUHBHD-CHWSQXEVSA-N 2 0 225.380 1.282 10 0 BDAERP C[NH+]1CCC(Oc2ccnc(C[NH3+])c2)CC1 ZINC000051522049 173000732 /nfs/dbraw/zinc/00/07/32/173000732.db2.gz SCMLNGUERSXTLS-UHFFFAOYSA-N 2 0 221.304 1.013 10 0 BDAERP C[N@@H+]1CCCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000020217731 173015128 /nfs/dbraw/zinc/01/51/28/173015128.db2.gz VYYBTABYHLUSDX-UHFFFAOYSA-N 2 0 239.407 1.676 10 0 BDAERP C[N@@H+]1CCC[C@H](CN2CCC[NH2+]CCC2)C1 ZINC000044538727 173041019 /nfs/dbraw/zinc/04/10/19/173041019.db2.gz JRXOSPUZOPCVAM-ZDUSSCGKSA-N 2 0 225.380 1.014 10 0 BDAERP C[NH+]1CCCC[C@H]1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000054243710 173041933 /nfs/dbraw/zinc/04/19/33/173041933.db2.gz CGKWHDWBMNGGMF-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP CN(c1ccnc(C[NH3+])c1)[C@H]1CCC[N@H+](C)C1 ZINC000053249212 173044636 /nfs/dbraw/zinc/04/46/36/173044636.db2.gz DDQDCYBPOLCTDQ-ZDUSSCGKSA-N 2 0 234.347 1.071 10 0 BDAERP CN1CC[NH+](C[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000053861671 173085192 /nfs/dbraw/zinc/08/51/92/173085192.db2.gz ULIGJCBISDVBBF-CHWSQXEVSA-N 2 0 225.380 1.141 10 0 BDAERP C[NH+]1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000022214494 173092830 /nfs/dbraw/zinc/09/28/30/173092830.db2.gz RUABTXOWOJENAL-ZDUSSCGKSA-N 2 0 225.380 1.141 10 0 BDAERP CN(Cc1cccc(O)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000156019806 173111705 /nfs/dbraw/zinc/11/17/05/173111705.db2.gz JYLRGWZQWNELMO-CYBMUJFWSA-N 2 0 234.343 1.776 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC000037485049 173115720 /nfs/dbraw/zinc/11/57/20/173115720.db2.gz BUMDEJUMPGGHFY-RYUDHWBXSA-N 2 0 212.337 1.097 10 0 BDAERP C[N@@H+]1CC[C@@](C[NH3+])(N2CCC(C)(C)CC2)C1 ZINC000061990820 173136749 /nfs/dbraw/zinc/13/67/49/173136749.db2.gz LJOVPSMUWABSLN-ZDUSSCGKSA-N 2 0 225.380 1.141 10 0 BDAERP C[NH2+]C1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000044537335 173323097 /nfs/dbraw/zinc/32/30/97/173323097.db2.gz YHBLXXQVNRXMFF-GFCCVEGCSA-N 2 0 225.380 1.012 10 0 BDAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1 ZINC000054629787 173323635 /nfs/dbraw/zinc/32/36/35/173323635.db2.gz YVTDGJZUYDHMKR-YHWZYXNKSA-N 2 0 234.347 1.098 10 0 BDAERP C[NH2+]C1CC[NH+]([C@H](C)[C@H]2CCCO2)CC1 ZINC000035735974 173324582 /nfs/dbraw/zinc/32/45/82/173324582.db2.gz AIOKDRGIADLWMF-ZYHUDNBSSA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]CCCCC[N@H+](CCN(C)C)CC(C)C ZINC000052503375 173345150 /nfs/dbraw/zinc/34/51/50/173345150.db2.gz VBUVOGJVHDCEQH-UHFFFAOYSA-N 2 0 243.439 1.896 10 0 BDAERP C[NH2+]CCC[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055082909 173350391 /nfs/dbraw/zinc/35/03/91/173350391.db2.gz KUEDQGVGRSJYTO-AWEZNQCLSA-N 2 0 241.423 1.648 10 0 BDAERP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000040591901 173368287 /nfs/dbraw/zinc/36/82/87/173368287.db2.gz GZRAJPODPKZBQG-WDEREUQCSA-N 2 0 214.378 1.423 10 0 BDAERP C[NH2+]C[C@@]1(C[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC000051208967 173373218 /nfs/dbraw/zinc/37/32/18/173373218.db2.gz LSXUNTDTXZYXOC-QWHCGFSZSA-N 2 0 226.364 1.487 10 0 BDAERP C[NH2+]C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571568 173376196 /nfs/dbraw/zinc/37/61/96/173376196.db2.gz YUMURYOXTSLYEQ-NSHDSACASA-N 2 0 213.369 1.010 10 0 BDAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590670 173378444 /nfs/dbraw/zinc/37/84/44/173378444.db2.gz XGNXFVYCFJJRRS-VXGBXAGGSA-N 2 0 228.405 1.813 10 0 BDAERP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccccc2)CCOC1 ZINC000051212130 173384237 /nfs/dbraw/zinc/38/42/37/173384237.db2.gz MLXGSLUKVVWEAN-HNNXBMFYSA-N 2 0 248.370 1.745 10 0 BDAERP C[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)C2)on1 ZINC000052381333 173387492 /nfs/dbraw/zinc/38/74/92/173387492.db2.gz ZSTAZFXUNAVHCC-JTQLQIEISA-N 2 0 223.320 1.626 10 0 BDAERP COCC[NH+](CCOC)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070578522 174296198 /nfs/dbraw/zinc/29/61/98/174296198.db2.gz GSAKKBABIMWQOI-CHWSQXEVSA-N 2 0 244.379 1.099 10 0 BDAERP COCC[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053498867 174332047 /nfs/dbraw/zinc/33/20/47/174332047.db2.gz RGPIGOQDOHEONQ-KBPBESRZSA-N 2 0 242.407 1.981 10 0 BDAERP COCC[NH2+]Cc1ccc(C[NH+](C)C)o1 ZINC000045205585 174336012 /nfs/dbraw/zinc/33/60/12/174336012.db2.gz LQQOZLDWVFEHLZ-UHFFFAOYSA-N 2 0 212.293 1.077 10 0 BDAERP COCC[C@@H]([NH3+])CN(C)Cc1ccc(C)cc1 ZINC000052810619 174391443 /nfs/dbraw/zinc/39/14/43/174391443.db2.gz ZYVRPBQUAWFNAH-CQSZACIVSA-N 2 0 236.359 1.791 10 0 BDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225813649 487630172 /nfs/dbraw/zinc/63/01/72/487630172.db2.gz WSHWEQFWTSBIMI-NWDGAFQWSA-N 2 0 243.395 1.206 10 0 BDAERP COc1cccc(C[C@](C)(C[NH3+])C[NH+](C)C)c1 ZINC000011800571 175272187 /nfs/dbraw/zinc/27/21/87/175272187.db2.gz FJBMLUWUMXJXMW-CQSZACIVSA-N 2 0 236.359 1.764 10 0 BDAERP C[C@@H](CC[NH3+])C[N@H+](C)CCc1ccncc1 ZINC000049818713 175672362 /nfs/dbraw/zinc/67/23/62/175672362.db2.gz FXQLJFYKMPIGAD-LBPRGKRZSA-N 2 0 221.348 1.541 10 0 BDAERP C[C@@H]([C@H]([NH3+])c1ccccc1)N(C)CC[NH+](C)C ZINC000104200771 176012077 /nfs/dbraw/zinc/01/20/77/176012077.db2.gz KWKZKNVVICXAEI-JSGCOSHPSA-N 2 0 235.375 1.568 10 0 BDAERP C[C@@H](c1cnn(C)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000084494223 176037381 /nfs/dbraw/zinc/03/73/81/176037381.db2.gz DLAIFLXDJGYWGE-WDEREUQCSA-N 2 0 222.336 1.152 10 0 BDAERP C[C@@H]1CCC[N@H+](CCC[C@](C)([NH3+])C(N)=O)CC1 ZINC000104353533 176098271 /nfs/dbraw/zinc/09/82/71/176098271.db2.gz UOQPDAZVHUOVOP-YPMHNXCESA-N 2 0 241.379 1.091 10 0 BDAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000020217715 176151633 /nfs/dbraw/zinc/15/16/33/176151633.db2.gz JZHFXBGRKQLENN-KGLIPLIRSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@@H]1CCN(C2CC[NH+](C)CC2)CC[C@@H](C)[NH2+]1 ZINC000049665938 176167051 /nfs/dbraw/zinc/16/70/51/176167051.db2.gz WBBUZQMNIMVBKX-CHWSQXEVSA-N 2 0 239.407 1.543 10 0 BDAERP C[C@@H]1CC[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000049666851 176170858 /nfs/dbraw/zinc/17/08/58/176170858.db2.gz MORFCMNRWXSMMW-CYBMUJFWSA-N 2 0 233.359 1.698 10 0 BDAERP C[C@@H]1CCN(C[C@@H]2CC[N@H+](C)C2)CC[C@@H](C)[NH2+]1 ZINC000049666489 176172293 /nfs/dbraw/zinc/17/22/93/176172293.db2.gz YVNDRGGKJHXZKU-MGPQQGTHSA-N 2 0 239.407 1.401 10 0 BDAERP C[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000044390370 176180525 /nfs/dbraw/zinc/18/05/25/176180525.db2.gz KDNDZFXVDWMCML-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000324598447 487633440 /nfs/dbraw/zinc/63/34/40/487633440.db2.gz HVZGYUBUYOBFOW-OUAUKWLOSA-N 2 0 214.353 1.253 10 0 BDAERP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](C)C2)S1 ZINC000044538318 176324322 /nfs/dbraw/zinc/32/43/22/176324322.db2.gz SRCNHYBCDYBNQM-NXEZZACHSA-N 2 0 227.377 1.409 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000104214951 176329060 /nfs/dbraw/zinc/32/90/60/176329060.db2.gz SYNADQUOVXWYMA-TZMCWYRMSA-N 3 0 239.407 1.116 10 0 BDAERP C[C@H]1CCC[N@H+](CCN2CCC[NH2+]CC2)C1 ZINC000061274908 177098179 /nfs/dbraw/zinc/09/81/79/177098179.db2.gz GAPMQEFSYUXPQF-ZDUSSCGKSA-N 2 0 225.380 1.014 10 0 BDAERP C[C@H]1CCC[N@H+](CCC[C@](C)([NH3+])C(N)=O)CC1 ZINC000104353537 177098705 /nfs/dbraw/zinc/09/87/05/177098705.db2.gz UOQPDAZVHUOVOP-AAEUAGOBSA-N 2 0 241.379 1.091 10 0 BDAERP C[C@H]1CCC[N@H+](Cc2cc(C[NH3+])no2)C1 ZINC000052381445 177099165 /nfs/dbraw/zinc/09/91/65/177099165.db2.gz FRBIQBISEGUKKP-VIFPVBQESA-N 2 0 209.293 1.365 10 0 BDAERP C[C@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000020217714 177127968 /nfs/dbraw/zinc/12/79/68/177127968.db2.gz JZHFXBGRKQLENN-UONOGXRCSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@H]1C[N@H+](Cc2cc(C[NH3+])co2)CCCO1 ZINC000061935626 177261315 /nfs/dbraw/zinc/26/13/15/177261315.db2.gz PEQPWXVQMLWOJB-JTQLQIEISA-N 2 0 224.304 1.349 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](Cc2ccccn2)C1 ZINC000049666527 177285249 /nfs/dbraw/zinc/28/52/49/177285249.db2.gz LZJNWOQCBFJLMA-BETUJISGSA-N 2 0 233.359 1.759 10 0 BDAERP C[C@@H]1C[C@H](C)C[N@@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052180575 177313460 /nfs/dbraw/zinc/31/34/60/177313460.db2.gz UVNLZVLPQNIUCR-BETUJISGSA-N 2 0 240.391 1.720 10 0 BDAERP CSC1(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400345117 225029378 /nfs/dbraw/zinc/02/93/78/225029378.db2.gz IERKTNLRDVTPKM-MNOVXSKESA-N 2 0 228.405 1.860 10 0 BDAERP COCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400354912 226341583 /nfs/dbraw/zinc/34/15/83/226341583.db2.gz LSUKSMXWXMJFCA-QWRGUYRKSA-N 2 0 214.353 1.247 10 0 BDAERP CSC1(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400432171 226343435 /nfs/dbraw/zinc/34/34/35/226343435.db2.gz CCUYECKPFQLKSM-NXEZZACHSA-N 2 0 214.378 1.470 10 0 BDAERP Cn1nccc1CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226468276 487753328 /nfs/dbraw/zinc/75/33/28/487753328.db2.gz LYXFCETYONKZQR-LBPRGKRZSA-N 2 0 236.363 1.037 10 0 BDAERP CCCCOCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400402367 528611053 /nfs/dbraw/zinc/61/10/53/528611053.db2.gz QPRSCIAOSCXQGS-VXGBXAGGSA-N 2 0 214.353 1.391 10 0 BDAERP CC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566555654 323004857 /nfs/dbraw/zinc/00/48/57/323004857.db2.gz HHSTZZZSDOQOFC-SRVKXCTJSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCC[NH2+]C1 ZINC000566091062 325992779 /nfs/dbraw/zinc/99/27/79/325992779.db2.gz YVNJCUPTJWSLPV-CHWSQXEVSA-N 2 0 242.407 1.763 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566732240 326076946 /nfs/dbraw/zinc/07/69/46/326076946.db2.gz LIQXWTIHPMPEHH-MJBXVCDLSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000567639300 326236117 /nfs/dbraw/zinc/23/61/17/326236117.db2.gz FIFJFHRFDORPAK-VXGBXAGGSA-N 2 0 226.364 1.269 10 0 BDAERP C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000568381601 326351343 /nfs/dbraw/zinc/35/13/43/326351343.db2.gz VDMYVONNEHDCLB-BDAKNGLRSA-N 2 0 224.270 1.917 10 0 BDAERP C[C@H]([NH2+]CCCC(C)(C)CO)[C@@H]1CCC[NH2+]C1 ZINC000569211797 326394996 /nfs/dbraw/zinc/39/49/96/326394996.db2.gz KSKPETPYTMKKKX-QWHCGFSZSA-N 2 0 242.407 1.763 10 0 BDAERP C[C@@H]([NH2+]CCCC(C)(C)CO)[C@H]1CCC[NH2+]C1 ZINC000569211796 326395191 /nfs/dbraw/zinc/39/51/91/326395191.db2.gz KSKPETPYTMKKKX-OLZOCXBDSA-N 2 0 242.407 1.763 10 0 BDAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400940590 488009933 /nfs/dbraw/zinc/00/99/33/488009933.db2.gz LOENNWGHGRCSHB-RQJABVFESA-N 2 0 238.375 1.533 10 0 BDAERP C[C@@H]([NH2+]CC1CC(O)C1)C1CC[NH+](C)CC1 ZINC000084446751 488052212 /nfs/dbraw/zinc/05/22/12/488052212.db2.gz XGMWSHRDHLPRTR-XSRFYTQQSA-N 2 0 226.364 1.077 10 0 BDAERP CCC[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000389517726 488099780 /nfs/dbraw/zinc/09/97/80/488099780.db2.gz GICPTFAOQLQQNW-CHWSQXEVSA-N 2 0 225.380 1.202 10 0 BDAERP CCN(CCC[NH+](C)C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000230710696 488140927 /nfs/dbraw/zinc/14/09/27/488140927.db2.gz WLPXPWLHLKELRL-GFCCVEGCSA-N 2 0 243.395 1.160 10 0 BDAERP C[C@H]([NH2+]CC1(CO)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400359855 490282131 /nfs/dbraw/zinc/28/21/31/490282131.db2.gz PVGYCSGAKQCFFZ-QWHCGFSZSA-N 2 0 240.391 1.517 10 0 BDAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@@H](C)CCO2 ZINC000757143594 582523815 /nfs/dbraw/zinc/52/38/15/582523815.db2.gz DNVPWZTXUWLABH-LBPRGKRZSA-N 2 0 226.364 1.833 10 0 BDAERP C[C@H]([NH2+]CCOC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400432969 533860749 /nfs/dbraw/zinc/86/07/49/533860749.db2.gz LSPAABRXRKLFRU-YUMQZZPRSA-N 2 0 226.242 1.110 10 0 BDAERP C[C@H]([NH2+]C[C@@]1(C)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400416651 533892869 /nfs/dbraw/zinc/89/28/69/533892869.db2.gz VOSKJJJCXOWMPU-QJPTWQEYSA-N 2 0 212.337 1.143 10 0 BDAERP C[NH2+]Cc1cccnc1N1CCC([NH+](C)C)CC1 ZINC000051444746 536470380 /nfs/dbraw/zinc/47/03/80/536470380.db2.gz OTWXVPPZNJGUJV-UHFFFAOYSA-N 2 0 248.374 1.331 10 0 BDAERP CC(C)CSCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400466935 528226997 /nfs/dbraw/zinc/22/69/97/528226997.db2.gz WHORPRQFAJPTEH-VXGBXAGGSA-N 2 0 230.421 1.963 10 0 BDAERP CCC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400427496 528485193 /nfs/dbraw/zinc/48/51/93/528485193.db2.gz ZCENNFSACSIILK-UTUOFQBUSA-N 2 0 214.353 1.125 10 0 BDAERP CCCCOCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400744806 528586910 /nfs/dbraw/zinc/58/69/10/528586910.db2.gz UHBXUOCTKPMRER-QWHCGFSZSA-N 2 0 228.380 1.781 10 0 BDAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400362132 528828716 /nfs/dbraw/zinc/82/87/16/528828716.db2.gz CJOXXCGROIAQQB-AGIUHOORSA-N 2 0 227.396 1.303 10 0 BDAERP CC(C)[NH+](CCN[C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400423059 528906563 /nfs/dbraw/zinc/90/65/63/528906563.db2.gz XRTQPLKRUBHLIU-KBPBESRZSA-N 2 0 241.423 1.693 10 0 BDAERP CC[C@@H](CC[NH3+])N1CCN(c2cc[nH+]cc2)CC1 ZINC000037039547 535739860 /nfs/dbraw/zinc/73/98/60/535739860.db2.gz FCHQKSMTMPIEND-ZDUSSCGKSA-N 2 0 248.374 1.331 10 0 BDAERP C[C@H]1C[NH2+]C[C@@]2(CCCN2CC[NH+](C)C)C1 ZINC000757125097 582500184 /nfs/dbraw/zinc/50/01/84/582500184.db2.gz DDGRKOOKGLUBIR-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCCF ZINC000757130800 582504901 /nfs/dbraw/zinc/50/49/01/582504901.db2.gz OCKQSXDDTRLZSL-NWDGAFQWSA-N 2 0 214.328 1.953 10 0 BDAERP COCC[C@H](C)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757134050 582510314 /nfs/dbraw/zinc/51/03/14/582510314.db2.gz VYVNRERYBGGMSD-LBPRGKRZSA-N 2 0 226.364 1.629 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@@H](C)C[C@@H](C)O2 ZINC000757145027 582526643 /nfs/dbraw/zinc/52/66/43/582526643.db2.gz HOTMWNWISZHZAK-WDEREUQCSA-N 2 0 212.337 1.585 10 0 BDAERP CCC[C@@H]1CC[NH2+]C2(CC[NH+](CC)CC2)O1 ZINC000757151192 582535296 /nfs/dbraw/zinc/53/52/96/582535296.db2.gz QBNAPSAPLMGTRQ-GFCCVEGCSA-N 2 0 226.364 1.977 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757151943 582535961 /nfs/dbraw/zinc/53/59/61/582535961.db2.gz RYHMUOADDIHUGS-STQMWFEESA-N 2 0 224.348 1.587 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@@H](C)CC(C)(C)O2 ZINC000757152819 582537535 /nfs/dbraw/zinc/53/75/35/582537535.db2.gz UDLXHHWOLZTTQK-NSHDSACASA-N 2 0 226.364 1.975 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](C2CCOCC2)[NH2+]1 ZINC000757209795 582559806 /nfs/dbraw/zinc/55/98/06/582559806.db2.gz GKLPKHSZCXIFDC-LFSVMHDDSA-N 2 0 226.364 1.374 10 0 BDAERP [NH3+]C[C@@H]1CC[C@@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757209843 582560267 /nfs/dbraw/zinc/56/02/67/582560267.db2.gz DDCANYMKXXVDEZ-AAEUAGOBSA-N 2 0 218.300 1.499 10 0 BDAERP CC(=O)c1cccc([C@H]2C[C@H](C[NH3+])CC[NH2+]2)c1 ZINC000757218027 582562563 /nfs/dbraw/zinc/56/25/63/582562563.db2.gz UTRGCHDQFWOCLN-BXUZGUMPSA-N 2 0 232.327 1.889 10 0 BDAERP C[C@@H]1CN2C(=[NH+]1)N=CC=C2[C@@H]1CCC[NH2+]C1 ZINC000235422106 582579699 /nfs/dbraw/zinc/57/96/99/582579699.db2.gz WMHSDAPIAFKQMB-NXEZZACHSA-N 2 0 218.304 1.014 10 0 BDAERP CN1CCC([N@H+](C)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675053867 583929028 /nfs/dbraw/zinc/92/90/28/583929028.db2.gz OWCMWESDBBMSJW-GXTWGEPZSA-N 2 0 239.407 1.530 10 0 BDAERP c1cn2c([nH+]1)NCC[C@H]2[C@@H]1CCC[NH2+]C1 ZINC000232461115 585031006 /nfs/dbraw/zinc/03/10/06/585031006.db2.gz LPVYEHSIEQZYHK-ZJUUUORDSA-N 2 0 206.293 1.239 10 0 BDAERP CC1(C)CC2(CCO[C@H]2C[NH3+])CC(C)(C)[NH2+]1 ZINC000757206394 586437300 /nfs/dbraw/zinc/43/73/00/586437300.db2.gz AMVHVUXIPOBIEL-JTQLQIEISA-N 2 0 226.364 1.661 10 0 BDAERP NC[C@H]1CC[C@@H](c2cccc(C=O)c2)C[NH2+]1 ZINC000757210992 586437514 /nfs/dbraw/zinc/43/75/14/586437514.db2.gz FFFJNVOMLVBTQG-CHWSQXEVSA-N 2 0 218.300 1.293 10 0 BDAERP [NH3+]C[C@H]1CCC[NH2+][C@@H]1c1cccc(C=O)c1 ZINC000757210096 586438173 /nfs/dbraw/zinc/43/81/73/586438173.db2.gz DYBVBQYVOQAANK-CHWSQXEVSA-N 2 0 218.300 1.499 10 0 BDAERP CC(=O)c1cccc([C@H]2CC[C@H](C[NH3+])C[NH2+]2)c1 ZINC000757212316 586439354 /nfs/dbraw/zinc/43/93/54/586439354.db2.gz IBLUUUWRPNVNOQ-BXUZGUMPSA-N 2 0 232.327 1.889 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000757216664 586441059 /nfs/dbraw/zinc/44/10/59/586441059.db2.gz QMRJZLCJCQWZEH-GWCFXTLKSA-N 2 0 204.317 1.858 10 0 BDAERP CC(=O)c1cccc([C@@H]2[NH2+]CCC[C@H]2C[NH3+])c1 ZINC000757219095 586442058 /nfs/dbraw/zinc/44/20/58/586442058.db2.gz YESADMFSRLPKCG-KBPBESRZSA-N 2 0 232.327 1.889 10 0 BDAERP C[C@@H]1CCN[C@H](c2cccc(C[NH3+])c2)[C@H]1[NH3+] ZINC000757220251 586442074 /nfs/dbraw/zinc/44/20/74/586442074.db2.gz XPNMWCXEYJNJLV-JIMOISOXSA-N 2 0 219.332 1.143 10 0 BDAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757219970 586442284 /nfs/dbraw/zinc/44/22/84/586442284.db2.gz ZLXJTMVYHDJBKB-YPMHNXCESA-N 2 0 218.300 1.151 10 0 BDAERP N[C@@H]1C[NH2+]CC[C@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757232765 586443273 /nfs/dbraw/zinc/44/32/73/586443273.db2.gz JIGQPUZJHSRLMD-LSDHHAIUSA-N 2 0 245.370 1.427 10 0 BDAERP C[C@@H]1C[C@H]([C@@H]2[NH2+][C@H](C)C[C@@H](C)[C@H]2C[NH3+])CC[NH2+]1 ZINC000757234069 586443292 /nfs/dbraw/zinc/44/32/92/586443292.db2.gz KHVCEHLRTIGJCQ-UQPQVDFHSA-N 3 0 239.407 1.336 10 0 BDAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cnn(C)c2)[NH2+]1 ZINC000757234052 586443346 /nfs/dbraw/zinc/44/33/46/586443346.db2.gz KFBQEDMKSFIPCW-BSJXLVFVSA-N 2 0 222.336 1.054 10 0 BDAERP CC(C)(C)n1cc([C@H]2CC[C@H](C[NH3+])C[NH2+]2)cn1 ZINC000757236595 586443925 /nfs/dbraw/zinc/44/39/25/586443925.db2.gz OPIBWDZKVUSRQL-ZYHUDNBSSA-N 2 0 236.363 1.638 10 0 BDAERP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@@H]1N(C)C ZINC000124256705 589971205 /nfs/dbraw/zinc/97/12/05/589971205.db2.gz UMAAJOHJSSLERS-KGLIPLIRSA-N 2 0 241.423 1.778 10 0 BDAERP [NH3+]CCCCCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094462374 631576173 /nfs/dbraw/zinc/57/61/73/631576173.db2.gz VBGVHMIHSGFKCB-CQSZACIVSA-N 2 0 239.407 1.676 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]([NH3+])CC(F)F ZINC000310308007 632718697 /nfs/dbraw/zinc/71/86/97/632718697.db2.gz SHIOIPLNHGXALU-QWRGUYRKSA-N 2 0 249.349 1.385 10 0 BDAERP CCN1CCC[C@H]1C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000092633519 634197530 /nfs/dbraw/zinc/19/75/30/634197530.db2.gz YPAHHFYRTBRAOB-RDBSUJKOSA-N 2 0 239.407 1.530 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]12 ZINC000311052924 636995067 /nfs/dbraw/zinc/99/50/67/636995067.db2.gz HAYKUDNVFPCCQY-KBUPBQIOSA-N 2 0 246.354 1.389 10 0 BDAERP C[C@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000035776842 639920710 /nfs/dbraw/zinc/92/07/10/639920710.db2.gz MOFUCZUMTRDORF-LBPRGKRZSA-N 2 0 214.353 1.616 10 0 BDAERP CC(C)C[C@@H](O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000226076137 640726555 /nfs/dbraw/zinc/72/65/55/640726555.db2.gz ACPNTRASWZYKEU-NWDGAFQWSA-N 2 0 214.353 1.125 10 0 BDAERP Cc1cccc(NC[C@@H]2CC[C@H]([NH3+])C2)[nH+]1 ZINC000227645311 640843136 /nfs/dbraw/zinc/84/31/36/640843136.db2.gz NVVXLXOCEUZYKU-MNOVXSKESA-N 2 0 205.305 1.929 10 0 BDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1(O)CCCCC1 ZINC000087458315 640893174 /nfs/dbraw/zinc/89/31/74/640893174.db2.gz WTRRZTRMMQFIFA-CYBMUJFWSA-N 2 0 240.391 1.565 10 0 BDAERP COC1CC([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000230674502 641080268 /nfs/dbraw/zinc/08/02/68/641080268.db2.gz FTKIMDYVAZGGAF-QFWMXSHPSA-N 2 0 226.364 1.484 10 0 BDAERP Cc1cnc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000231740643 641199467 /nfs/dbraw/zinc/19/94/67/641199467.db2.gz YKKQWITXXAPEMR-NSHDSACASA-N 2 0 237.347 1.975 10 0 BDAERP CC(C)[C@H]1C[NH2+]C2(CC[NH+](C)CC2)OC1 ZINC000757141942 643303840 /nfs/dbraw/zinc/30/38/40/643303840.db2.gz CQZRCCJWWYBMQG-NSHDSACASA-N 2 0 212.337 1.300 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757151931 643341797 /nfs/dbraw/zinc/34/17/97/643341797.db2.gz RYHMUOADDIHUGS-QWHCGFSZSA-N 2 0 224.348 1.587 10 0 BDAERP C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666810 643363808 /nfs/dbraw/zinc/36/38/08/643363808.db2.gz IRFPNBAPLVTDPV-NEPJUHHUSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000082475010 643508612 /nfs/dbraw/zinc/50/86/12/643508612.db2.gz AIQJTXZIMMJQMS-CMPLNLGQSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251913017 644830307 /nfs/dbraw/zinc/83/03/07/644830307.db2.gz XIMSNBVORXDHLI-RDBSUJKOSA-N 2 0 237.391 1.012 10 0 BDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCCO1 ZINC000252682455 644878045 /nfs/dbraw/zinc/87/80/45/644878045.db2.gz CBDSYINWUZJDLA-NEPJUHHUSA-N 2 0 214.353 1.471 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CCC[NH2+]C1 ZINC000711034870 712275715 /nfs/dbraw/zinc/27/57/15/712275715.db2.gz OARQDVPNIDNBNF-XQQFMLRXSA-N 2 0 224.348 1.657 10 0 BDAERP COCC1CC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000714005057 712476850 /nfs/dbraw/zinc/47/68/50/712476850.db2.gz GARGTVHMXHDDCX-UPOSSJBDSA-N 2 0 212.337 1.271 10 0 BDAERP C1=CO[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000380028101 712682971 /nfs/dbraw/zinc/68/29/71/712682971.db2.gz WRIOGXZMHXXOTF-NEPJUHHUSA-N 2 0 210.321 1.411 10 0 BDAERP C[C@H]1C[N@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719873045 712824699 /nfs/dbraw/zinc/82/46/99/712824699.db2.gz ONUJMEFTHBMYNM-VHSXEESVSA-N 2 0 225.361 1.212 10 0 BDAERP C[C@H]1COC[C@H](C)[NH+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717923309 711492721 /nfs/dbraw/zinc/49/27/21/711492721.db2.gz QEJYNWJUTHXEPV-YFKTTZPYSA-N 2 0 212.337 1.223 10 0 BDAERP COCC1CC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000713978497 711501003 /nfs/dbraw/zinc/50/10/03/711501003.db2.gz PUMDMQJGALWYJN-WNYYMSAVSA-N 2 0 212.337 1.142 10 0 BDAERP C[C@H]([NH2+]CCC1CC=CC1)[C@@H]1CC[NH2+]C1 ZINC000724133505 711564448 /nfs/dbraw/zinc/56/44/48/711564448.db2.gz ZNVCUYULTQTMOF-WCQYABFASA-N 2 0 208.349 1.930 10 0 BDAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000722316262 711734893 /nfs/dbraw/zinc/73/48/93/711734893.db2.gz OGRMDCWCLBEULQ-CLRIEMFWSA-N 2 0 238.375 1.804 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000722316862 711734924 /nfs/dbraw/zinc/73/49/24/711734924.db2.gz UXSXKJJUCIBWFP-MGPQQGTHSA-N 2 0 238.375 1.676 10 0 BDAERP CC[C@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702288379 712045220 /nfs/dbraw/zinc/04/52/20/712045220.db2.gz VTAJAUPKEJUIHV-XQQFMLRXSA-N 2 0 226.364 1.031 10 0 BDAERP CCN1CCC[C@H]([NH2+]C2CC(SC)C2)C1 ZINC000706898886 712159340 /nfs/dbraw/zinc/15/93/40/712159340.db2.gz QUTPLBJFBFPEDM-UNXYVOJBSA-N 2 0 228.405 1.954 10 0 BDAERP C[C@H]1C[N@H+](CCc2cccs2)C[C@@H]1C[NH3+] ZINC000708862642 712201232 /nfs/dbraw/zinc/20/12/32/712201232.db2.gz PNXQNHKANZFPMT-QWRGUYRKSA-N 2 0 224.373 1.817 10 0 BDAERP CO[C@H]1C[N@H+](CCCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000708977094 712205420 /nfs/dbraw/zinc/20/54/20/712205420.db2.gz KEUBOKWTSOPINN-CHWSQXEVSA-N 2 0 226.364 1.615 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1[NH3+] ZINC000709695133 712216387 /nfs/dbraw/zinc/21/63/87/712216387.db2.gz BYHNRJXVVNKKOP-WOPDTQHZSA-N 2 0 240.391 1.859 10 0 BDAERP CC1(C)CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)OC1 ZINC000711390898 712297207 /nfs/dbraw/zinc/29/72/07/712297207.db2.gz PGSBJAPKXVVFAR-STQMWFEESA-N 2 0 240.391 1.923 10 0 BDAERP COCC1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000713978452 712476103 /nfs/dbraw/zinc/47/61/03/712476103.db2.gz PDHQFHMAMTZIKP-VWGAPNJBSA-N 2 0 238.375 1.389 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H]2CCOC[C@H]2C)CC1 ZINC000714752948 712497301 /nfs/dbraw/zinc/49/73/01/712497301.db2.gz FWMDVGMOYPTXER-NEPJUHHUSA-N 2 0 226.364 1.615 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H](C)[C@@H](C)OC)CC1 ZINC000714754868 712497915 /nfs/dbraw/zinc/49/79/15/712497915.db2.gz YQKRXZIPCMBCOX-WDEREUQCSA-N 2 0 214.353 1.613 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715391236 712522512 /nfs/dbraw/zinc/52/25/12/712522512.db2.gz 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Cc1cc2c(n1CC[NH+](C)C)CCC[C@@H]2[NH3+] ZINC000041726914 178293278 /nfs/dbraw/zinc/29/32/78/178293278.db2.gz OVMIUIALWFERDX-LBPRGKRZSA-N 2 0 221.348 1.694 10 0 BDAERP CCC(CC)[N@H+](CCO)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042499804 168374019 /nfs/dbraw/zinc/37/40/19/168374019.db2.gz JVFXVVFCPZUECI-TZMCWYRMSA-N 2 0 242.407 1.987 10 0 BDAERP Cc1ccnc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000335285887 136234174 /nfs/dbraw/zinc/23/41/74/136234174.db2.gz TVPMIKWCIZZXGY-DGCLKSJQSA-N 2 0 219.332 1.811 10 0 BDAERP Cc1nc(Cn2ccnc2)sc1C[NH3+] ZINC000306644465 361835214 /nfs/dbraw/zinc/83/52/14/361835214.db2.gz ZQRLBUFGXMHRKX-UHFFFAOYSA-N 2 0 208.290 1.155 10 0 BDAERP [NH3+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000212727033 539027977 /nfs/dbraw/zinc/02/79/77/539027977.db2.gz DVYMZSUMQKZFGP-CMPLNLGQSA-N 2 0 204.273 1.201 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]1[N@@H+]1CCCSCC1 ZINC000042444478 361999954 /nfs/dbraw/zinc/99/99/54/361999954.db2.gz ZNISZUCQEKNHOK-NXEZZACHSA-N 2 0 200.351 1.305 10 0 BDAERP 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10 0 BDAERP C[C@@H]1SCC[C@@H]1[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000235302866 344879420 /nfs/dbraw/zinc/87/94/20/344879420.db2.gz BESFMCGULWDRIF-GUBZILKMSA-N 2 0 200.351 1.161 10 0 BDAERP Cc1csc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000238498775 345064235 /nfs/dbraw/zinc/06/42/35/345064235.db2.gz IDWMPBXQHWDYKW-UHFFFAOYSA-N 2 0 210.346 1.980 10 0 BDAERP CSC[C@H](C)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000128129171 345116710 /nfs/dbraw/zinc/11/67/10/345116710.db2.gz XMBMGVAAJZIDRG-UWVGGRQHSA-N 2 0 202.367 1.422 10 0 BDAERP Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000634999597 345200064 /nfs/dbraw/zinc/20/00/64/345200064.db2.gz WUOATAXGOYUMJZ-ONGXEEELSA-N 2 0 235.331 1.122 10 0 BDAERP [NH3+]CC1([C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000669377833 537966366 /nfs/dbraw/zinc/96/63/66/537966366.db2.gz XVDRCXRXVIXBAV-HNNXBMFYSA-N 2 0 246.354 1.362 10 0 BDAERP CC[C@@H](C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377540 537964989 /nfs/dbraw/zinc/96/49/89/537964989.db2.gz STNPBWJBVJDOIR-GJZGRUSLSA-N 2 0 248.370 1.608 10 0 BDAERP [NH3+]C[C@@H]1CNC[C@H](C[NH+]2CCCCCC2)C1 ZINC000669378989 537972320 /nfs/dbraw/zinc/97/23/20/537972320.db2.gz RQQFAFSFTIVENT-CHWSQXEVSA-N 2 0 225.380 1.047 10 0 BDAERP CC(C)[NH+](C[C@H]1CNC[C@@H](C[NH3+])C1)C(C)C ZINC000669378797 537971161 /nfs/dbraw/zinc/97/11/61/537971161.db2.gz NVXJHVFTSYWIDC-CHWSQXEVSA-N 2 0 227.396 1.290 10 0 BDAERP CCC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000582073872 347175924 /nfs/dbraw/zinc/17/59/24/347175924.db2.gz SOWIOTJXZVIJHV-UPJWGTAASA-N 2 0 228.380 1.515 10 0 BDAERP C[N@H+]([C@@H]1CCSC1)[C@@H]1CCC[C@H]1[NH3+] ZINC000250430498 362803673 /nfs/dbraw/zinc/80/36/73/362803673.db2.gz QZJNARKNPAPNKJ-OPRDCNLKSA-N 2 0 200.351 1.304 10 0 BDAERP Cc1ccccc1C[NH2+]CCC[NH2+]CCO ZINC000013732710 179281074 /nfs/dbraw/zinc/28/10/74/179281074.db2.gz LYDUEJTXSHNVPK-UHFFFAOYSA-N 2 0 222.332 1.057 10 0 BDAERP Cc1ccccc1[C@H]([NH3+])CC[N@@H+](C)C[C@@H](C)O ZINC000054023283 179344069 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ZINC000307030467 351431727 /nfs/dbraw/zinc/43/17/27/351431727.db2.gz PNHLAICTZZPUTE-PSASIEDQSA-N 2 0 200.351 1.019 10 0 BDAERP CS[C@H]1CCN([C@H]2CCC[NH2+]C2)C1 ZINC000307139213 351495437 /nfs/dbraw/zinc/49/54/37/351495437.db2.gz HQKIFGOPBIMRSK-UWVGGRQHSA-N 2 0 200.351 1.176 10 0 BDAERP [NH3+]CC[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000725270931 538102935 /nfs/dbraw/zinc/10/29/35/538102935.db2.gz VUCUXQJKMUZLFB-ZETCQYMHSA-N 2 0 218.222 1.323 10 0 BDAERP CCc1ccc(NC(=[NH2+])COC)cc1C[NH3+] ZINC000003828125 187756995 /nfs/dbraw/zinc/75/69/95/187756995.db2.gz PHGHRUBAXSPVRN-UHFFFAOYSA-N 2 0 221.304 1.743 10 0 BDAERP C[C@@H]1CCC[C@@H](C)[NH+]1C1CCN(CC[NH3+])CC1 ZINC000725273973 538104824 /nfs/dbraw/zinc/10/48/24/538104824.db2.gz ZRQBTHOPOFZPSQ-CHWSQXEVSA-N 2 0 239.407 1.672 10 0 BDAERP CC(C)C[C@@H]1CN(CCC[NH+](C)C)CCC[NH2+]1 ZINC000062620570 187784347 /nfs/dbraw/zinc/78/43/47/187784347.db2.gz FORRGPQBYFRRTC-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP CC[C@@H]1[C@H](C)CC[N@@H+]1C1(CN)CSC1 ZINC000306595279 353028357 /nfs/dbraw/zinc/02/83/57/353028357.db2.gz XVEWAVFIUXQSQM-NXEZZACHSA-N 2 0 214.378 1.551 10 0 BDAERP C([C@@H]1CC12CC[NH2+]CC2)[NH+]1CCCCC1 ZINC000070257083 188487972 /nfs/dbraw/zinc/48/79/72/188487972.db2.gz SKGZJAIOTTYHQJ-LBPRGKRZSA-N 2 0 208.349 1.862 10 0 BDAERP CN(Cc1ccno1)[C@H]1CCC[NH2+]CC1 ZINC000231669448 363347120 /nfs/dbraw/zinc/34/71/20/363347120.db2.gz XYWUTZLNSFEORP-JTQLQIEISA-N 2 0 209.293 1.249 10 0 BDAERP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379455768 358489234 /nfs/dbraw/zinc/48/92/34/358489234.db2.gz SFXZALKFGXFMOL-NSHDSACASA-N 2 0 214.353 1.077 10 0 BDAERP CNC(=[NH2+])N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406013661 355611440 /nfs/dbraw/zinc/61/14/40/355611440.db2.gz VBBUABWSYSYABV-AWEZNQCLSA-N 2 0 246.358 1.395 10 0 BDAERP C[C@@H]1COC[C@H](C)[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420303504 192208012 /nfs/dbraw/zinc/20/80/12/192208012.db2.gz NNZRWZVRPPWAGS-XQQFMLRXSA-N 2 0 226.364 1.485 10 0 BDAERP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000384368498 356626954 /nfs/dbraw/zinc/62/69/54/356626954.db2.gz JKNRWHIXJQXKGQ-HZSPNIEDSA-N 2 0 240.391 1.611 10 0 BDAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(C[NH3+])cnn1C ZINC000675056008 538477305 /nfs/dbraw/zinc/47/73/05/538477305.db2.gz HTNHSNVMARDLHZ-WDEREUQCSA-N 2 0 236.363 1.499 10 0 BDAERP CN(CC12CCC(CC1)[NH2+]2)C1CC[NH+](C)CC1 ZINC000675056579 538478931 /nfs/dbraw/zinc/47/89/31/538478931.db2.gz STGRJCFOYNWHEF-UHFFFAOYSA-N 2 0 237.391 1.297 10 0 BDAERP Cc1nc(C)c(CC2=C[C@H](N)C[NH2+]C2)s1 ZINC000675077480 538514061 /nfs/dbraw/zinc/51/40/61/538514061.db2.gz FMWMKNANFQRQQJ-JTQLQIEISA-N 2 0 223.345 1.159 10 0 BDAERP [NH3+][C@H]1C=C(c2cc(F)ccc2F)CNC1 ZINC000675078479 538516375 /nfs/dbraw/zinc/51/63/75/538516375.db2.gz QBDJPJUDYSNPQU-VIFPVBQESA-N 2 0 210.227 1.279 10 0 BDAERP CCC(CC)[NH2+][C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080456 538519944 /nfs/dbraw/zinc/51/99/44/538519944.db2.gz QOGPJSBYGDPRGH-NWDGAFQWSA-N 2 0 226.364 1.661 10 0 BDAERP CC(C)[NH2+]CCN1CCC[N@@H+](C2CC2)CC1 ZINC000193430423 357033255 /nfs/dbraw/zinc/03/32/55/357033255.db2.gz AMCQODRDNGDYCN-UHFFFAOYSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@H]1C[N@@H+](C2CCSCC2)C[C@H]1[NH3+] ZINC000300048679 357176626 /nfs/dbraw/zinc/17/66/26/357176626.db2.gz LQBKOHAIGIWYFC-WCBMZHEXSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1[C@@H]1CCSC1 ZINC000168830404 357246950 /nfs/dbraw/zinc/24/69/50/357246950.db2.gz SAYLLDLONJIPQJ-OPRDCNLKSA-N 2 0 200.351 1.304 10 0 BDAERP c1cc(N2CCC[NH2+]CC2)ccc1C1=[NH+]OCC1 ZINC000584617278 358282048 /nfs/dbraw/zinc/28/20/48/358282048.db2.gz UDDLBKJGUOMPHM-UHFFFAOYSA-N 2 0 245.326 1.611 10 0 BDAERP CC[N@H+](CCC[NH3+])Cc1ccccc1OC ZINC000043457195 358376707 /nfs/dbraw/zinc/37/67/07/358376707.db2.gz HMEPGDBHKNTYIL-UHFFFAOYSA-N 2 0 222.332 1.866 10 0 BDAERP C[C@@H](NCC1([NH+](C)C)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578348080 366532187 /nfs/dbraw/zinc/53/21/87/366532187.db2.gz GSWCFEMLRNJRLZ-CHWSQXEVSA-N 2 0 239.407 1.448 10 0 BDAERP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)C1 ZINC000300390111 358987954 /nfs/dbraw/zinc/98/79/54/358987954.db2.gz RDKWSXCYWIIKCR-XWLWVQCSSA-N 2 0 214.378 1.740 10 0 BDAERP C[C@H]1CSC[C@H]1[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000306191973 359019585 /nfs/dbraw/zinc/01/95/85/359019585.db2.gz PUGSWBZRHQSBHM-UTINFBMNSA-N 2 0 200.351 1.017 10 0 BDAERP C[C@H]1[C@@H](C)[N@@H+](CCC(F)F)CC[C@@H]1[NH3+] ZINC000306219530 359338315 /nfs/dbraw/zinc/33/83/15/359338315.db2.gz MXWGVILITJHOEH-YIZRAAEISA-N 2 0 206.280 1.699 10 0 BDAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000089163560 359997009 /nfs/dbraw/zinc/99/70/09/359997009.db2.gz LRVGKZFHVKPKLC-JSGCOSHPSA-N 2 0 240.391 1.610 10 0 BDAERP C[C@@H]1[C@H](NC(N)=[NH2+])CC[N@@H+]1Cc1ccccc1 ZINC000306440771 360005790 /nfs/dbraw/zinc/00/57/90/360005790.db2.gz KUIUBFJHGZESNY-ZYHUDNBSSA-N 2 0 232.331 1.132 10 0 BDAERP CC[C@](C)([C@@H](C)[NH3+])[N@@H+]1CCSC[C@H]1C ZINC000306602763 360528991 /nfs/dbraw/zinc/52/89/91/360528991.db2.gz WJHPXLCMENZPCW-GMTAPVOTSA-N 2 0 216.394 1.940 10 0 BDAERP CC[C@@](C)(C[NH3+])[N@@H+]1CCCOC[C@H]1C ZINC000306592492 360511359 /nfs/dbraw/zinc/51/13/59/360511359.db2.gz WLXDSLSAWDIWRT-MNOVXSKESA-N 2 0 200.326 1.225 10 0 BDAERP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000578979058 366684723 /nfs/dbraw/zinc/68/47/23/366684723.db2.gz LHVCJIRJOAHCRI-LOWVWBTDSA-N 2 0 226.364 1.125 10 0 BDAERP C[C@@H](CC(N)=[NH2+])[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908675 361015398 /nfs/dbraw/zinc/01/53/98/361015398.db2.gz PDXBYYFCYKBNQP-XHNCKOQMSA-N 2 0 215.366 1.527 10 0 BDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000579227548 366738676 /nfs/dbraw/zinc/73/86/76/366738676.db2.gz OXTRFMRFUNNBCV-CHWSQXEVSA-N 2 0 242.407 1.715 10 0 BDAERP [NH3+]C1([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000004204192 181332008 /nfs/dbraw/zinc/33/20/08/181332008.db2.gz CVIWGPQILYTQHX-ZDUSSCGKSA-N 2 0 216.328 2.000 10 0 BDAERP [NH3+]CC1(N2CCn3ccnc3C2)CCCCCC1 ZINC000062249398 181360760 /nfs/dbraw/zinc/36/07/60/181360760.db2.gz MZANMOPTOOVCKY-UHFFFAOYSA-N 2 0 248.374 1.750 10 0 BDAERP CCc1nc(C)cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630569962 364266238 /nfs/dbraw/zinc/26/62/38/364266238.db2.gz LFUXLFNZHUTKTN-KOLCDFICSA-N 2 0 234.347 1.378 10 0 BDAERP [NH3+]CCCCCCCC[NH2+]CCC[NH3+] ZINC000028770166 181374984 /nfs/dbraw/zinc/37/49/84/181374984.db2.gz USFCFZJCWYDXBQ-UHFFFAOYSA-N 3 0 201.358 1.224 10 0 BDAERP CC1(C)C[NH+](C[C@H]2C[C@H]([NH3+])C2)CC(C)(C)O1 ZINC000675053880 541432998 /nfs/dbraw/zinc/43/29/98/541432998.db2.gz PKTXBLMHKCCORR-XYPYZODXSA-N 2 0 226.364 1.613 10 0 BDAERP [NH3+]CCC[N@H+](CCn1cccn1)C1CCCC1 ZINC000049313876 181380202 /nfs/dbraw/zinc/38/02/02/181380202.db2.gz CXSPMEFTTFGYBT-UHFFFAOYSA-N 2 0 236.363 1.477 10 0 BDAERP CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000575850753 365383779 /nfs/dbraw/zinc/38/37/79/365383779.db2.gz XCXIWOOOAAINNI-KWCYVHTRSA-N 2 0 242.407 1.761 10 0 BDAERP CC(C)[NH+]1CCC(N2CC[NH2+]C[C@H]2C)CC1 ZINC000383820572 541514739 /nfs/dbraw/zinc/51/47/39/541514739.db2.gz IAFITQXWVMJTMP-GFCCVEGCSA-N 2 0 225.380 1.153 10 0 BDAERP Cc1c[nH+]ccc1N[C@H](CC[NH3+])C(F)F ZINC000383480376 367625969 /nfs/dbraw/zinc/62/59/69/367625969.db2.gz NXTKYLKXKAFBDK-SECBINFHSA-N 2 0 215.247 1.206 10 0 BDAERP Cc1cnccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000384906618 367754966 /nfs/dbraw/zinc/75/49/66/367754966.db2.gz AOVONUGZGRHLFE-BFHYXJOUSA-N 2 0 231.343 1.559 10 0 BDAERP C[C@@H]([NH3+])[C@@H](C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000252842412 368163004 /nfs/dbraw/zinc/16/30/04/368163004.db2.gz COJAZENALVBDCJ-HBNTYKKESA-N 2 0 200.326 1.081 10 0 BDAERP C[NH2+][C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000039476994 368330417 /nfs/dbraw/zinc/33/04/17/368330417.db2.gz SCDNSNWEDZBNKM-IHRRRGAJSA-N 2 0 238.375 1.772 10 0 BDAERP C[C@@H]1SCC[N@H+]([C@@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC000253069371 368444213 /nfs/dbraw/zinc/44/42/13/368444213.db2.gz LOMGLRAUQAZDOU-UKKRHICBSA-N 2 0 214.378 1.692 10 0 BDAERP C[C@@H](C[N@@H+]1CCS[C@H](C)C1)C1C[NH2+]C1 ZINC000253173311 368592597 /nfs/dbraw/zinc/59/25/97/368592597.db2.gz LMVBMUFPZSXZRZ-VHSXEESVSA-N 2 0 214.378 1.279 10 0 BDAERP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567639902 326236625 /nfs/dbraw/zinc/23/66/25/326236625.db2.gz CVVCWVIMIKXAHU-UPJWGTAASA-N 2 0 228.380 1.229 10 0 BDAERP C[C@H]1CCN(Cc2ccccc2)[C@@H]1C[NH3+] ZINC000227109746 371786068 /nfs/dbraw/zinc/78/60/68/371786068.db2.gz RXLVACGMDNXSAR-WCQYABFASA-N 2 0 204.317 1.856 10 0 BDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1C1CC([NH3+])C1 ZINC000132790658 371923399 /nfs/dbraw/zinc/92/33/99/371923399.db2.gz SEDJDUKQKPQYHK-XHHQTKHESA-N 2 0 200.351 1.302 10 0 BDAERP Cc1cc(C)n(CC[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837066 372627403 /nfs/dbraw/zinc/62/74/03/372627403.db2.gz MJSHGBRMLQLKPE-GWCFXTLKSA-N 2 0 236.363 1.027 10 0 BDAERP Cc1nccn1CCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837794 372629409 /nfs/dbraw/zinc/62/94/09/372629409.db2.gz FMFIYEACABBTIO-YPMHNXCESA-N 2 0 236.363 1.108 10 0 BDAERP Cc1ncc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631838429 372630849 /nfs/dbraw/zinc/63/08/49/372630849.db2.gz OAIUVJNHVBPYEO-WPRPVWTQSA-N 2 0 225.361 1.478 10 0 BDAERP C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1C[NH3+] ZINC000631838268 372632423 /nfs/dbraw/zinc/63/24/23/372632423.db2.gz LIUJMOWURSBIFE-KBPBESRZSA-N 2 0 239.407 1.389 10 0 BDAERP O[C@@H]1CCCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000062072614 183188588 /nfs/dbraw/zinc/18/85/88/183188588.db2.gz SIGRSFDPSFXMQV-ZIAGYGMSSA-N 2 0 240.391 1.756 10 0 BDAERP O[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000096964631 183241270 /nfs/dbraw/zinc/24/12/70/183241270.db2.gz AIBVRLNMXJWLIX-GJZGRUSLSA-N 2 0 246.354 1.233 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@H]([NH2+]C)C2)CC1 ZINC000049557856 169186122 /nfs/dbraw/zinc/18/61/22/169186122.db2.gz ILEGOAYJWDOBPY-LBPRGKRZSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000049714173 169187130 /nfs/dbraw/zinc/18/71/30/169187130.db2.gz JZFPTSLTLRVNGP-OCCSQVGLSA-N 2 0 239.407 1.530 10 0 BDAERP CCCN1CC[NH+](C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070578420 169202659 /nfs/dbraw/zinc/20/26/59/169202659.db2.gz TZVUIZKMZRKXEH-ZIAGYGMSSA-N 2 0 239.407 1.532 10 0 BDAERP CCC[NH+]1CCN(C[C@](C)(CC)C[NH2+]C)CC1 ZINC000051207550 169203035 /nfs/dbraw/zinc/20/30/35/169203035.db2.gz OMTWOSZXUKCQAZ-CQSZACIVSA-N 2 0 241.423 1.650 10 0 BDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccncc2)CC1 ZINC000044419043 169204555 /nfs/dbraw/zinc/20/45/55/169204555.db2.gz JKQNHXCTWLHSFM-CQSZACIVSA-N 2 0 248.374 1.109 10 0 BDAERP CCC[NH2+]C[C@@H](C)CN1CCC([NH+](C)C)CC1 ZINC000052477581 169261179 /nfs/dbraw/zinc/26/11/79/169261179.db2.gz CTHGLTVICZJZEM-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000053031552 169262413 /nfs/dbraw/zinc/26/24/13/169262413.db2.gz RWKNWISHXYYHHB-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP CCC[NH2+]C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074063 169263658 /nfs/dbraw/zinc/26/36/58/169263658.db2.gz KBLZTBMOBHIGDX-KBPBESRZSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)CCC)nn1 ZINC000052444516 169269246 /nfs/dbraw/zinc/26/92/46/169269246.db2.gz HAARTBKNJILHOM-UHFFFAOYSA-N 2 0 239.367 1.120 10 0 BDAERP CCC[NH2+][C@@H](C)CN1CC[N@H+](C)[C@H](CC)C1 ZINC000082478000 169274948 /nfs/dbraw/zinc/27/49/48/169274948.db2.gz BUNBGMVQOCTYCO-QWHCGFSZSA-N 2 0 227.396 1.401 10 0 BDAERP CCC[C@@H](C)C[NH+]1CCN(C[C@@H](C)C[NH3+])CC1 ZINC000051297750 169358459 /nfs/dbraw/zinc/35/84/59/169358459.db2.gz ZAGONGYSJKKFCE-KGLIPLIRSA-N 2 0 241.423 1.635 10 0 BDAERP CCC[C@@H](C[NH2+]C1CCC([NH3+])CC1)OC ZINC000356337510 169384705 /nfs/dbraw/zinc/38/47/05/169384705.db2.gz PWXFNDWBLWIZKW-MCIGGMRASA-N 2 0 214.353 1.661 10 0 BDAERP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CCC(C[NH3+])CC1 ZINC000067172256 383911741 /nfs/dbraw/zinc/91/17/41/383911741.db2.gz MZBQCNOLQJOBNJ-ILDUYXDCSA-N 2 0 242.363 1.421 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000132999467 384219154 /nfs/dbraw/zinc/21/91/54/384219154.db2.gz OLWBVTNXHCLUPO-MCIONIFRSA-N 2 0 239.407 1.543 10 0 BDAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])c1ccncc1 ZINC000011848789 384622060 /nfs/dbraw/zinc/62/20/60/384622060.db2.gz AWEQSZVYSOTVMW-AWEZNQCLSA-N 2 0 244.342 1.493 10 0 BDAERP C[C@@H]([NH2+]CCOC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000564824696 384682674 /nfs/dbraw/zinc/68/26/74/384682674.db2.gz PUGUPOBOHVZACN-CHWSQXEVSA-N 2 0 240.391 1.923 10 0 BDAERP C[C@@H](C[NH2+]CC(C)(C)O)C[NH+]1CCCC1 ZINC000062071256 384758871 /nfs/dbraw/zinc/75/88/71/384758871.db2.gz JLAMVHLTPXHIBV-NSHDSACASA-N 2 0 214.353 1.079 10 0 BDAERP CCSCC[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000309054096 385385947 /nfs/dbraw/zinc/38/59/47/385385947.db2.gz SRFGFKFWZRBQFB-SECBINFHSA-N 2 0 225.361 1.610 10 0 BDAERP COC[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000397254889 385415224 /nfs/dbraw/zinc/41/52/24/385415224.db2.gz QQLGEFZSLOLMNT-TUAOUCFPSA-N 2 0 212.337 1.128 10 0 BDAERP CC[NH+](CC)Cc1cccnc1N1CC[NH2+]CC1 ZINC000253577413 385683579 /nfs/dbraw/zinc/68/35/79/385683579.db2.gz XAWHXDQRLRFLNL-UHFFFAOYSA-N 2 0 248.374 1.333 10 0 BDAERP c1[nH]nc([C@H]2CCC[NH2+]C2)c1C[NH+]1CCCC1 ZINC000216709883 385871346 /nfs/dbraw/zinc/87/13/46/385871346.db2.gz GRKOVEMOVFUWIV-NSHDSACASA-N 2 0 234.347 1.473 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000307165980 386009500 /nfs/dbraw/zinc/00/95/00/386009500.db2.gz NTXMRULNTZMFBG-VIFPVBQESA-N 2 0 200.351 1.222 10 0 BDAERP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCSC1 ZINC000051889928 386576157 /nfs/dbraw/zinc/57/61/57/386576157.db2.gz WDEVTXFLMOBNIE-NXEZZACHSA-N 2 0 200.351 1.033 10 0 BDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]([NH3+])C2)CS1 ZINC000306895520 386533341 /nfs/dbraw/zinc/53/33/41/386533341.db2.gz MYAKUJJMFBMGIW-KATARQTJSA-N 2 0 200.351 1.350 10 0 BDAERP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1F ZINC000398372944 386817939 /nfs/dbraw/zinc/81/79/39/386817939.db2.gz PQGCGIHSPNWTIS-GFCCVEGCSA-N 2 0 222.307 1.833 10 0 BDAERP CC(=O)Nc1ccc([C@@H]([NH3+])CCC[NH3+])cc1 ZINC000575438153 387104819 /nfs/dbraw/zinc/10/48/19/387104819.db2.gz DILBNDSGWCKAKR-LBPRGKRZSA-N 2 0 221.304 1.384 10 0 BDAERP COc1c(F)cccc1[C@H]([NH3+])CCC[NH3+] ZINC000575439928 387126505 /nfs/dbraw/zinc/12/65/05/387126505.db2.gz OPWKSSPSEQVQSP-SNVBAGLBSA-N 2 0 212.268 1.573 10 0 BDAERP COc1ccc(F)cc1[C@H]([NH3+])CCCC[NH3+] ZINC000575440291 387127129 /nfs/dbraw/zinc/12/71/29/387127129.db2.gz ZSCMCBDGHKTTLS-LLVKDONJSA-N 2 0 226.295 1.963 10 0 BDAERP COc1ccc(F)c([C@@H]([NH3+])CCC[NH3+])c1F ZINC000575438302 387128581 /nfs/dbraw/zinc/12/85/81/387128581.db2.gz ICCSWJNNPNUPNF-QMMMGPOBSA-N 2 0 230.258 1.712 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCS2)[C@H]1C ZINC000575585804 387146491 /nfs/dbraw/zinc/14/64/91/387146491.db2.gz XMJQOFIOHQIRLF-UTLUCORTSA-N 2 0 200.351 1.032 10 0 BDAERP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000400578351 387136591 /nfs/dbraw/zinc/13/65/91/387136591.db2.gz PRVYCXAZVJTPIO-SDDRHHMPSA-N 2 0 225.380 1.057 10 0 BDAERP C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000400578353 387137229 /nfs/dbraw/zinc/13/72/29/387137229.db2.gz PRVYCXAZVJTPIO-WOPDTQHZSA-N 2 0 225.380 1.057 10 0 BDAERP C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400595656 387198529 /nfs/dbraw/zinc/19/85/29/387198529.db2.gz VMNRLMSGUMZSRQ-OLZOCXBDSA-N 2 0 225.380 1.060 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000259218462 387302778 /nfs/dbraw/zinc/30/27/78/387302778.db2.gz GSNSCNOKGYJQPP-SECBINFHSA-N 2 0 247.111 1.937 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000259453143 387303301 /nfs/dbraw/zinc/30/33/01/387303301.db2.gz QNTAUXPCWWQBAM-VIFPVBQESA-N 2 0 202.660 1.828 10 0 BDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CSC1(C)C ZINC000393881118 259714368 /nfs/dbraw/zinc/71/43/68/259714368.db2.gz LRGSEFCWWVLZAN-ZJUUUORDSA-N 2 0 216.394 1.988 10 0 BDAERP CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643472665 387485622 /nfs/dbraw/zinc/48/56/22/387485622.db2.gz TXNMMCAGAVSNQP-TUAOUCFPSA-N 2 0 214.353 1.125 10 0 BDAERP CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643472664 387485833 /nfs/dbraw/zinc/48/58/33/387485833.db2.gz TXNMMCAGAVSNQP-SRVKXCTJSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643473983 387488608 /nfs/dbraw/zinc/48/86/08/387488608.db2.gz JTXUPTGKAKPDSH-CFVMTHIKSA-N 2 0 248.370 1.698 10 0 BDAERP CCC1(O)CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000643474205 387489057 /nfs/dbraw/zinc/48/90/57/387489057.db2.gz ONKITILDVBEBJQ-UHFFFAOYSA-N 2 0 240.391 1.930 10 0 BDAERP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124045673 387601950 /nfs/dbraw/zinc/60/19/50/387601950.db2.gz IPBXABXIZGPSES-CHWSQXEVSA-N 2 0 236.363 1.264 10 0 BDAERP CC[NH+](CC)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000119656376 387555656 /nfs/dbraw/zinc/55/56/56/387555656.db2.gz VGHWQMZJUYDPCV-UONOGXRCSA-N 2 0 239.407 1.497 10 0 BDAERP CS[C@@H]1CC[C@H]1N1CCC[NH2+]CC1 ZINC000575548362 387645060 /nfs/dbraw/zinc/64/50/60/387645060.db2.gz CXJVEWXICQFEPO-NXEZZACHSA-N 2 0 200.351 1.176 10 0 BDAERP CS[C@H]1CC[C@@H]1N1CCC[NH2+]CC1 ZINC000575548363 387645433 /nfs/dbraw/zinc/64/54/33/387645433.db2.gz CXJVEWXICQFEPO-UWVGGRQHSA-N 2 0 200.351 1.176 10 0 BDAERP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000422839622 387729783 /nfs/dbraw/zinc/72/97/83/387729783.db2.gz QWVWDGJRQDMABL-HZSPNIEDSA-N 2 0 239.407 1.591 10 0 BDAERP C[C@@H](CN[C@@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129242381 387766090 /nfs/dbraw/zinc/76/60/90/387766090.db2.gz JTFSAXRPFLLPIT-UONOGXRCSA-N 2 0 239.407 1.450 10 0 BDAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151335629 387822886 /nfs/dbraw/zinc/82/28/86/387822886.db2.gz WRJXXCWFZBAVHW-KBPBESRZSA-N 2 0 240.391 1.611 10 0 BDAERP C[C@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)O1 ZINC000193606371 387859907 /nfs/dbraw/zinc/85/99/07/387859907.db2.gz BGXOKFMKDHJIEB-RVMXOQNASA-N 2 0 224.348 1.047 10 0 BDAERP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[NH2+]CC2)C1 ZINC000422970541 387818358 /nfs/dbraw/zinc/81/83/58/387818358.db2.gz GQUNWLWCSYYIGC-ZIAGYGMSSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@@H]1CC(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000423108524 387893982 /nfs/dbraw/zinc/89/39/82/387893982.db2.gz TXIOGSBDYPXXRR-MHDGFBEUSA-N 2 0 240.391 1.907 10 0 BDAERP C[C@@H]1CC(C[NH2+][C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000423099732 387887403 /nfs/dbraw/zinc/88/74/03/387887403.db2.gz MJUWCPNVUQCREF-BZPMIXESSA-N 2 0 240.391 1.922 10 0 BDAERP Cc1cc(C)c(C[NH3+])c(N(C)CC[NH+](C)C)n1 ZINC000104187810 177857031 /nfs/dbraw/zinc/85/70/31/177857031.db2.gz YSSCJXSMEOHNTO-UHFFFAOYSA-N 2 0 236.363 1.155 10 0 BDAERP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643480775 387943171 /nfs/dbraw/zinc/94/31/71/387943171.db2.gz FFLQMZPUPRSJNR-VXGBXAGGSA-N 2 0 214.353 1.389 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC[N@@H+]1C ZINC000156374349 387964392 /nfs/dbraw/zinc/96/43/92/387964392.db2.gz FVDNQNUPZUIZCM-RQJABVFESA-N 2 0 240.391 1.610 10 0 BDAERP C[C@H](O)CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086501101 388103611 /nfs/dbraw/zinc/10/36/11/388103611.db2.gz QGTCGHSVMQFRPD-AVGNSLFASA-N 2 0 228.380 1.658 10 0 BDAERP CC[NH+](CC)CCC[C@@H](C)N[C@@H]1CC[NH2+]C1 ZINC000086724706 388107469 /nfs/dbraw/zinc/10/74/69/388107469.db2.gz SLKNLMABKPWFTA-CHWSQXEVSA-N 2 0 227.396 1.448 10 0 BDAERP CO[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCC2 ZINC000308397032 388398790 /nfs/dbraw/zinc/39/87/90/388398790.db2.gz RBNMBEXQTHNVTM-FIYWTHMPSA-N 2 0 238.375 1.804 10 0 BDAERP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+](C)C ZINC000336720619 388469273 /nfs/dbraw/zinc/46/92/73/388469273.db2.gz SFPHKMCQZDSLDO-XQHKEYJVSA-N 2 0 240.391 1.587 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CS1 ZINC000307367267 388423829 /nfs/dbraw/zinc/42/38/29/388423829.db2.gz MTAAWOVLSLMSNZ-GMTAPVOTSA-N 2 0 214.378 1.612 10 0 BDAERP C[C@H](c1cccnc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841055 388605008 /nfs/dbraw/zinc/60/50/08/388605008.db2.gz XNCBJRYFVSRNOG-WZRBSPASSA-N 2 0 219.332 1.669 10 0 BDAERP CO[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C(C)C ZINC000362976661 388563342 /nfs/dbraw/zinc/56/33/42/388563342.db2.gz LERHOPVIAWVKNY-NWDGAFQWSA-N 2 0 214.353 1.389 10 0 BDAERP COc1cc([C@@H]([NH3+])CCCC[NH3+])ccc1F ZINC000575439694 388629035 /nfs/dbraw/zinc/62/90/35/388629035.db2.gz XMIUDSJYGUEINR-NSHDSACASA-N 2 0 226.295 1.963 10 0 BDAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000530224063 388634059 /nfs/dbraw/zinc/63/40/59/388634059.db2.gz KTGOZCGHEPYNLK-DDLZEHJASA-N 2 0 226.364 1.658 10 0 BDAERP CSCCCC[NH2+]C1CCC([NH3+])CC1 ZINC000229214419 388783319 /nfs/dbraw/zinc/78/33/19/388783319.db2.gz XOEDGPPHCWNYSC-UHFFFAOYSA-N 2 0 216.394 1.989 10 0 BDAERP CC[NH+]1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000019872692 132328565 /nfs/dbraw/zinc/32/85/65/132328565.db2.gz LGRFNPWZCGRCOB-GFCCVEGCSA-N 2 0 233.359 1.848 10 0 BDAERP CC(C)[N@H+](C)CCC[NH2+]C1CCC([NH3+])CC1 ZINC000226340577 134360788 /nfs/dbraw/zinc/36/07/88/134360788.db2.gz VLHGMRXHXFBCEJ-UHFFFAOYSA-N 3 0 227.396 1.576 10 0 BDAERP C[NH+]1CCC(C)(C[NH2+]CC2CCOCC2)CC1 ZINC000227326991 134377872 /nfs/dbraw/zinc/37/78/72/134377872.db2.gz CQAMCBDEMWNEMZ-UHFFFAOYSA-N 2 0 240.391 1.735 10 0 BDAERP CC(C)C[C@H]([NH3+])CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000251824881 135082494 /nfs/dbraw/zinc/08/24/94/135082494.db2.gz PDZDUOCVKGKLNC-MELADBBJSA-N 2 0 239.407 1.528 10 0 BDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC[NH+](C)C ZINC000252660685 135094219 /nfs/dbraw/zinc/09/42/19/135094219.db2.gz BYFDFENOWKMFSE-KBPBESRZSA-N 2 0 239.407 1.497 10 0 BDAERP CC1(C)C[N@H+](C[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261535936 135170265 /nfs/dbraw/zinc/17/02/65/135170265.db2.gz PSYRUYYZQBUXTL-QWRGUYRKSA-N 2 0 212.337 1.082 10 0 BDAERP CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000261536819 135173146 /nfs/dbraw/zinc/17/31/46/135173146.db2.gz TUZZSACGNHGNGW-NEPJUHHUSA-N 2 0 208.349 1.718 10 0 BDAERP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1[NH3+] 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212.337 1.020 10 0 BDAERP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCCO1 ZINC000393752167 410757017 /nfs/dbraw/zinc/75/70/17/410757017.db2.gz XDVOTZFNLRQKMT-RYUDHWBXSA-N 2 0 214.353 1.663 10 0 BDAERP CC[C@@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809191 410893672 /nfs/dbraw/zinc/89/36/72/410893672.db2.gz UFVIRDAWUUETSN-CHWSQXEVSA-N 2 0 249.358 1.143 10 0 BDAERP CC(C)NC(=[NH2+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062985236 167035685 /nfs/dbraw/zinc/03/56/85/167035685.db2.gz FAEFVMJCHQCDAM-LBPRGKRZSA-N 2 0 238.379 1.479 10 0 BDAERP CC(C)[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCC1 ZINC000061711817 167100086 /nfs/dbraw/zinc/10/00/86/167100086.db2.gz BLVGFSRIYOEVRE-ZDUSSCGKSA-N 2 0 240.391 1.611 10 0 BDAERP CC(C)[NH2+]CCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940640 167101940 /nfs/dbraw/zinc/10/19/40/167101940.db2.gz NXZQUBHIMWZEJN-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP CC(C)[NH2+]CCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062967731 167102012 /nfs/dbraw/zinc/10/20/12/167102012.db2.gz XLHWBERVYSETLB-CQSZACIVSA-N 2 0 239.407 1.545 10 0 BDAERP CC(C)[NH2+]C[C@@H]1CCCCN1CC[NH+](C)C ZINC000053651648 167111862 /nfs/dbraw/zinc/11/18/62/167111862.db2.gz VOYZJDSUQADLBO-ZDUSSCGKSA-N 2 0 227.396 1.401 10 0 BDAERP CC(C)[NH2+]C[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000053031037 167115593 /nfs/dbraw/zinc/11/55/93/167115593.db2.gz ZQXRVKXVOOJHFB-CYBMUJFWSA-N 2 0 239.407 1.401 10 0 BDAERP CC(C)[NH2+]Cc1ccc(OCC[NH3+])cc1 ZINC000041217933 167118543 /nfs/dbraw/zinc/11/85/43/167118543.db2.gz DROFDGQXBMTEBF-UHFFFAOYSA-N 2 0 208.305 1.522 10 0 BDAERP CC[NH+](CC)CCc1noc(C[C@@H](C)[NH2+]C)n1 ZINC000104051342 169783877 /nfs/dbraw/zinc/78/38/77/169783877.db2.gz JAWCIFDUZRTZAN-SNVBAGLBSA-N 2 0 240.351 1.104 10 0 BDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000400927032 411163524 /nfs/dbraw/zinc/16/35/24/411163524.db2.gz HQBNZOWPOCXKLO-RKQHYHRCSA-N 2 0 238.375 1.268 10 0 BDAERP CC(C)C[C@H]([NH3+])c1noc(C[C@@H](C)[NH3+])n1 ZINC000309499023 411151152 /nfs/dbraw/zinc/15/11/52/411151152.db2.gz ULTNFBCHDNHHEE-SFYZADRCSA-N 2 0 212.297 1.005 10 0 BDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000653776978 411167009 /nfs/dbraw/zinc/16/70/09/411167009.db2.gz GRFRIMGAOIQHOG-UMSGYPCISA-N 2 0 226.364 1.077 10 0 BDAERP CC1CC[NH+](C[C@]2(C[NH3+])CCOC2)CC1 ZINC000051207827 168182803 /nfs/dbraw/zinc/18/28/03/168182803.db2.gz VOHYJLJHNNPRKT-GFCCVEGCSA-N 2 0 212.337 1.084 10 0 BDAERP CC[NH+]1CCC(N(C)C[C@@](C)([NH3+])C2CC2)CC1 ZINC000042689476 169951563 /nfs/dbraw/zinc/95/15/63/169951563.db2.gz WYURJSGQMPXRPX-CQSZACIVSA-N 2 0 239.407 1.530 10 0 BDAERP Cc1ncc(C[NH2+][C@H]2CCC[C@H](O)C2)n1C ZINC000657326635 411466361 /nfs/dbraw/zinc/46/63/61/411466361.db2.gz QSHTYJJVYTUNRM-JQWIXIFHSA-N 2 0 223.320 1.122 10 0 BDAERP CC[N@@H+]1CCc2nc([C@H](C)C[NH3+])sc2C1 ZINC000054158358 170024874 /nfs/dbraw/zinc/02/48/74/170024874.db2.gz FWKZXXYWKMTXEE-MRVPVSSYSA-N 2 0 225.361 1.583 10 0 BDAERP CC[NH2+]CC1(C[N@H+](CCO)C2CC2)CCCC1 ZINC000051284938 170110593 /nfs/dbraw/zinc/11/05/93/170110593.db2.gz VTZFLRQTOORUGP-UHFFFAOYSA-N 2 0 240.391 1.613 10 0 BDAERP CC[NH2+]C[C@@H]1CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000053031550 170120256 /nfs/dbraw/zinc/12/02/56/170120256.db2.gz YISYBFAIBZHMCQ-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371224 170120794 /nfs/dbraw/zinc/12/07/94/170120794.db2.gz NRPCRVNPYFOASW-CQSZACIVSA-N 2 0 239.407 1.401 10 0 BDAERP CC[NH2+]C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598709 170121876 /nfs/dbraw/zinc/12/18/76/170121876.db2.gz SQUDYMVLLXOWPL-GJZGRUSLSA-N 2 0 248.370 1.446 10 0 BDAERP CC[NH2+]C[C@H]1CCN(CC(C)(C)C[NH+](C)C)C1 ZINC000053010830 170122572 /nfs/dbraw/zinc/12/25/72/170122572.db2.gz WSHVXFWGUATMMG-CYBMUJFWSA-N 2 0 241.423 1.506 10 0 BDAERP CC[NH2+]C[C@H]1CCN([C@@H](C)C[NH+]2CCCC2)C1 ZINC000053031869 170122745 /nfs/dbraw/zinc/12/27/45/170122745.db2.gz UNKOYCMUCQBJIX-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+]C[C@]1(C[N@H+](CC)CC(C)C)CCOC1 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CCOC(=O)[C@H](C)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104143650 170264160 /nfs/dbraw/zinc/26/41/60/170264160.db2.gz SQZXDIBNXJHCGT-MNOVXSKESA-N 2 0 242.363 1.245 10 0 BDAERP CCOCC[N@H+](CC)Cc1cccnc1C[NH3+] ZINC000104191944 170395676 /nfs/dbraw/zinc/39/56/76/170395676.db2.gz ZJCLXQMLEZLHQR-UHFFFAOYSA-N 2 0 237.347 1.399 10 0 BDAERP CC[C@@H]1CSC(N[C@H]2CCC[N@H+](CC)C2)=[NH+]1 ZINC000049221514 171114797 /nfs/dbraw/zinc/11/47/97/171114797.db2.gz BUGAKAOSEVKFBN-MNOVXSKESA-N 2 0 241.404 1.942 10 0 BDAERP [NH3+]C1CCC([NH2+]CCc2ccoc2)CC1 ZINC000665263601 412208148 /nfs/dbraw/zinc/20/81/48/412208148.db2.gz PYKIXZGTKSTMAH-UHFFFAOYSA-N 2 0 208.305 1.682 10 0 BDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCCC1 ZINC000310326571 487624269 /nfs/dbraw/zinc/62/42/69/487624269.db2.gz ARPKKOXWZYXYDQ-OCCSQVGLSA-N 2 0 242.407 1.856 10 0 BDAERP C[NH+](C)CCCNCC[NH+]1CCCCCC1 ZINC000041248844 172441456 /nfs/dbraw/zinc/44/14/56/172441456.db2.gz KSZAJXWWYZQGPK-UHFFFAOYSA-N 2 0 227.396 1.404 10 0 BDAERP 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C[NH+]1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020071639 173085549 /nfs/dbraw/zinc/08/55/49/173085549.db2.gz GUGFNCQPNWDBLN-IHRRRGAJSA-N 2 0 237.391 1.155 10 0 BDAERP C[NH+]1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000020270315 173094012 /nfs/dbraw/zinc/09/40/12/173094012.db2.gz SDPBUMYTWCTSLF-AWEZNQCLSA-N 2 0 231.343 1.078 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000037484582 173114027 /nfs/dbraw/zinc/11/40/27/173114027.db2.gz NAKWAEXAEZIFHO-LBPRGKRZSA-N 2 0 222.307 1.867 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000037484645 173118251 /nfs/dbraw/zinc/11/82/51/173118251.db2.gz ANVSYDBDWAVSLZ-LBPRGKRZSA-N 2 0 205.305 1.123 10 0 BDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])C1CCCC1 ZINC000071188366 173142519 /nfs/dbraw/zinc/14/25/19/173142519.db2.gz FAKXZEFAZHFVII-JSGCOSHPSA-N 2 0 239.407 1.387 10 0 BDAERP C[N@@H+]1CC[C@H](n2c(N)[nH+]c3cc(F)ccc32)C1 ZINC000042548506 173157870 /nfs/dbraw/zinc/15/78/70/173157870.db2.gz ZBLJVSTTXOBIMW-VIFPVBQESA-N 2 0 234.278 1.634 10 0 BDAERP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCC[C@@H]3O)C2)C1 ZINC000310464746 173166651 /nfs/dbraw/zinc/16/66/51/173166651.db2.gz ZAIUNIFATQGSIC-IHRRRGAJSA-N 2 0 238.375 1.318 10 0 BDAERP C[NH2+]C(C)(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000061300050 173318541 /nfs/dbraw/zinc/31/85/41/173318541.db2.gz WCOVYNMUKICMEZ-UHFFFAOYSA-N 2 0 243.395 1.219 10 0 BDAERP C[NH2+]CC(C)(C)CN(C)CC[NH+]1CCCC1 ZINC000063053579 173336816 /nfs/dbraw/zinc/33/68/16/173336816.db2.gz MFSCLDFFZUFREX-UHFFFAOYSA-N 2 0 227.396 1.260 10 0 BDAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180461 173337353 /nfs/dbraw/zinc/33/73/53/173337353.db2.gz XCCBMCOCWKGERK-GFCCVEGCSA-N 2 0 226.364 1.487 10 0 BDAERP C[NH2+]CC1(C[NH+]2CCCCC2)CCOCC1 ZINC000052180901 173337392 /nfs/dbraw/zinc/33/73/92/173337392.db2.gz ZMTOJOOQTFCPTO-UHFFFAOYSA-N 2 0 226.364 1.489 10 0 BDAERP C[NH2+]CC1(CN2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000062969941 173337811 /nfs/dbraw/zinc/33/78/11/173337811.db2.gz HNTRALYQHBVXPZ-ZDUSSCGKSA-N 2 0 239.407 1.402 10 0 BDAERP C[NH2+]CC1(C[N@H+](C)C[C@H]2C[C@@H]2C)CCOCC1 ZINC000104426970 173337860 /nfs/dbraw/zinc/33/78/60/173337860.db2.gz VTQKSXHILCSAMH-QWHCGFSZSA-N 2 0 240.391 1.590 10 0 BDAERP C[NH2+]CCC[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055082911 173349949 /nfs/dbraw/zinc/34/99/49/173349949.db2.gz KUEDQGVGRSJYTO-CQSZACIVSA-N 2 0 241.423 1.648 10 0 BDAERP C[NH2+]C[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000040591865 173368263 /nfs/dbraw/zinc/36/82/63/173368263.db2.gz UIIDTAQZXSJCRP-LBPRGKRZSA-N 2 0 225.380 1.012 10 0 BDAERP C[NH2+]C[C@@H]1Cc2ccccc2CN1CC[NH+](C)C ZINC000051860108 173372636 /nfs/dbraw/zinc/37/26/36/173372636.db2.gz OZXXNWSIMCBQMT-HNNXBMFYSA-N 2 0 247.386 1.194 10 0 BDAERP C[NH2+]C[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000049328865 173379138 /nfs/dbraw/zinc/37/91/38/173379138.db2.gz QTMQGLHERVDOEL-CYBMUJFWSA-N 2 0 236.363 1.205 10 0 BDAERP C[NH2+]C[C@H]1Cc2ccccc2CN1CC[NH+](C)C ZINC000051860109 173383125 /nfs/dbraw/zinc/38/31/25/173383125.db2.gz OZXXNWSIMCBQMT-OAHLLOKOSA-N 2 0 247.386 1.194 10 0 BDAERP C[NH2+]Cc1cc(OCC[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000051549407 173387246 /nfs/dbraw/zinc/38/72/46/173387246.db2.gz JJVOVTDTUZNRPV-ZDUSSCGKSA-N 2 0 249.358 1.664 10 0 BDAERP C[NH2+]Cc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000019777054 173388989 /nfs/dbraw/zinc/38/89/89/173388989.db2.gz YEWGJARWKXHQSF-UHFFFAOYSA-N 2 0 238.331 1.355 10 0 BDAERP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000037758703 173390787 /nfs/dbraw/zinc/39/07/87/173390787.db2.gz WPCQFVQXJATLIO-GFCCVEGCSA-N 2 0 247.342 1.296 10 0 BDAERP C[NH2+]Cc1ccoc1CN1CC[C@H]([NH+](C)C)C1 ZINC000062971577 173391459 /nfs/dbraw/zinc/39/14/59/173391459.db2.gz ZLVHTANHCSLTNV-LBPRGKRZSA-N 2 0 237.347 1.135 10 0 BDAERP COCC[N@H+](CCC[NH3+])Cc1ccccc1C ZINC000071225097 174291251 /nfs/dbraw/zinc/29/12/51/174291251.db2.gz SUBXJYSCXBFWNM-UHFFFAOYSA-N 2 0 236.359 1.792 10 0 BDAERP COc1cccc(C[NH3+])c1OCCC[NH+](C)C ZINC000011887993 175257187 /nfs/dbraw/zinc/25/71/87/175257187.db2.gz ZMBZPZOQNZOFCT-UHFFFAOYSA-N 2 0 238.331 1.484 10 0 BDAERP COc1cccc(C[C@H](C[NH3+])C[NH+]2CCCC2)c1 ZINC000011800178 175271334 /nfs/dbraw/zinc/27/13/34/175271334.db2.gz JXJQBAJAEURMJY-CQSZACIVSA-N 2 0 248.370 1.908 10 0 BDAERP COc1ccccc1C[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042441504 175324740 /nfs/dbraw/zinc/32/47/40/175324740.db2.gz KVFBNVVHHBUMAG-NSHDSACASA-N 2 0 222.332 1.722 10 0 BDAERP C[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000023067595 176011854 /nfs/dbraw/zinc/01/18/54/176011854.db2.gz DAUIOMAYSRHNCU-JSGCOSHPSA-N 2 0 233.359 1.322 10 0 BDAERP C[C@@H](c1nccs1)N1CCC[C@@H](C[NH3+])C1 ZINC000100256862 176039725 /nfs/dbraw/zinc/03/97/25/176039725.db2.gz VNCJIMQMOZVXLJ-UWVGGRQHSA-N 2 0 225.361 1.875 10 0 BDAERP C[C@@H]1CCCC[C@@]1(CO)[N@@H+]1CCC[NH2+]CC1 ZINC000038117155 176083944 /nfs/dbraw/zinc/08/39/44/176083944.db2.gz LSGWHPNZUDXHFK-OLZOCXBDSA-N 2 0 226.364 1.223 10 0 BDAERP C[C@@H]1C[C@@H](C)C[NH+](CCOC2CC[NH2+]CC2)C1 ZINC000104386814 176360584 /nfs/dbraw/zinc/36/05/84/176360584.db2.gz JHIKVTOEOWDNHD-CHWSQXEVSA-N 2 0 240.391 1.733 10 0 BDAERP C[C@@H]1C[C@@H](C)CN(C2(C[NH3+])CC[NH+](C)CC2)C1 ZINC000019506685 176361063 /nfs/dbraw/zinc/36/10/63/176361063.db2.gz DTDOPTQJZFCQTQ-CHWSQXEVSA-N 2 0 239.407 1.387 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccco1 ZINC000049713511 176371769 /nfs/dbraw/zinc/37/17/69/176371769.db2.gz XWEXJWSWUAWTBN-MNOVXSKESA-N 2 0 208.305 1.634 10 0 BDAERP C[C@H](C[NH+]1CCCC1)NC1=[NH+]C[C@@H](C)S1 ZINC000049185287 176664914 /nfs/dbraw/zinc/66/49/14/176664914.db2.gz ZUPXVEGPVKJFMM-NXEZZACHSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@H]([C@@H]([NH3+])c1ccccc1)N(C)CC[NH+](C)C ZINC000104200779 177030699 /nfs/dbraw/zinc/03/06/99/177030699.db2.gz KWKZKNVVICXAEI-TZMCWYRMSA-N 2 0 235.375 1.568 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCCNCC[NH+](C)C ZINC000020047847 177074513 /nfs/dbraw/zinc/07/45/13/177074513.db2.gz WFZLNRHTTHZHNK-ZDUSSCGKSA-N 2 0 227.396 1.402 10 0 BDAERP C[C@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](C)CC1 ZINC000019435308 177085196 /nfs/dbraw/zinc/08/51/96/177085196.db2.gz FAZWFZCWQAGAJL-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP C[C@H]1CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)C1 ZINC000038117166 177127429 /nfs/dbraw/zinc/12/74/29/177127429.db2.gz NDPXRTUBVKDYQV-QWHCGFSZSA-N 2 0 226.364 1.223 10 0 BDAERP C[C@H]1C[NH2+]CCC[N@@H+](C2CCOCC2)C1 ZINC000049666383 177281660 /nfs/dbraw/zinc/28/16/60/177281660.db2.gz LOLIJQXZFZVTTO-NSHDSACASA-N 2 0 212.337 1.097 10 0 BDAERP C[C@H]1CSC(NC[C@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000044538332 177302917 /nfs/dbraw/zinc/30/29/17/177302917.db2.gz LHHKXIFFQPXGAT-VHSXEESVSA-N 2 0 227.377 1.409 10 0 BDAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000044518812 177326511 /nfs/dbraw/zinc/32/65/11/177326511.db2.gz CQDAQLZPHNAMQF-AAEUAGOBSA-N 3 0 225.380 1.140 10 0 BDAERP C[C@H]([NH2+]C[C@]1(C)CCCS1)[C@@H]1CC[NH2+]C1 ZINC000400339385 226341015 /nfs/dbraw/zinc/34/10/15/226341015.db2.gz GIGYJWNHSPQSET-TUAOUCFPSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]1CC[NH2+]C1 ZINC000400393495 226342745 /nfs/dbraw/zinc/34/27/45/226342745.db2.gz JLGMDVFPDYOFMB-GHMZBOCLSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400560228 226346363 /nfs/dbraw/zinc/34/63/63/226346363.db2.gz HOZHGRVIBKGHKH-SRVKXCTJSA-N 2 0 228.380 1.371 10 0 BDAERP C[NH+](C)CC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000042396099 487739485 /nfs/dbraw/zinc/73/94/85/487739485.db2.gz OUIITPVLHIPBRV-CHWSQXEVSA-N 2 0 226.364 1.173 10 0 BDAERP C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000082666770 487862558 /nfs/dbraw/zinc/86/25/58/487862558.db2.gz QRZPYRYCLKTNFE-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400810474 533698058 /nfs/dbraw/zinc/69/80/58/533698058.db2.gz YALXXJKOLFGHAR-DGCLKSJQSA-N 2 0 234.343 1.783 10 0 BDAERP C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000570515671 323061559 /nfs/dbraw/zinc/06/15/59/323061559.db2.gz NROIECFBRJLLSK-RWMBFGLXSA-N 2 0 226.364 1.079 10 0 BDAERP CCC(O)(CC)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571312874 323141023 /nfs/dbraw/zinc/14/10/23/323141023.db2.gz IUXBFVPQJPMTHM-NWDGAFQWSA-N 2 0 228.380 1.515 10 0 BDAERP c1cnc2c(c1)cccc2C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398420547 323185636 /nfs/dbraw/zinc/18/56/36/323185636.db2.gz YGAGOXOFMSAKIG-LBPRGKRZSA-N 2 0 241.338 1.934 10 0 BDAERP C[C@H]1CC[C@H](O)C[N@@H+]1CCCn1ccnc1 ZINC000399303306 323203472 /nfs/dbraw/zinc/20/34/72/323203472.db2.gz XZWCEWHHJCOVRZ-RYUDHWBXSA-N 2 0 223.320 1.118 10 0 BDAERP CCC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000565769206 325953694 /nfs/dbraw/zinc/95/36/94/325953694.db2.gz QUPCGDVJTGLLLK-MJBXVCDLSA-N 2 0 242.407 1.763 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000566732239 326076801 /nfs/dbraw/zinc/07/68/01/326076801.db2.gz LIQXWTIHPMPEHH-MCIONIFRSA-N 2 0 239.407 1.448 10 0 BDAERP CCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404887367 326102039 /nfs/dbraw/zinc/10/20/39/326102039.db2.gz NHQRKYLZTBNVRT-RYUDHWBXSA-N 2 0 241.379 1.057 10 0 BDAERP C[C@@H]([NH2+]CCCn1cccn1)[C@H]1CCC[NH2+]C1 ZINC000567603949 326226653 /nfs/dbraw/zinc/22/66/53/326226653.db2.gz DAFYOIOUQAEGPK-OLZOCXBDSA-N 2 0 236.363 1.251 10 0 BDAERP C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CCC[NH2+]C1 ZINC000567647037 326237854 /nfs/dbraw/zinc/23/78/54/326237854.db2.gz NCTRAJOBPGBROM-QWRGUYRKSA-N 2 0 214.353 1.125 10 0 BDAERP CCC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000400756223 487986254 /nfs/dbraw/zinc/98/62/54/487986254.db2.gz XAMYSXOPQAWTNH-XQQFMLRXSA-N 2 0 225.380 1.058 10 0 BDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000084220321 488038550 /nfs/dbraw/zinc/03/85/50/488038550.db2.gz DEOZPXZMRLMUES-SRVKXCTJSA-N 2 0 212.337 1.273 10 0 BDAERP Cc1cccc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000415108324 488084020 /nfs/dbraw/zinc/08/40/20/488084020.db2.gz PWQZQVGFHDRREY-OLZOCXBDSA-N 2 0 233.359 1.520 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC(C)(C)[NH3+] ZINC000092629569 488099219 /nfs/dbraw/zinc/09/92/19/488099219.db2.gz PKKRGZPIEQONOH-NSHDSACASA-N 2 0 241.379 1.057 10 0 BDAERP Cc1nnsc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000309734309 487479313 /nfs/dbraw/zinc/47/93/13/487479313.db2.gz FZVKELAEXKKMJX-JTQLQIEISA-N 2 0 240.376 1.420 10 0 BDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC3CC=CC3)C[C@@H]12 ZINC000662266477 487502420 /nfs/dbraw/zinc/50/24/20/487502420.db2.gz MFMSNEHIPHBSIS-YNEHKIRRSA-N 2 0 206.333 1.622 10 0 BDAERP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000169816015 487508337 /nfs/dbraw/zinc/50/83/37/487508337.db2.gz VKTZGTKLUHEPGE-NSHDSACASA-N 2 0 233.315 1.083 10 0 BDAERP CC(C)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304507659 487508801 /nfs/dbraw/zinc/50/88/01/487508801.db2.gz DBWWZNDKKOHXQP-OLZOCXBDSA-N 2 0 225.380 1.010 10 0 BDAERP CO[C@@H](C[NH2+]C1CC[NH2+]CC1)C1CCCCC1 ZINC000665283057 490096378 /nfs/dbraw/zinc/09/63/78/490096378.db2.gz GQCNNPODBVWYPR-AWEZNQCLSA-N 2 0 240.391 1.923 10 0 BDAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nccn1C ZINC000070008249 490194447 /nfs/dbraw/zinc/19/44/47/490194447.db2.gz TUYDACBJPIHZJQ-KPPDAEKUSA-N 2 0 222.336 1.341 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@@H+]1C ZINC000303392601 491114924 /nfs/dbraw/zinc/11/49/24/491114924.db2.gz CVOBEPYWGUCVMW-GRYCIOLGSA-N 2 0 228.380 1.466 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757138686 582518544 /nfs/dbraw/zinc/51/85/44/582518544.db2.gz DFDXIDWDRACKCA-NEPJUHHUSA-N 2 0 224.348 1.587 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757143774 582524096 /nfs/dbraw/zinc/52/40/96/582524096.db2.gz FHIJTIQPWQTGND-LBPRGKRZSA-N 2 0 212.337 1.587 10 0 BDAERP CC[C@]1(C)CCO[C@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757146325 582529864 /nfs/dbraw/zinc/52/98/64/582529864.db2.gz KOOCTDPSEOUFND-OLZOCXBDSA-N 2 0 226.364 1.977 10 0 BDAERP C[C@H]1OC2(CC[NH+](C)CC2)[NH2+]CC1(C)C ZINC000757153048 582536954 /nfs/dbraw/zinc/53/69/54/582536954.db2.gz VXKNYAVTLAACRP-SNVBAGLBSA-N 2 0 212.337 1.443 10 0 BDAERP C[C@H]([NH2+]CCOC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400515083 533859956 /nfs/dbraw/zinc/85/99/56/533859956.db2.gz KGTBDKLFZVKRSR-RYUDHWBXSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCCS1)[C@H]1CC[NH2+]C1 ZINC000400341726 533881246 /nfs/dbraw/zinc/88/12/46/533881246.db2.gz GWQIJGXDNHTFLF-SRVKXCTJSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CC[NH2+]C1 ZINC000400422388 533908632 /nfs/dbraw/zinc/90/86/32/533908632.db2.gz XJIHDSXURSAFAA-WRWGMCAJSA-N 2 0 212.337 1.142 10 0 BDAERP [NH3+]C[C@H]1CCNc2[nH+]c3c(n21)CCCC3 ZINC000236251806 582642939 /nfs/dbraw/zinc/64/29/39/582642939.db2.gz VJOPIZPEIQQXQW-MRVPVSSYSA-N 2 0 206.293 1.077 10 0 BDAERP CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C[C@H]1C ZINC000252475103 519863576 /nfs/dbraw/zinc/86/35/76/519863576.db2.gz SQJDAGSKCKFRLK-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP CC(C)CCOCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400743778 527760139 /nfs/dbraw/zinc/76/01/39/527760139.db2.gz UENXTLCWNRQVFC-QWHCGFSZSA-N 2 0 228.380 1.637 10 0 BDAERP COC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261527672 536524334 /nfs/dbraw/zinc/52/43/34/536524334.db2.gz FPYSCQJXVUOPEQ-ZJUUUORDSA-N 2 0 200.326 1.081 10 0 BDAERP CC(C)COCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400722221 528095581 /nfs/dbraw/zinc/09/55/81/528095581.db2.gz OUPTWPGEWCXLBH-CHWSQXEVSA-N 2 0 228.380 1.637 10 0 BDAERP CC[NH+](CC)CCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400383876 528112771 /nfs/dbraw/zinc/11/27/71/528112771.db2.gz LGKQJQKLRRWBEC-OLZOCXBDSA-N 2 0 227.396 1.306 10 0 BDAERP CC[N@H+](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400501621 528513392 /nfs/dbraw/zinc/51/33/92/528513392.db2.gz GWMPPTWFWQULMT-NWDGAFQWSA-N 2 0 225.380 1.058 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400591210 529081879 /nfs/dbraw/zinc/08/18/79/529081879.db2.gz UJRHMRDPKHDCKR-FRRDWIJNSA-N 2 0 225.380 1.058 10 0 BDAERP CCC[NH+]1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043567886 534932536 /nfs/dbraw/zinc/93/25/36/534932536.db2.gz YMCSSJFUJWBABW-UHFFFAOYSA-N 2 0 220.320 1.196 10 0 BDAERP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)C1 ZINC000252730973 536878833 /nfs/dbraw/zinc/87/88/33/536878833.db2.gz NTHXGKWLTCSAOI-USZNOCQGSA-N 2 0 214.353 1.482 10 0 BDAERP COC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757132882 582508418 /nfs/dbraw/zinc/50/84/18/582508418.db2.gz SAJSDWULDDOACN-XQQFMLRXSA-N 2 0 226.364 1.628 10 0 BDAERP CCOCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757134908 582513164 /nfs/dbraw/zinc/51/31/64/582513164.db2.gz XJWJTZJYYXDNPF-ZDUSSCGKSA-N 2 0 226.364 1.631 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CC(C)(C)[C@H](C)O2 ZINC000757141320 582522149 /nfs/dbraw/zinc/52/21/49/582522149.db2.gz AAMKAQYKPYPBEO-NSHDSACASA-N 2 0 226.364 1.833 10 0 BDAERP C1CC1[NH+]1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757143109 582522921 /nfs/dbraw/zinc/52/29/21/582522921.db2.gz MEGQNEQCMIZOJN-WCQYABFASA-N 2 0 236.359 1.729 10 0 BDAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](C2CCOCC2)[NH2+]1 ZINC000757209803 582560229 /nfs/dbraw/zinc/56/02/29/582560229.db2.gz GKLPKHSZCXIFDC-YGNMPJRFSA-N 2 0 226.364 1.374 10 0 BDAERP CC(=O)c1ccc([C@@H]2[NH2+]CCC[C@@H]2C[NH3+])cc1 ZINC000757218004 582562840 /nfs/dbraw/zinc/56/28/40/582562840.db2.gz UMJYNVNUIDPXBX-KGLIPLIRSA-N 2 0 232.327 1.889 10 0 BDAERP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1c1ccc(C=O)s1 ZINC000757220345 582563855 /nfs/dbraw/zinc/56/38/55/582563855.db2.gz YUEQTPRTMIRMTF-KWQFWETISA-N 2 0 224.329 1.560 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1N ZINC000702458516 582926473 /nfs/dbraw/zinc/92/64/73/582926473.db2.gz BLNWSIHZWNCONY-SNVBAGLBSA-N 2 0 208.309 1.340 10 0 BDAERP c1cn2c([nH+]1)NCC[C@@H]2[C@@H]1CCC[NH2+]C1 ZINC000232461329 585031091 /nfs/dbraw/zinc/03/10/91/585031091.db2.gz LPVYEHSIEQZYHK-NXEZZACHSA-N 2 0 206.293 1.239 10 0 BDAERP C[C@@H]1C[C@@H](c2ccc(C[NH3+])cc2)NC[C@@H]1[NH3+] ZINC000757206570 586437161 /nfs/dbraw/zinc/43/71/61/586437161.db2.gz AFUKMPHIORNNIF-ICCXJUOJSA-N 3 0 219.332 1.143 10 0 BDAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757207051 586437621 /nfs/dbraw/zinc/43/76/21/586437621.db2.gz AWENXXRQDMHJNW-DRABBMOASA-N 2 0 247.386 1.779 10 0 BDAERP Nc1ccc([C@@H]2CCC[NH2+]C2)c2c1C[NH2+]CC2 ZINC000757209340 586438542 /nfs/dbraw/zinc/43/85/42/586438542.db2.gz DQCPEBQGAVLMDH-SNVBAGLBSA-N 2 0 231.343 1.382 10 0 BDAERP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1c1cccc(C=O)c1 ZINC000757210124 586438621 /nfs/dbraw/zinc/43/86/21/586438621.db2.gz DYBVBQYVOQAANK-QWHCGFSZSA-N 2 0 218.300 1.499 10 0 BDAERP COC(=O)[C@@H]1CC[NH2+][C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757210834 586438758 /nfs/dbraw/zinc/43/87/58/586438758.db2.gz HLIGWGRKOWWAEH-CHWSQXEVSA-N 2 0 248.326 1.359 10 0 BDAERP C[C@@H]1N[C@@H](c2cccc(C[NH3+])c2)CC[C@@H]1[NH3+] ZINC000757211815 586439063 /nfs/dbraw/zinc/43/90/63/586439063.db2.gz IUONSDWSEARGKW-TVYUQYBPSA-N 2 0 219.332 1.286 10 0 BDAERP [NH3+]CC[C@@H]1CC[C@@H](C2CCOCC2)[NH2+]C1 ZINC000757212108 586439118 /nfs/dbraw/zinc/43/91/18/586439118.db2.gz LRPHJNBSTHMUKG-JQWIXIFHSA-N 2 0 212.337 1.130 10 0 BDAERP CC(=O)c1cccc([C@@H]2C[NH2+]C[C@@H](C[NH3+])C2)c1 ZINC000757212332 586439320 /nfs/dbraw/zinc/43/93/20/586439320.db2.gz IIKGPQHBOVZNIF-RISCZKNCSA-N 2 0 232.327 1.541 10 0 BDAERP [NH3+][C@H]1CC[NH2+][C@@H](c2cccc(C=O)c2)C1 ZINC000757213381 586439448 /nfs/dbraw/zinc/43/94/48/586439448.db2.gz JVAWALPLCSDZHI-NWDGAFQWSA-N 2 0 204.273 1.251 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](C2CCOCC2)[NH2+]1 ZINC000757213227 586439522 /nfs/dbraw/zinc/43/95/22/586439522.db2.gz OZLDGWDVNYEERS-YUSALJHKSA-N 2 0 212.337 1.128 10 0 BDAERP [NH3+]Cc1ccc([C@H]2CC[C@@H](C[NH3+])C[NH2+]2)cc1 ZINC000757217771 586441909 /nfs/dbraw/zinc/44/19/09/586441909.db2.gz SGZORAKFPPYCQD-WCQYABFASA-N 3 0 219.332 1.145 10 0 BDAERP [NH3+]C[C@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757219968 586442373 /nfs/dbraw/zinc/44/23/73/586442373.db2.gz ZLXJTMVYHDJBKB-WCQYABFASA-N 2 0 218.300 1.151 10 0 BDAERP C[C@@H](CN[C@@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000129161091 591267199 /nfs/dbraw/zinc/26/71/99/591267199.db2.gz CWAMDSHSKZRHIR-UONOGXRCSA-N 2 0 239.407 1.593 10 0 BDAERP COC1CC([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000230674497 641079715 /nfs/dbraw/zinc/07/97/15/641079715.db2.gz FTKIMDYVAZGGAF-PKSQDBQZSA-N 2 0 226.364 1.484 10 0 BDAERP CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(N)n2)C1 ZINC000060452621 641177591 /nfs/dbraw/zinc/17/75/91/641177591.db2.gz MWHHXDVXDOVXTI-SNVBAGLBSA-N 2 0 235.335 1.263 10 0 BDAERP Cc1cnc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000231740640 641200315 /nfs/dbraw/zinc/20/03/15/641200315.db2.gz YKKQWITXXAPEMR-LLVKDONJSA-N 2 0 237.347 1.975 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757151923 643340822 /nfs/dbraw/zinc/34/08/22/643340822.db2.gz RYHMUOADDIHUGS-CHWSQXEVSA-N 2 0 224.348 1.587 10 0 BDAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000082645568 643362792 /nfs/dbraw/zinc/36/27/92/643362792.db2.gz VRYJPWNQEQQBLN-SRVKXCTJSA-N 2 0 212.337 1.225 10 0 BDAERP CCc1cc(NCC2CC([NH3+])C2)nc(C)n1 ZINC000084447958 643663673 /nfs/dbraw/zinc/66/36/73/643663673.db2.gz QEKAQDVAUDCQIH-UHFFFAOYSA-N 2 0 220.320 1.497 10 0 BDAERP C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000052381449 644536857 /nfs/dbraw/zinc/53/68/57/644536857.db2.gz LKDCRPDCBHJTHI-TUAOUCFPSA-N 2 0 212.337 1.225 10 0 BDAERP C[C@@H]1C[N@H+](C[C@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723894174 711544193 /nfs/dbraw/zinc/54/41/93/711544193.db2.gz IYAQIXJDPXTMIB-IJLUTSLNSA-N 2 0 212.337 1.082 10 0 BDAERP COC[C@H](C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000721909657 711814632 /nfs/dbraw/zinc/81/46/32/711814632.db2.gz AZZFHHYXGUPTRB-SRVKXCTJSA-N 2 0 214.353 1.184 10 0 BDAERP COCC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000713962631 712475171 /nfs/dbraw/zinc/47/51/71/712475171.db2.gz ZLTOQLQDZWZSFN-FMNWTUGISA-N 2 0 224.348 1.284 10 0 BDAERP CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000714628251 712493738 /nfs/dbraw/zinc/49/37/38/712493738.db2.gz YLBCRCOQJDCTCG-SRVKXCTJSA-N 2 0 212.337 1.143 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@H]2CCO[C@@H](C)C2)CC1 ZINC000714753190 712497090 /nfs/dbraw/zinc/49/70/90/712497090.db2.gz IBAHQBGDEYFOGP-RYUDHWBXSA-N 2 0 226.364 1.757 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3ccns3)C[C@H]12 ZINC000719833985 712823692 /nfs/dbraw/zinc/82/36/92/712823692.db2.gz UPPTZLDTZFQZHU-ADEWGFFLSA-N 2 0 237.372 1.355 10 0 BDAERP C[N@H+](CCc1ccns1)[C@@H]1CCC[NH2+]CC1 ZINC000719845089 712825473 /nfs/dbraw/zinc/82/54/73/712825473.db2.gz LRTRCVVGRPFXST-LLVKDONJSA-N 2 0 239.388 1.760 10 0 BDAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000723119260 711504916 /nfs/dbraw/zinc/50/49/16/711504916.db2.gz XSIDXUFHAWDGOP-MOLYVOAJSA-N 2 0 208.349 1.702 10 0 BDAERP Cc1c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cnn1C ZINC000723895393 711544055 /nfs/dbraw/zinc/54/40/55/711544055.db2.gz WDUYFNPOUBRCCY-ZYHUDNBSSA-N 2 0 236.363 1.145 10 0 BDAERP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000723990350 711551558 /nfs/dbraw/zinc/55/15/58/711551558.db2.gz ZGTKYPVGSDMWCL-MCIONIFRSA-N 2 0 240.391 1.923 10 0 BDAERP C[N@H+](C[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000708347535 712190300 /nfs/dbraw/zinc/19/03/00/712190300.db2.gz JCSZGUFZCCTWPG-OLZOCXBDSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)C[C@@H]1C[NH3+] ZINC000712483788 712431375 /nfs/dbraw/zinc/43/13/75/712431375.db2.gz DBOHCYYENRUFQO-AGIUHOORSA-N 2 0 238.375 1.615 10 0 BDAERP COCC1CC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000713972520 712475658 /nfs/dbraw/zinc/47/56/58/712475658.db2.gz JTDQPKLYTHARNU-HCWSGVFWSA-N 2 0 224.348 1.271 10 0 BDAERP C[C@@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000716527302 712566920 /nfs/dbraw/zinc/56/69/20/712566920.db2.gz BBKIILRVZIUPJQ-IKKURHKOSA-N 2 0 222.376 1.866 10 0 BDAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000716665308 712568973 /nfs/dbraw/zinc/56/89/73/712568973.db2.gz HCTPTLJRATWRSL-VCDKRKBESA-N 2 0 208.349 1.620 10 0 BDAERP Cn1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000717903644 712732317 /nfs/dbraw/zinc/73/23/17/712732317.db2.gz BURKJBAEZUDOJO-KWCYVHTRSA-N 2 0 248.374 1.684 10 0 BDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000718001239 712736100 /nfs/dbraw/zinc/73/61/00/712736100.db2.gz YBYDPZSACOMJPQ-CRWXNKLISA-N 2 0 237.391 1.282 10 0 BDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@@H]1C[NH3+] ZINC000720890413 712875100 /nfs/dbraw/zinc/87/51/00/712875100.db2.gz BINNJIXDTLLJEG-IKOXMDCHSA-N 2 0 238.375 1.471 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955096 538899628 /nfs/dbraw/zinc/89/96/28/538899628.db2.gz SVAUVUOTFVCPRE-RNJOBUHISA-N 2 0 226.364 1.756 10 0 BDAERP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685955230 538900607 /nfs/dbraw/zinc/90/06/07/538900607.db2.gz WJEVZOCOEZQWOT-WDEREUQCSA-N 2 0 214.378 1.695 10 0 BDAERP CC(C)C[NH+]1CCC2(CC1)[C@H]([NH3+])CCN2C ZINC000685952721 538896644 /nfs/dbraw/zinc/89/66/44/538896644.db2.gz COJKWCLWBRGOEA-GFCCVEGCSA-N 2 0 225.380 1.140 10 0 BDAERP Cc1ccc(F)cc1[C@H]1C[NH2+]C[C@@]1(C)N ZINC000685965672 538912402 /nfs/dbraw/zinc/91/24/02/538912402.db2.gz OGNGHKJBJXAVQB-VXGBXAGGSA-N 2 0 208.280 1.538 10 0 BDAERP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)[C@@H](C)O1 ZINC000423174925 398164569 /nfs/dbraw/zinc/16/45/69/398164569.db2.gz DCLZDNICVXOIGW-FDYHWXHSSA-N 2 0 226.364 1.532 10 0 BDAERP Cc1cc(N(C)C2CC[NH2+]CC2)cc[nH+]1 ZINC000107198240 178096146 /nfs/dbraw/zinc/09/61/46/178096146.db2.gz ZQTZNVGAVIUZRH-UHFFFAOYSA-N 2 0 205.305 1.578 10 0 BDAERP FC1(F)CCCC[C@@H]1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381701290 398270086 /nfs/dbraw/zinc/27/00/86/398270086.db2.gz OVBIAVFMWYLHQJ-IJLUTSLNSA-N 2 0 244.329 1.963 10 0 BDAERP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CSC[C@H]1C ZINC000306648414 361838271 /nfs/dbraw/zinc/83/82/71/361838271.db2.gz CILIKFHOUMSLJD-KYXWUPHJSA-N 2 0 200.351 1.159 10 0 BDAERP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037164735 538961706 /nfs/dbraw/zinc/96/17/06/538961706.db2.gz MERUNVUHYNOTME-KBPBESRZSA-N 2 0 240.391 1.754 10 0 BDAERP CCN1C[C@H]([NH2+][C@H](C)CCCOC)[C@@H](C)C1 ZINC000390505596 539022775 /nfs/dbraw/zinc/02/27/75/539022775.db2.gz WTYFIZSWNQHWMK-XQQFMLRXSA-N 2 0 228.380 1.731 10 0 BDAERP C[C@@H](C[NH2+]CCC[NH2+]CCO)c1ccccc1 ZINC000013732731 342870922 /nfs/dbraw/zinc/87/09/22/342870922.db2.gz DHISMQLBQIMJLV-ZDUSSCGKSA-N 2 0 236.359 1.352 10 0 BDAERP CC[NH+]1CCN(c2ccc(NC(N)=[NH2+])cc2)CC1 ZINC000117121490 342944297 /nfs/dbraw/zinc/94/42/97/342944297.db2.gz RFINXLIBIUZKIS-UHFFFAOYSA-N 2 0 247.346 1.134 10 0 BDAERP COC(C)(C)C[C@H](C)[NH2+]CCC[NH+](C)C ZINC000020524440 342989534 /nfs/dbraw/zinc/98/95/34/342989534.db2.gz YIUFSNNZNUBEIL-NSHDSACASA-N 2 0 216.369 1.731 10 0 BDAERP COC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000159220182 349754797 /nfs/dbraw/zinc/75/47/97/349754797.db2.gz DSDXCQGWOAKMAM-UWVGGRQHSA-N 2 0 200.326 1.081 10 0 BDAERP C[C@@H]1SCCC[C@]1(C[NH3+])N1CCC1 ZINC000306670206 362031744 /nfs/dbraw/zinc/03/17/44/362031744.db2.gz XKRGHBOUGOOMGJ-VHSXEESVSA-N 2 0 200.351 1.305 10 0 BDAERP O[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000051770114 343260048 /nfs/dbraw/zinc/26/00/48/343260048.db2.gz ZZRBITDBOIDAJH-CHWSQXEVSA-N 2 0 226.364 1.365 10 0 BDAERP C[C@@]1(C[NH+]2CCSCC2)CCC[C@@H]1[NH3+] ZINC000134947951 343268055 /nfs/dbraw/zinc/26/80/55/343268055.db2.gz IIETVAFDIXSCNG-QWRGUYRKSA-N 2 0 214.378 1.553 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)C(C1CC1)C1CC1 ZINC000083894095 343506485 /nfs/dbraw/zinc/50/64/85/343506485.db2.gz MEEBYCAFTWZWHH-UHFFFAOYSA-N 2 0 208.349 1.764 10 0 BDAERP CCCN1CC[C@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712083520 537783982 /nfs/dbraw/zinc/78/39/82/537783982.db2.gz DIQWCIRBAUITKB-ZDUSSCGKSA-N 3 0 237.391 1.426 10 0 BDAERP CCCN1CC[C@H]([NH3+])C12CC[NH+](CCC)CC2 ZINC000712058220 537784347 /nfs/dbraw/zinc/78/43/47/537784347.db2.gz MOJMTNWJAADHAV-ZDUSSCGKSA-N 3 0 239.407 1.674 10 0 BDAERP [NH3+]CCC[N@H+](CC1CC1)C1CCOCC1 ZINC000409428143 343802675 /nfs/dbraw/zinc/80/26/75/343802675.db2.gz FZHXMOWFRKVZQK-UHFFFAOYSA-N 2 0 212.337 1.226 10 0 BDAERP FC(F)[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000409427156 343800046 /nfs/dbraw/zinc/80/00/46/343800046.db2.gz JSJDAUQTRGRWPM-MRVPVSSYSA-N 2 0 204.264 1.325 10 0 BDAERP CC(C)[N@@H+]1CCOc2ccc(C[NH3+])cc2C1 ZINC000409422510 343813793 /nfs/dbraw/zinc/81/37/93/343813793.db2.gz HOQKJAVKJRVHNZ-UHFFFAOYSA-N 2 0 220.316 1.748 10 0 BDAERP OC[C@]12C[N@@H+](C3CC[NH2+]CC3)C[C@@H]1CCCC2 ZINC000409435592 343834310 /nfs/dbraw/zinc/83/43/10/343834310.db2.gz VOUUQZXGPPCBRE-JSGCOSHPSA-N 2 0 238.375 1.223 10 0 BDAERP [NH3+]CCC[N@@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409436089 343837262 /nfs/dbraw/zinc/83/72/62/343837262.db2.gz YAYSYUVRZQMFCM-GFCCVEGCSA-N 2 0 226.364 1.210 10 0 BDAERP CCOC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC1(C)C ZINC000409436151 343837540 /nfs/dbraw/zinc/83/75/40/343837540.db2.gz YJDJQNXOGWAWGS-LBPRGKRZSA-N 2 0 240.391 1.733 10 0 BDAERP OC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC12CCCC2 ZINC000409436216 343837982 /nfs/dbraw/zinc/83/79/82/343837982.db2.gz YSNCAZGLOVIHHP-LBPRGKRZSA-N 2 0 238.375 1.223 10 0 BDAERP CC(C)C[C@H]1C[N@@H+](C2CC[NH2+]CC2)CC[C@H]1O ZINC000409435793 343839918 /nfs/dbraw/zinc/83/99/18/343839918.db2.gz WOPXZLYJMAQCBK-GXTWGEPZSA-N 2 0 240.391 1.467 10 0 BDAERP C[C@@H]([NH2+]CCN1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000570507934 323061598 /nfs/dbraw/zinc/06/15/98/323061598.db2.gz UUHORMSPDROIBN-ZIAGYGMSSA-N 2 0 237.391 1.226 10 0 BDAERP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2cccc(F)c2)C1 ZINC000022130087 343908387 /nfs/dbraw/zinc/90/83/87/343908387.db2.gz NTVLHMJXZIPRNF-AAEUAGOBSA-N 2 0 222.307 1.647 10 0 BDAERP CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226858201 534958208 /nfs/dbraw/zinc/95/82/08/534958208.db2.gz MPZDMQJLKSABTF-STQMWFEESA-N 2 0 225.380 1.012 10 0 BDAERP COC(=O)CCCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000600706007 344360220 /nfs/dbraw/zinc/36/02/20/344360220.db2.gz BZRMVAZPVNNALD-GFCCVEGCSA-N 2 0 242.363 1.404 10 0 BDAERP CC(C)N1CC[NH+]([C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000113222234 537846953 /nfs/dbraw/zinc/84/69/53/537846953.db2.gz QKFGVHIZBSTBKE-KBPBESRZSA-N 2 0 239.407 1.530 10 0 BDAERP C[C@H]1CC[N@@H+]([C@@]2(CN)CCSC2)C1 ZINC000226756655 344685573 /nfs/dbraw/zinc/68/55/73/344685573.db2.gz QDWJCWZVZIOOBA-VHSXEESVSA-N 2 0 200.351 1.163 10 0 BDAERP C([NH2+][C@@]12C[C@@H]1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000635001061 345202885 /nfs/dbraw/zinc/20/28/85/345202885.db2.gz DSMZJUGZWJAORX-AGIUHOORSA-N 2 0 208.349 1.908 10 0 BDAERP C[NH+](C)C1(c2ccccc2)CC[NH2+]CC1 ZINC000071509202 537894145 /nfs/dbraw/zinc/89/41/45/537894145.db2.gz LZJCNZXEVTXKSL-UHFFFAOYSA-N 2 0 204.317 1.827 10 0 BDAERP [NH3+]CCN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000034522525 345830802 /nfs/dbraw/zinc/83/08/02/345830802.db2.gz YABLKWFIOOTQGY-HNNXBMFYSA-N 2 0 245.370 1.250 10 0 BDAERP c1ccc(N2CCC[NH+]=C2N2CC[NH2+]CC2)cc1 ZINC000141964883 345867610 /nfs/dbraw/zinc/86/76/10/345867610.db2.gz SNHRPHLTQVJNIQ-UHFFFAOYSA-N 2 0 244.342 1.158 10 0 BDAERP CC[C@@H](C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377542 537964641 /nfs/dbraw/zinc/96/46/41/537964641.db2.gz STNPBWJBVJDOIR-LSDHHAIUSA-N 2 0 248.370 1.608 10 0 BDAERP [NH3+]CC1([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000669377834 537966442 /nfs/dbraw/zinc/96/64/42/537966442.db2.gz XVDRCXRXVIXBAV-OAHLLOKOSA-N 2 0 246.354 1.362 10 0 BDAERP Cc1c[nH+]ccc1NCC1CC[NH2+]CC1 ZINC000070047564 349965231 /nfs/dbraw/zinc/96/52/31/349965231.db2.gz JABHMIAQFHKQJR-UHFFFAOYSA-N 2 0 205.305 1.802 10 0 BDAERP [NH3+]CC1(C[NH+]2CCSCC2)CCC1 ZINC000168520105 346737032 /nfs/dbraw/zinc/73/70/32/346737032.db2.gz HQFRSNBQJVLVCY-UHFFFAOYSA-N 2 0 200.351 1.164 10 0 BDAERP CCC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000582073871 347176124 /nfs/dbraw/zinc/17/61/24/347176124.db2.gz SOWIOTJXZVIJHV-AVGNSLFASA-N 2 0 228.380 1.515 10 0 BDAERP CC1(C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000310514628 347291327 /nfs/dbraw/zinc/29/13/27/347291327.db2.gz KRARZIMPOKEFHV-STQMWFEESA-N 2 0 240.391 1.611 10 0 BDAERP CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000310514620 347291481 /nfs/dbraw/zinc/29/14/81/347291481.db2.gz KRARZIMPOKEFHV-OLZOCXBDSA-N 2 0 240.391 1.611 10 0 BDAERP COc1ccc(C[C@H]2C[N@H+](C)CC[C@@H]2[NH3+])cc1 ZINC000250613254 362812366 /nfs/dbraw/zinc/81/23/66/362812366.db2.gz NGBQUSZMCAZIFG-JSGCOSHPSA-N 2 0 234.343 1.517 10 0 BDAERP C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccsc1 ZINC000250727083 362818375 /nfs/dbraw/zinc/81/83/75/362818375.db2.gz JPAAFNYKOJPTRZ-GXSJLCMTSA-N 2 0 210.346 1.960 10 0 BDAERP Cc1ccccc1CN(C)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990393 179269213 /nfs/dbraw/zinc/26/92/13/179269213.db2.gz NKZKQZFWAITTGP-OAHLLOKOSA-N 2 0 247.386 1.460 10 0 BDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCC[NH3+] ZINC000070201723 349976625 /nfs/dbraw/zinc/97/66/25/349976625.db2.gz IJXAPDYYHXTYKA-LBPRGKRZSA-N 2 0 243.395 1.208 10 0 BDAERP Cc1ccccc1N(CCC[NH3+])CC[NH+](C)C ZINC000036730476 179295851 /nfs/dbraw/zinc/29/58/51/179295851.db2.gz DLIGCRGRETUUCM-UHFFFAOYSA-N 2 0 235.375 1.712 10 0 BDAERP C[C@@H]1C[N@@H+]([C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000251736597 362902093 /nfs/dbraw/zinc/90/20/93/362902093.db2.gz KPEOYBKZSKYBFZ-OPRDCNLKSA-N 2 0 200.351 1.161 10 0 BDAERP [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncnc2[nH]ccc21 ZINC000420189331 192172913 /nfs/dbraw/zinc/17/29/13/192172913.db2.gz DLQSMVQLVNXJLJ-KOLCDFICSA-N 2 0 245.330 1.887 10 0 BDAERP CC(C)=CC[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260462 538082712 /nfs/dbraw/zinc/08/27/12/538082712.db2.gz SQSSHCBDOBEZDF-LLVKDONJSA-N 2 0 249.362 1.123 10 0 BDAERP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)C1 ZINC000725264057 538090803 /nfs/dbraw/zinc/09/08/03/538090803.db2.gz BDCJBKHYIISULX-JHJVBQTASA-N 2 0 238.375 1.615 10 0 BDAERP Cc1cc(N2CCC(OCCC[NH3+])CC2)cc[nH+]1 ZINC000162902336 350460575 /nfs/dbraw/zinc/46/05/75/350460575.db2.gz QUSSCDPCBVYAQU-UHFFFAOYSA-N 2 0 249.358 1.724 10 0 BDAERP Cc1nn(CC[NH+]2CCCC2)c(C)c1C[NH3+] ZINC000036868367 180389166 /nfs/dbraw/zinc/38/91/66/180389166.db2.gz CYFLQAPHMACWGH-UHFFFAOYSA-N 2 0 222.336 1.054 10 0 BDAERP [NH3+]CCN1CCC[C@H]1c1ccccc1CCO ZINC000616608528 350804300 /nfs/dbraw/zinc/80/43/00/350804300.db2.gz XDUARVFEOJYVBZ-AWEZNQCLSA-N 2 0 234.343 1.317 10 0 BDAERP C[C@@H]1CSCC[N@@H+]1[C@H]1CC[C@H]([NH3+])C1 ZINC000251853374 350905042 /nfs/dbraw/zinc/90/50/42/350905042.db2.gz RSFROWGUWKGZOW-UTLUCORTSA-N 2 0 200.351 1.304 10 0 BDAERP CNC(=[NH2+])N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000306719108 350878402 /nfs/dbraw/zinc/87/84/02/350878402.db2.gz JXPDSXSQRXXRRK-AAEUAGOBSA-N 2 0 246.358 1.251 10 0 BDAERP C/C(=C\Cl)CN1CCC[C@H]([NH3+])[C@@H]1C ZINC000306800753 351056478 /nfs/dbraw/zinc/05/64/78/351056478.db2.gz PFDXUTDXUYUUPD-OKJFYCPLSA-N 2 0 202.729 1.941 10 0 BDAERP CCc1nc(C)cc(N[C@@H](C)CCCC[NH3+])n1 ZINC000336722931 351234612 /nfs/dbraw/zinc/23/46/12/351234612.db2.gz TXWZFWAIPIJYIV-JTQLQIEISA-N 2 0 236.363 1.699 10 0 BDAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000386584482 363017138 /nfs/dbraw/zinc/01/71/38/363017138.db2.gz IBSCDKZSCMHITK-YNEHKIRRSA-N 2 0 247.342 1.259 10 0 BDAERP C[C@@H]1C[NH2+][C@](C)(C2CC[NH2+]CC2)S1 ZINC000306971383 351392363 /nfs/dbraw/zinc/39/23/63/351392363.db2.gz SCRNPCWWCUKXLO-SCZZXKLOSA-N 2 0 200.351 1.427 10 0 BDAERP C[NH2+]C[C@@H](O)CC[N@H+](C)Cc1ccccc1 ZINC000307030675 351431338 /nfs/dbraw/zinc/43/13/38/351431338.db2.gz DSSHOVACAIPXKD-ZDUSSCGKSA-N 2 0 222.332 1.089 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C1CSC1 ZINC000307131049 351495459 /nfs/dbraw/zinc/49/54/59/351495459.db2.gz SPRPYGDTPGOQDZ-RKDXNWHRSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1CS[C@]2(CC[N@H+](C)C[C@@H]2C)[NH2+]1 ZINC000307249781 351756166 /nfs/dbraw/zinc/75/61/66/351756166.db2.gz OWWGSVCZEPSJHL-AEJSXWLSSA-N 2 0 200.351 1.379 10 0 BDAERP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1[C@H]1CCCSC1 ZINC000307384873 352511787 /nfs/dbraw/zinc/51/17/87/352511787.db2.gz JBJRVOKKDAHCRY-OUAUKWLOSA-N 2 0 214.378 1.694 10 0 BDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1C/C=C/C[NH3+] ZINC000132429830 353381164 /nfs/dbraw/zinc/38/11/64/353381164.db2.gz APSZLGCSQMPINC-OKWQPMOJSA-N 2 0 200.351 1.327 10 0 BDAERP CC(C)N1CC[NH+](C2CCC([NH3+])CC2)CC1 ZINC000055144387 188483913 /nfs/dbraw/zinc/48/39/13/188483913.db2.gz AJDBJBOCTVMDRM-UHFFFAOYSA-N 2 0 225.380 1.282 10 0 BDAERP C[C@@H]1SCC[N@H+](C/C=C\C[NH3+])[C@H]1C ZINC000308078057 353767172 /nfs/dbraw/zinc/76/71/72/353767172.db2.gz APSZLGCSQMPINC-CMIOBCHKSA-N 2 0 200.351 1.327 10 0 BDAERP C([C@H]1CCC[NH2+]C1)[C@H]1C[NH+]2CCC1CC2 ZINC000169726663 188520756 /nfs/dbraw/zinc/52/07/56/188520756.db2.gz DXBDJDMVMPNVIN-YPMHNXCESA-N 2 0 208.349 1.718 10 0 BDAERP COC(C)(C)[C@H](C)[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000301039087 363358835 /nfs/dbraw/zinc/35/88/35/363358835.db2.gz YLUAWSJQJYKHQJ-GUBZILKMSA-N 2 0 200.326 1.079 10 0 BDAERP CSCCCCC[NH2+]C1CC[NH2+]CC1 ZINC000235130611 363438294 /nfs/dbraw/zinc/43/82/94/363438294.db2.gz BZQMFBWYIGNKNL-UHFFFAOYSA-N 2 0 216.394 1.861 10 0 BDAERP C[C@@H]1CSC[C@H]1[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405789699 355276342 /nfs/dbraw/zinc/27/63/42/355276342.db2.gz KKBYYWGYPFMWGA-OPRDCNLKSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1COC[C@H](C)[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420303496 192207426 /nfs/dbraw/zinc/20/74/26/192207426.db2.gz NNZRWZVRPPWAGS-FRRDWIJNSA-N 2 0 226.364 1.485 10 0 BDAERP CC1(C)CC2(CC(C)(C)[NH2+]1)OCC[C@H]2C[NH3+] ZINC000675079991 538519498 /nfs/dbraw/zinc/51/94/98/538519498.db2.gz JVFWSWINZWNMNV-JTQLQIEISA-N 2 0 226.364 1.661 10 0 BDAERP CCC[NH+](CCC)C1CCN(CC[NH3+])CC1 ZINC000115814573 538725285 /nfs/dbraw/zinc/72/52/85/538725285.db2.gz JPWJBFQFTYNSMQ-UHFFFAOYSA-N 2 0 227.396 1.532 10 0 BDAERP Cc1[nH+]ccc(N[C@H]2C[NH2+]CC[C@@H]2C)c1Cl ZINC000389750799 357024952 /nfs/dbraw/zinc/02/49/52/357024952.db2.gz KSSXOADMJVUXOD-KWQFWETISA-N 2 0 239.750 1.875 10 0 BDAERP COCCC[NH2+]C1CCC(C)(C[NH3+])CC1 ZINC000685945893 538887597 /nfs/dbraw/zinc/88/75/97/538887597.db2.gz FCFBASGSHKJEIB-UHFFFAOYSA-N 2 0 214.353 1.520 10 0 BDAERP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000584768887 358171459 /nfs/dbraw/zinc/17/14/59/358171459.db2.gz JQBZQGYSUPMWBA-FDYHWXHSSA-N 2 0 240.391 1.920 10 0 BDAERP CC[C@@H](O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000584612569 358275673 /nfs/dbraw/zinc/27/56/73/358275673.db2.gz BGRIBZLCNWYISV-CYBMUJFWSA-N 2 0 226.364 1.221 10 0 BDAERP [NH3+][C@H]1CC[C@@H]([NH+]2CCC(F)(F)CC2)CC1 ZINC000584600413 358257082 /nfs/dbraw/zinc/25/70/82/358257082.db2.gz MFVQJGXJFHMZKV-AOOOYVTPSA-N 2 0 218.291 1.987 10 0 BDAERP C[C@H]([NH3+])Cc1ccccc1N1CC[NH+](C)CC1 ZINC000044460726 358387275 /nfs/dbraw/zinc/38/72/75/358387275.db2.gz SNKOUMFPJHAPEW-LBPRGKRZSA-N 2 0 233.359 1.328 10 0 BDAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000247209014 359201662 /nfs/dbraw/zinc/20/16/62/359201662.db2.gz VPXIDSCNRCACQX-RFGFWPKPSA-N 2 0 240.391 1.730 10 0 BDAERP CSC1(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)CC1 ZINC000306230585 359366390 /nfs/dbraw/zinc/36/63/90/359366390.db2.gz ZTLLDRNUNHUGMV-UWVGGRQHSA-N 2 0 214.378 1.551 10 0 BDAERP Cc1[nH+]ccc(N(C)CCOCC[NH3+])c1Cl ZINC000380765483 359585053 /nfs/dbraw/zinc/58/50/53/359585053.db2.gz XJIPAASNUVRRGB-UHFFFAOYSA-N 2 0 243.738 1.455 10 0 BDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(O)C1C[NH2+]C1 ZINC000306398796 359765953 /nfs/dbraw/zinc/76/59/53/359765953.db2.gz MOJSAPUHJFRHIC-SWLSCSKDSA-N 2 0 246.354 1.231 10 0 BDAERP [NH3+]C1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000094074924 360294932 /nfs/dbraw/zinc/29/49/32/360294932.db2.gz PCZCZBNBHMSDMW-UHFFFAOYSA-N 3 0 239.407 1.722 10 0 BDAERP C[C@@H]1CSCCN1C1(C[NH3+])CCCC1 ZINC000069760722 360408305 /nfs/dbraw/zinc/40/83/05/360408305.db2.gz SCPFXICFKSYCED-SNVBAGLBSA-N 2 0 214.378 1.695 10 0 BDAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CCSC[C@H]1C ZINC000069761060 360409427 /nfs/dbraw/zinc/40/94/27/360409427.db2.gz VTTVNSLTHKCKHS-JGVFFNPUSA-N 2 0 201.339 1.138 10 0 BDAERP C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC000306598139 360518756 /nfs/dbraw/zinc/51/87/56/360518756.db2.gz PBDHNXHLCOZVCS-RCWTZXSCSA-N 2 0 214.378 1.550 10 0 BDAERP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000252554217 363892622 /nfs/dbraw/zinc/89/26/22/363892622.db2.gz HEJHVNANPCGZAN-XBFCOCLRSA-N 2 0 216.328 1.726 10 0 BDAERP C[C@@H](C[NH+](C)C)NC1=[NH+]C[C@H](C)S1 ZINC000130673496 364014924 /nfs/dbraw/zinc/01/49/24/364014924.db2.gz NIDARMVLJRDORW-YUMQZZPRSA-N 2 0 201.339 1.017 10 0 BDAERP CO[C@H]1CN(Cc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630364014 364082686 /nfs/dbraw/zinc/08/26/86/364082686.db2.gz OEPIVCKEFRZRDX-OLZOCXBDSA-N 2 0 235.331 1.020 10 0 BDAERP CO[C@@H]1C[N@H+](CC2CC(C)(C)C2)[C@@](C)(C[NH3+])C1 ZINC000630366291 364086217 /nfs/dbraw/zinc/08/62/17/364086217.db2.gz KALHALIMQXGIER-GXTWGEPZSA-N 2 0 240.391 1.861 10 0 BDAERP [NH3+]CC(C[NH3+])c1c(Cl)cccc1Cl ZINC000039375617 181356804 /nfs/dbraw/zinc/35/68/04/181356804.db2.gz BUZIYPJUWYTGBZ-UHFFFAOYSA-N 2 0 219.115 1.994 10 0 BDAERP Cc1c[nH+]ccc1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630554996 364253419 /nfs/dbraw/zinc/25/34/19/364253419.db2.gz XULAMVXFESMXAM-WDEREUQCSA-N 2 0 205.305 1.421 10 0 BDAERP [NH3+]CCC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000042427840 181371729 /nfs/dbraw/zinc/37/17/29/181371729.db2.gz HESPIIDMCZTTFZ-UHFFFAOYSA-N 3 0 239.407 1.533 10 0 BDAERP [NH3+]CCC[NH2+]CCSC1CCCCC1 ZINC000027298766 181382156 /nfs/dbraw/zinc/38/21/56/181382156.db2.gz RWNNXBYJTQIVOZ-UHFFFAOYSA-N 2 0 216.394 1.991 10 0 BDAERP [NH3+]CCN(CC[NH3+])C[C@H]1CCCc2ccccc21 ZINC000104313493 181390251 /nfs/dbraw/zinc/39/02/51/181390251.db2.gz UBXFGORXESKRAZ-CQSZACIVSA-N 2 0 247.386 1.326 10 0 BDAERP OCC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444596367 193052453 /nfs/dbraw/zinc/05/24/53/193052453.db2.gz MZGCHGKRUNPDHP-AWEZNQCLSA-N 2 0 240.391 1.567 10 0 BDAERP C[C@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000575894863 365407552 /nfs/dbraw/zinc/40/75/52/365407552.db2.gz JTXUPTGKAKPDSH-AEGPPILISA-N 2 0 248.370 1.698 10 0 BDAERP CC(C)(C)c1cn2c([nH+]1)NCC[C@H]2C[NH3+] ZINC000232521486 541505088 /nfs/dbraw/zinc/50/50/88/541505088.db2.gz OKDKHAWECKCFLG-QMMMGPOBSA-N 2 0 208.309 1.496 10 0 BDAERP Cc1[nH+]ccc(N[C@@H](CC[NH3+])C(F)F)c1Cl ZINC000383305835 367611807 /nfs/dbraw/zinc/61/18/07/367611807.db2.gz OPMULINHYWHPGK-QMMMGPOBSA-N 2 0 249.692 1.860 10 0 BDAERP Cc1cnccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000384906619 367755069 /nfs/dbraw/zinc/75/50/69/367755069.db2.gz AOVONUGZGRHLFE-IHRRRGAJSA-N 2 0 231.343 1.559 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000566088738 325992359 /nfs/dbraw/zinc/99/23/59/325992359.db2.gz DJNVZUNBILFKEK-YUTCNCBUSA-N 2 0 240.391 1.515 10 0 BDAERP OC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000386305925 367948265 /nfs/dbraw/zinc/94/82/65/367948265.db2.gz WEDPFBQXMCQLEB-ZIAGYGMSSA-N 2 0 240.391 1.659 10 0 BDAERP C[C@H](C[N@@H+]1CCCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000252842413 368162682 /nfs/dbraw/zinc/16/26/82/368162682.db2.gz COJAZENALVBDCJ-MXWKQRLJSA-N 2 0 200.326 1.081 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CCCSC2)CCC[NH2+]1 ZINC000252979140 368177131 /nfs/dbraw/zinc/17/71/31/368177131.db2.gz GJEVSFWVVVHYBG-MNOVXSKESA-N 2 0 214.378 1.566 10 0 BDAERP CC[C@](C)(C[NH3+])[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253056321 368418167 /nfs/dbraw/zinc/41/81/67/368418167.db2.gz ARJOZHQLOALTMG-OUAUKWLOSA-N 2 0 216.394 1.940 10 0 BDAERP [NH3+]C[C@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425000 181466134 /nfs/dbraw/zinc/46/61/34/181466134.db2.gz GICXRICGDQZIQX-CHWSQXEVSA-N 2 0 226.364 1.759 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]1C[NH+]1CCSCC1 ZINC000053864448 181581666 /nfs/dbraw/zinc/58/16/66/181581666.db2.gz BRGSVQIQYYJGBQ-NXEZZACHSA-N 2 0 200.351 1.163 10 0 BDAERP CC[N@@H+]1CCC[C@]2(CC1)[NH2+]C[C@@H](C)S2 ZINC000226585377 371700589 /nfs/dbraw/zinc/70/05/89/371700589.db2.gz WETUJWYMVIMWSM-MNOVXSKESA-N 2 0 214.378 1.913 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCS1)[C@@H]1CCC[NH2+]C1 ZINC000573234933 326436945 /nfs/dbraw/zinc/43/69/45/326436945.db2.gz WWVJRWSUGYAQFC-QJPTWQEYSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@H]1SCC[N@H+](C2CC([NH3+])C2)[C@@H]1C ZINC000132791060 371923577 /nfs/dbraw/zinc/92/35/77/371923577.db2.gz SEDJDUKQKPQYHK-LGUIWLBCSA-N 2 0 200.351 1.302 10 0 BDAERP C[C@@H]1SCC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000132792530 371923844 /nfs/dbraw/zinc/92/38/44/371923844.db2.gz LOMGLRAUQAZDOU-XWLWVQCSSA-N 2 0 214.378 1.692 10 0 BDAERP C[C@H](C[C@H](C)[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000133223587 372009739 /nfs/dbraw/zinc/00/97/39/372009739.db2.gz GCWLIGABENQVFP-ZRUFSTJUSA-N 2 0 200.326 1.221 10 0 BDAERP COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838945 372634183 /nfs/dbraw/zinc/63/41/83/372634183.db2.gz XHXREPUQNAOPIU-YPMHNXCESA-N 2 0 234.343 1.722 10 0 BDAERP C[C@H](c1ccncc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840027 372636731 /nfs/dbraw/zinc/63/67/31/372636731.db2.gz OJXSJWZVYJMDGC-WZRBSPASSA-N 2 0 219.332 1.669 10 0 BDAERP C[C@@H]1C[N@H+](CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000631841074 372639306 /nfs/dbraw/zinc/63/93/06/372639306.db2.gz XUAIROFBYQHYAW-YPMHNXCESA-N 2 0 219.332 1.151 10 0 BDAERP Cc1cccc(OCC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631843189 372640494 /nfs/dbraw/zinc/64/04/94/372640494.db2.gz KDNSMHMLXCPQRW-UONOGXRCSA-N 2 0 248.370 1.900 10 0 BDAERP OCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200457 183045188 /nfs/dbraw/zinc/04/51/88/183045188.db2.gz HAEJDOATRLOKAE-AWEZNQCLSA-N 2 0 240.391 1.613 10 0 BDAERP O[C@H]1CCCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000062072615 183231744 /nfs/dbraw/zinc/23/17/44/183231744.db2.gz SIGRSFDPSFXMQV-KBPBESRZSA-N 2 0 240.391 1.756 10 0 BDAERP CCC[N@H+](CCC[NH3+])[C@H](C)C(=O)N(CC)CC ZINC000036731910 169156824 /nfs/dbraw/zinc/15/68/24/169156824.db2.gz YNDZFKCEVXXNEN-GFCCVEGCSA-N 2 0 243.395 1.304 10 0 BDAERP CCC[N@H+](CCn1cc(C[NH2+]C)nn1)C(C)C ZINC000052450395 169170174 /nfs/dbraw/zinc/17/01/74/169170174.db2.gz ISXLBXGSCBOUGF-UHFFFAOYSA-N 2 0 239.367 1.118 10 0 BDAERP CCC[NH+]1CCC(C[NH3+])(N(CC)CC)CC1 ZINC000019511446 169186476 /nfs/dbraw/zinc/18/64/76/169186476.db2.gz MUVLDZQMSCKOOL-UHFFFAOYSA-N 2 0 227.396 1.532 10 0 BDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000019266885 169203888 /nfs/dbraw/zinc/20/38/88/169203888.db2.gz LGXXSCHJMAPARW-HNNXBMFYSA-N 2 0 247.386 1.714 10 0 BDAERP CCC[NH+]1CCN(c2ccc(N)nc2)CC1 ZINC000019868275 169204138 /nfs/dbraw/zinc/20/41/38/169204138.db2.gz SWTBUMLLVCTLRB-UHFFFAOYSA-N 2 0 220.320 1.196 10 0 BDAERP CCC[N@@H+]1CCc2nc([C@@H](C)C[NH3+])sc2C1 ZINC000054158323 169207884 /nfs/dbraw/zinc/20/78/84/169207884.db2.gz PPXACGVEMBGOHG-VIFPVBQESA-N 2 0 239.388 1.973 10 0 BDAERP CCC[NH2+]CCCCC[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000062971818 169256869 /nfs/dbraw/zinc/25/68/69/169256869.db2.gz MNTIBLYGCFRFDG-CQSZACIVSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[NH2+]CCCCC[NH+]1CCN(CC)CC1 ZINC000052422453 169256911 /nfs/dbraw/zinc/25/69/11/169256911.db2.gz ZAVASCYIMWONGU-UHFFFAOYSA-N 2 0 241.423 1.794 10 0 BDAERP CCC[NH2+]CCNCCC[NH+]1CCCCCC1 ZINC000049477690 169259290 /nfs/dbraw/zinc/25/92/90/169259290.db2.gz USMAMKQEVSDBFC-UHFFFAOYSA-N 2 0 241.423 1.842 10 0 BDAERP CCC[NH2+]C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074062 169261620 /nfs/dbraw/zinc/26/16/20/169261620.db2.gz KBLZTBMOBHIGDX-UONOGXRCSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@@H](C)OC1CC[NH+](C)CC1 ZINC000052596494 169261631 /nfs/dbraw/zinc/26/16/31/169261631.db2.gz XUKUWUUUTKQUEE-LLVKDONJSA-N 2 0 214.353 1.485 10 0 BDAERP CCC[NH2+]C[C@@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000052479989 169262656 /nfs/dbraw/zinc/26/26/56/169262656.db2.gz GNNSANJDBZZSRV-CQSZACIVSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@H](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000104428134 169285973 /nfs/dbraw/zinc/28/59/73/169285973.db2.gz VGESJXBSXXQKFS-GFCCVEGCSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[NH2+][C@H](C)CCN1CC[N@H+](CC)[C@H](C)C1 ZINC000104137076 169286046 /nfs/dbraw/zinc/28/60/46/169286046.db2.gz BEURULBGRCWKDW-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](CC)CCO ZINC000053858511 169290712 /nfs/dbraw/zinc/29/07/12/169290712.db2.gz ZBQPPKUBDOXSCS-KGLIPLIRSA-N 2 0 242.407 1.859 10 0 BDAERP CCC[NH2+][C@H](CCC)CN1CC[C@H]([NH+](C)C)C1 ZINC000062965150 169288996 /nfs/dbraw/zinc/28/89/96/169288996.db2.gz WWARMHXZQFSBLW-KGLIPLIRSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@H](O)C[N@H+](CCOC)[C@@H](C)CC ZINC000042580676 169263381 /nfs/dbraw/zinc/26/33/81/169263381.db2.gz NDXPUWXXOYVXSI-STQMWFEESA-N 2 0 246.395 1.094 10 0 BDAERP CCC[NH2+]C[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000053031623 169264367 /nfs/dbraw/zinc/26/43/67/169264367.db2.gz FPHNWBNAXSOPSU-CYBMUJFWSA-N 2 0 236.363 1.205 10 0 BDAERP CCC[NH2+]C[C@]1(C[N@@H+]2CCC[C@@H]2C)CCOC1 ZINC000051205789 169264468 /nfs/dbraw/zinc/26/44/68/169264468.db2.gz FSLMOTZMVSCZMY-KBPBESRZSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000053033157 169264899 /nfs/dbraw/zinc/26/48/99/169264899.db2.gz XFHIWAUJRRMYQF-KGLIPLIRSA-N 2 0 240.391 1.877 10 0 BDAERP CCCO[C@@H]1CCC[N@@H+]([C@@H](CC)CC(N)=[NH2+])C1 ZINC000042422684 169311445 /nfs/dbraw/zinc/31/14/45/169311445.db2.gz YBYFMLLNBMBQML-NWDGAFQWSA-N 2 0 241.379 1.982 10 0 BDAERP CCC[C@@H]([NH3+])[C@@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000036170893 169393070 /nfs/dbraw/zinc/39/30/70/169393070.db2.gz BRDZQRNIGFTPLM-ZIAGYGMSSA-N 2 0 241.423 1.918 10 0 BDAERP Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)cc[nH+]1 ZINC000335578759 384339742 /nfs/dbraw/zinc/33/97/42/384339742.db2.gz GQOVYBUNHSRNAO-QWRGUYRKSA-N 2 0 205.305 1.351 10 0 BDAERP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095068396 384329696 /nfs/dbraw/zinc/32/96/96/384329696.db2.gz JHRQQEBRVZYLKN-JTQLQIEISA-N 2 0 207.321 1.665 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310296942 384750235 /nfs/dbraw/zinc/75/02/35/384750235.db2.gz MHPDAJAMKLSBIX-RWMBFGLXSA-N 2 0 240.391 1.610 10 0 BDAERP CO[C@H](C)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000308549431 384796325 /nfs/dbraw/zinc/79/63/25/384796325.db2.gz SUHWQGLQQVLQLQ-MNOVXSKESA-N 2 0 200.326 1.143 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000259254796 384881175 /nfs/dbraw/zinc/88/11/75/384881175.db2.gz IINWXLCHOQHERU-SECBINFHSA-N 2 0 202.660 1.828 10 0 BDAERP COc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000258881600 384944233 /nfs/dbraw/zinc/94/42/33/384944233.db2.gz KNEJMCGBQFXDAZ-LBPRGKRZSA-N 2 0 220.316 1.394 10 0 BDAERP CC[N@H+](CCO)CCNc1cc[nH+]c(C)c1 ZINC000302381793 384992482 /nfs/dbraw/zinc/99/24/82/384992482.db2.gz DSVJVQFZAVLPAM-UHFFFAOYSA-N 2 0 223.320 1.116 10 0 BDAERP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCSC1 ZINC000336231009 385024418 /nfs/dbraw/zinc/02/44/18/385024418.db2.gz BBTGMBFWNIBQSZ-NWDGAFQWSA-N 2 0 228.405 1.861 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CCOC[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000309185329 385200203 /nfs/dbraw/zinc/20/02/03/385200203.db2.gz FYJQKAWDHRDCHH-FVCCEPFGSA-N 2 0 226.364 1.328 10 0 BDAERP CC[NH+](CC)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000157933047 385311617 /nfs/dbraw/zinc/31/16/17/385311617.db2.gz KLERMYBJLCRHGQ-AWEZNQCLSA-N 2 0 239.407 1.498 10 0 BDAERP CCN1CCC[C@@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000178473029 385286191 /nfs/dbraw/zinc/28/61/91/385286191.db2.gz GAIAFLNSZPSTFJ-QWHCGFSZSA-N 2 0 228.380 1.875 10 0 BDAERP c1ccc(C[N@H+]2CC[C@H](CNC3COC3)C2)cc1 ZINC000309652237 385769581 /nfs/dbraw/zinc/76/95/81/385769581.db2.gz HELXZTHLDZHVEA-CQSZACIVSA-N 2 0 246.354 1.497 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000647803750 385838652 /nfs/dbraw/zinc/83/86/52/385838652.db2.gz AMHLRWRHEPPBDX-WHOHXGKFSA-N 2 0 228.405 1.858 10 0 BDAERP c1[nH]nc([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCCC1 ZINC000216709837 385871447 /nfs/dbraw/zinc/87/14/47/385871447.db2.gz GRKOVEMOVFUWIV-LLVKDONJSA-N 2 0 234.347 1.473 10 0 BDAERP Cc1[nH+]ccc(NC[C@H]2COCC[NH2+]2)c1Cl ZINC000309308771 386004080 /nfs/dbraw/zinc/00/40/80/386004080.db2.gz DSTSLFYUGCFLGK-VIFPVBQESA-N 2 0 241.722 1.444 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000519693569 386528778 /nfs/dbraw/zinc/52/87/78/386528778.db2.gz QUFFYZURDRWWOJ-YNEHKIRRSA-N 2 0 226.364 1.533 10 0 BDAERP COc1cccc([C@@H]([NH3+])CCC[NH3+])c1OC ZINC000575438217 387111318 /nfs/dbraw/zinc/11/13/18/387111318.db2.gz HMCWLDOEJBCWOM-JTQLQIEISA-N 2 0 224.304 1.443 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)ccc(F)c1F ZINC000575438843 387119023 /nfs/dbraw/zinc/11/90/23/387119023.db2.gz CKNJBJDRBWVZCC-MRVPVSSYSA-N 2 0 218.222 1.843 10 0 BDAERP Cc1cc(O)cc(C)c1[C@H]([NH3+])CCC[NH3+] ZINC000575438722 387133598 /nfs/dbraw/zinc/13/35/98/387133598.db2.gz DGXAYPSLVYTUHF-LLVKDONJSA-N 2 0 208.305 1.748 10 0 BDAERP C[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CC[NH2+]C1 ZINC000400437795 387303724 /nfs/dbraw/zinc/30/37/24/387303724.db2.gz NDZLHTQFZCBUQJ-ZYHUDNBSSA-N 2 0 224.373 1.878 10 0 BDAERP C[NH2+][C@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575508164 387369845 /nfs/dbraw/zinc/36/98/45/387369845.db2.gz OOMUTXJGFMZXGF-CABCVRRESA-N 2 0 246.354 1.639 10 0 BDAERP C[C@@]1(C(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC000575517982 387434100 /nfs/dbraw/zinc/43/41/00/387434100.db2.gz YZYJONZFHYDFBN-CYBMUJFWSA-N 2 0 217.316 1.835 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000643456027 387495189 /nfs/dbraw/zinc/49/51/89/387495189.db2.gz UXFAKPYKRWELRY-RVMXOQNASA-N 2 0 226.364 1.268 10 0 BDAERP CC(C)[C@H](CNC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000038040776 387569901 /nfs/dbraw/zinc/56/99/01/387569901.db2.gz TVCIEMPXFFPASJ-AWEZNQCLSA-N 2 0 239.407 1.448 10 0 BDAERP CCC(CC)[C@H](CNC1CC[NH2+]CC1)[NH+](C)C ZINC000038040780 387570209 /nfs/dbraw/zinc/57/02/09/387570209.db2.gz BPXXYXGRONILER-AWEZNQCLSA-N 2 0 241.423 1.694 10 0 BDAERP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000422839624 387728620 /nfs/dbraw/zinc/72/86/20/387728620.db2.gz QWVWDGJRQDMABL-MGPQQGTHSA-N 2 0 239.407 1.591 10 0 BDAERP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)C ZINC000151311113 387815029 /nfs/dbraw/zinc/81/50/29/387815029.db2.gz NCCBSHUSJOYDCO-ZIAGYGMSSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000422966977 387816272 /nfs/dbraw/zinc/81/62/72/387816272.db2.gz AZNCUKGAOTWENV-HSBZDZAISA-N 3 0 239.407 1.578 10 0 BDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000151322907 387818374 /nfs/dbraw/zinc/81/83/74/387818374.db2.gz ZWAYBSZKPKOLLN-CHWSQXEVSA-N 2 0 242.407 1.857 10 0 BDAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000423108527 387893469 /nfs/dbraw/zinc/89/34/69/387893469.db2.gz TXIOGSBDYPXXRR-ZUWCUPBKSA-N 2 0 240.391 1.907 10 0 BDAERP C[C@@H]([NH2+]CCC1(F)CCC1)[C@@H]1CC[NH2+]C1 ZINC000423113897 387897095 /nfs/dbraw/zinc/89/70/95/387897095.db2.gz UWYYKKNMMNHPKP-GHMZBOCLSA-N 2 0 214.328 1.856 10 0 BDAERP C(C[C@H]1CCCO1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168733461 387908018 /nfs/dbraw/zinc/90/80/18/387908018.db2.gz WJHHHPWJZFDHQP-VXGBXAGGSA-N 2 0 212.337 1.287 10 0 BDAERP CC(C)OCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643480772 387942564 /nfs/dbraw/zinc/94/25/64/387942564.db2.gz FFLQMZPUPRSJNR-NEPJUHHUSA-N 2 0 214.353 1.389 10 0 BDAERP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)nc1 ZINC000423161264 387943435 /nfs/dbraw/zinc/94/34/35/387943435.db2.gz INKRFJZRKHXGFZ-STQMWFEESA-N 2 0 233.359 1.520 10 0 BDAERP CC[NH+](CC)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245686370 387971421 /nfs/dbraw/zinc/97/14/21/387971421.db2.gz VGHWQMZJUYDPCV-KGLIPLIRSA-N 2 0 239.407 1.497 10 0 BDAERP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400535356 388012279 /nfs/dbraw/zinc/01/22/79/388012279.db2.gz SZASJZLADMKWLG-CMPLNLGQSA-N 2 0 222.307 1.913 10 0 BDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H](C)O ZINC000086501104 388103763 /nfs/dbraw/zinc/10/37/63/388103763.db2.gz QGTCGHSVMQFRPD-AGIUHOORSA-N 2 0 228.380 1.658 10 0 BDAERP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247073495 388658532 /nfs/dbraw/zinc/65/85/32/388658532.db2.gz OJXRBAYWFUHNMA-MELADBBJSA-N 2 0 242.407 1.857 10 0 BDAERP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564825723 388891863 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C[C@@H]([NH3+])c1c(F)cccc1N1CC[NH+](C)CC1 ZINC000019872026 132328513 /nfs/dbraw/zinc/32/85/13/132328513.db2.gz PMDBLXZNMJUBOF-SNVBAGLBSA-N 2 0 237.322 1.597 10 0 BDAERP CCc1c[nH+]c2ccc(N3CC[NH2+]CC3)cn12 ZINC000036221664 132341052 /nfs/dbraw/zinc/34/10/52/132341052.db2.gz XOQZXBZSFZYDAT-UHFFFAOYSA-N 2 0 230.315 1.306 10 0 BDAERP [NH3+]CCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000049580620 132356305 /nfs/dbraw/zinc/35/63/05/132356305.db2.gz HJIVAWMQJYTONF-UHFFFAOYSA-N 2 0 247.386 1.938 10 0 BDAERP CC[NH2+]Cc1cccnc1N1CC[NH+](CC)CC1 ZINC000051436495 132361047 /nfs/dbraw/zinc/36/10/47/132361047.db2.gz RKWYSMDLPCBCIL-UHFFFAOYSA-N 2 0 248.374 1.333 10 0 BDAERP [NH3+][C@@H]1CC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000071560189 132394944 /nfs/dbraw/zinc/39/49/44/132394944.db2.gz MRJBUNZFLMZWFS-UKRRQHHQSA-N 2 0 245.370 1.688 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220878108 134316389 /nfs/dbraw/zinc/31/63/89/134316389.db2.gz MRARUHCXXPXOHV-KBPBESRZSA-N 2 0 239.407 1.401 10 0 BDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC[NH+](C)C ZINC000252660686 135094778 /nfs/dbraw/zinc/09/47/78/135094778.db2.gz BYFDFENOWKMFSE-KGLIPLIRSA-N 2 0 239.407 1.497 10 0 BDAERP CC(C)[NH2+]CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086929802 135102729 /nfs/dbraw/zinc/10/27/29/135102729.db2.gz VWGKPVIBSBSVEP-CYBMUJFWSA-N 2 0 225.380 1.155 10 0 BDAERP CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000261536820 135173278 /nfs/dbraw/zinc/17/32/78/135173278.db2.gz TUZZSACGNHGNGW-NWDGAFQWSA-N 2 0 208.349 1.718 10 0 BDAERP CCN(Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000261540604 135179769 /nfs/dbraw/zinc/17/97/69/135179769.db2.gz GMXIMDIDLMALRQ-ZDUSSCGKSA-N 2 0 234.347 1.441 10 0 BDAERP CCSCCC[NH2+]C1CCC([NH3+])CC1 ZINC000163911901 135209027 /nfs/dbraw/zinc/20/90/27/135209027.db2.gz BOIWFODKENLGJK-UHFFFAOYSA-N 2 0 216.394 1.989 10 0 BDAERP C[C@@]1(CN2CC[C@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929151 135263427 /nfs/dbraw/zinc/26/34/27/135263427.db2.gz CORDTRADEKJZMB-WCQYABFASA-N 2 0 225.380 1.045 10 0 BDAERP CCC1(C)CCC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262133922 135280449 /nfs/dbraw/zinc/28/04/49/135280449.db2.gz OJKYZMWDFBABTP-NELGMTEASA-N 2 0 240.391 1.515 10 0 BDAERP Cc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000263279474 135344655 /nfs/dbraw/zinc/34/46/55/135344655.db2.gz UAQYVGPLPDLXPB-HUUCEWRRSA-N 2 0 248.370 1.282 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000231296208 135591830 /nfs/dbraw/zinc/59/18/30/135591830.db2.gz QUVPWWZWPVABOV-YWPUVAFDSA-N 2 0 226.364 1.397 10 0 BDAERP Cc1cc(N2CCC3(C2)CC[NH2+]CC3)cc[nH+]1 ZINC000335299338 136008011 /nfs/dbraw/zinc/00/80/11/136008011.db2.gz OHGUMZUFABVBHU-UHFFFAOYSA-N 2 0 231.343 1.970 10 0 BDAERP COCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000160684832 398053589 /nfs/dbraw/zinc/05/35/89/398053589.db2.gz SJMJJQHHCJUTCY-WDEREUQCSA-N 2 0 200.326 1.143 10 0 BDAERP COC[C@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)OC ZINC000665235626 410726847 /nfs/dbraw/zinc/72/68/47/410726847.db2.gz XKQNYQULJLTQNP-AGIUHOORSA-N 2 0 244.379 1.016 10 0 BDAERP C[C@@H]([NH2+]CCc1ccoc1)[C@H]1CC[NH2+]C1 ZINC000665261449 410737138 /nfs/dbraw/zinc/73/71/38/410737138.db2.gz CQFPUIIEMGCFPE-PWSUYJOCSA-N 2 0 208.305 1.410 10 0 BDAERP CC(C)C[NH2+]C[C@@H](C)CN1CCOCC1(C)C ZINC000052546067 167005542 /nfs/dbraw/zinc/00/55/42/167005542.db2.gz LVEOZAJNGDXMAF-CYBMUJFWSA-N 2 0 242.407 1.979 10 0 BDAERP CC(C)[NH2+]CCCN1CC[NH+](CC2CC2)CC1 ZINC000042491050 167101900 /nfs/dbraw/zinc/10/19/00/167101900.db2.gz YBYDYWNXISTCNU-UHFFFAOYSA-N 2 0 239.407 1.402 10 0 BDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CCCCC[NH3+] ZINC000049220663 167394574 /nfs/dbraw/zinc/39/45/74/167394574.db2.gz LJDGWKSNOAXKHI-GFCCVEGCSA-N 2 0 243.395 1.208 10 0 BDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000400927029 411163780 /nfs/dbraw/zinc/16/37/80/411163780.db2.gz HQBNZOWPOCXKLO-QSLWVIQJSA-N 2 0 238.375 1.268 10 0 BDAERP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000656199705 411204462 /nfs/dbraw/zinc/20/44/62/411204462.db2.gz BCURUEGZONNUBU-ZIAGYGMSSA-N 2 0 247.386 1.829 10 0 BDAERP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)o1 ZINC000051692939 411280433 /nfs/dbraw/zinc/28/04/33/411280433.db2.gz JJFSONPADFOJEL-UHFFFAOYSA-N 2 0 208.305 1.948 10 0 BDAERP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000653760097 411333885 /nfs/dbraw/zinc/33/38/85/411333885.db2.gz HAPROPXAPTXAPM-ZDUSSCGKSA-N 2 0 240.391 1.611 10 0 BDAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037643726 170007514 /nfs/dbraw/zinc/00/75/14/170007514.db2.gz PWGSLKFALVHGSU-ZDUSSCGKSA-N 2 0 234.343 1.824 10 0 BDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000037894008 170010024 /nfs/dbraw/zinc/01/00/24/170010024.db2.gz MEAVUXUYKIPSPW-MJBXVCDLSA-N 2 0 240.391 1.611 10 0 BDAERP CC[NH2+]C(C)(C)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000104181863 170107936 /nfs/dbraw/zinc/10/79/36/170107936.db2.gz YOEDIVSVOSEHSF-CYBMUJFWSA-N 2 0 239.407 1.545 10 0 BDAERP CC[NH2+]C1CCN(C[C@H]2CC[N@H+](C)C2)CC1 ZINC000037485133 170108581 /nfs/dbraw/zinc/10/85/81/170108581.db2.gz FVDYJASLNRAUQV-LBPRGKRZSA-N 2 0 225.380 1.012 10 0 BDAERP CC[NH2+]C[C@@H](C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973257 170119195 /nfs/dbraw/zinc/11/91/95/170119195.db2.gz USEUNVSWSRZLJS-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+]C[C@H](C(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000104131392 170120868 /nfs/dbraw/zinc/12/08/68/170120868.db2.gz NLEITTJMDUYTHF-CYBMUJFWSA-N 2 0 241.423 1.647 10 0 BDAERP CC[NH2+]C[C@@]1(C[N@H+](C)[C@@H](C)C2CC2)CCOC1 ZINC000051217589 170121031 /nfs/dbraw/zinc/12/10/31/170121031.db2.gz JULVUHRVYXVJPQ-GXTWGEPZSA-N 2 0 240.391 1.733 10 0 BDAERP CC[NH2+]C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000053033598 170122419 /nfs/dbraw/zinc/12/24/19/170122419.db2.gz QMQGBVIYIFIABQ-CQSZACIVSA-N 3 0 239.407 1.260 10 0 BDAERP CC[NH2+]Cc1cc2c(s1)C[N@H+](C)CC2 ZINC000045206010 170126086 /nfs/dbraw/zinc/12/60/86/170126086.db2.gz XFLOLWOZSOUBFQ-UHFFFAOYSA-N 2 0 210.346 1.846 10 0 BDAERP CC[NH2+]Cc1cccc(OCCC[NH+](C)C)n1 ZINC000051549241 170128661 /nfs/dbraw/zinc/12/86/61/170128661.db2.gz DXDOMSQLFJWNMT-UHFFFAOYSA-N 2 0 237.347 1.522 10 0 BDAERP CC[NH2+][C@H]1CC[N@H+](CC2CCOCC2)[C@H](C)C1 ZINC000104193759 170166870 /nfs/dbraw/zinc/16/68/70/170166870.db2.gz ZQSCLSIUWGHPNX-OCCSQVGLSA-N 2 0 240.391 1.875 10 0 BDAERP CC[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)OC ZINC000308492670 170830137 /nfs/dbraw/zinc/83/01/37/170830137.db2.gz AKGOWLSFBBVFMC-MNOVXSKESA-N 2 0 200.326 1.143 10 0 BDAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](CCO)C2CC2)C1 ZINC000053880318 171056259 /nfs/dbraw/zinc/05/62/59/171056259.db2.gz PJPLCCFFPHBDGV-DYEKYZERSA-N 2 0 240.391 1.597 10 0 BDAERP CC[C@@H]1CN(CC[NH+](CC)CC)[C@H](CC)C[NH2+]1 ZINC000083369854 171080745 /nfs/dbraw/zinc/08/07/45/171080745.db2.gz XCQLGPAKRJINDQ-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC000062841794 171110548 /nfs/dbraw/zinc/11/05/48/171110548.db2.gz WNIGOMDXZNUZHG-QWHCGFSZSA-N 2 0 240.391 1.875 10 0 BDAERP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000054242727 172987276 /nfs/dbraw/zinc/98/72/76/172987276.db2.gz AAVLVDQCFWNDDD-STQMWFEESA-N 2 0 226.364 1.221 10 0 BDAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1CCOCC1 ZINC000052205567 173008609 /nfs/dbraw/zinc/00/86/09/173008609.db2.gz AEWLBGFKRWTFBH-ZDUSSCGKSA-N 2 0 226.364 1.629 10 0 BDAERP CN1CCC[N@H+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070503079 173015170 /nfs/dbraw/zinc/01/51/70/173015170.db2.gz XGNXAXRQEOMARL-OLZOCXBDSA-N 2 0 225.380 1.141 10 0 BDAERP CN1CCC[N@H+](CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764295 173015229 /nfs/dbraw/zinc/01/52/29/173015229.db2.gz TYMGFWIOFYVXIQ-ZDUSSCGKSA-N 2 0 225.380 1.156 10 0 BDAERP C[N@@H+]1CCCN([C@H](C[NH3+])CC(C)(C)C)CC1 ZINC000061839712 173016925 /nfs/dbraw/zinc/01/69/25/173016925.db2.gz CQGVXVHZOYDTLK-LBPRGKRZSA-N 2 0 227.396 1.387 10 0 BDAERP C[N@@H+]1CCC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172564 173041763 /nfs/dbraw/zinc/04/17/63/173041763.db2.gz ABXVWHPGMAIDNJ-CYBMUJFWSA-N 2 0 226.364 1.344 10 0 BDAERP CN(Cc1ccc(C[NH3+])o1)[C@H]1CCC[N@H+](C)C1 ZINC000053249418 173043413 /nfs/dbraw/zinc/04/34/13/173043413.db2.gz LSLVSDSTZKTAII-NSHDSACASA-N 2 0 237.347 1.264 10 0 BDAERP CN1CC[NH+]([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037157159 173094799 /nfs/dbraw/zinc/09/47/99/173094799.db2.gz STUWIXWQZVSGGK-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP C[NH2+]CC1(C[N@H+](C)C[C@@H]2C[C@H]2C)CCOCC1 ZINC000104426974 173337518 /nfs/dbraw/zinc/33/75/18/173337518.db2.gz VTQKSXHILCSAMH-OLZOCXBDSA-N 2 0 240.391 1.590 10 0 BDAERP C[NH2+]CC1(C[N@H+](CCO)C(C)C)CCCCC1 ZINC000051284646 173337799 /nfs/dbraw/zinc/33/77/99/173337799.db2.gz DCBPQLAGQOPMTD-UHFFFAOYSA-N 2 0 242.407 1.859 10 0 BDAERP C[NH2+]CC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000051756200 173338694 /nfs/dbraw/zinc/33/86/94/173338694.db2.gz ZRVUZUJBDZHBSE-GFCCVEGCSA-N 2 0 212.337 1.097 10 0 BDAERP C[NH2+]CCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000053296467 173360993 /nfs/dbraw/zinc/36/09/93/173360993.db2.gz ZSVQNCDYCUTWDI-UHFFFAOYSA-N 2 0 239.388 1.672 10 0 BDAERP C[NH2+]C[C@@H](C)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973748 173363925 /nfs/dbraw/zinc/36/39/25/173363925.db2.gz ZIVQOPVBMJMLMS-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000095075955 173370934 /nfs/dbraw/zinc/37/09/34/173370934.db2.gz XXYORQBLIVDNEL-KBPBESRZSA-N 2 0 234.343 1.089 10 0 BDAERP C[NH2+]Cc1cccc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654315 173389875 /nfs/dbraw/zinc/38/98/75/173389875.db2.gz ITPWWRFRGWJEHA-ZDUSSCGKSA-N 2 0 248.374 1.331 10 0 BDAERP C[NH2+]Cc1ccccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062967107 173390374 /nfs/dbraw/zinc/39/03/74/173390374.db2.gz UKYNEMLZOAZZRG-CYBMUJFWSA-N 2 0 233.359 1.546 10 0 BDAERP C[NH2+]Cc1cccnc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191645 173391636 /nfs/dbraw/zinc/39/16/36/173391636.db2.gz JTTFARBZRWIFTD-LBPRGKRZSA-N 2 0 248.374 1.189 10 0 BDAERP C[NH2+]Cc1occc1C[N@@H+]1CCCSCC1 ZINC000052371056 173399750 /nfs/dbraw/zinc/39/97/50/173399750.db2.gz IJYSGAODXXWUBX-UHFFFAOYSA-N 2 0 240.372 1.938 10 0 BDAERP COC1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000037266411 174028795 /nfs/dbraw/zinc/02/87/95/174028795.db2.gz VZMOIKHGFHFKEK-LBPRGKRZSA-N 2 0 226.364 1.629 10 0 BDAERP COCC[N@@H+](CCC(N)=[NH2+])CCC(C)C ZINC000082425057 174289569 /nfs/dbraw/zinc/28/95/69/174289569.db2.gz QGYLQTVZKWYTFI-UHFFFAOYSA-N 2 0 215.341 1.307 10 0 BDAERP COCC[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053498868 174332079 /nfs/dbraw/zinc/33/20/79/174332079.db2.gz RGPIGOQDOHEONQ-ZIAGYGMSSA-N 2 0 242.407 1.981 10 0 BDAERP COc1ccc(C)cc1[C@H](CC[NH3+])C[NH+](C)C ZINC000076619639 175082470 /nfs/dbraw/zinc/08/24/70/175082470.db2.gz HLWYKDRSWJBPPV-GFCCVEGCSA-N 2 0 236.359 1.998 10 0 BDAERP COc1cccc(CC[NH+]2CCC([NH3+])CC2)c1 ZINC000057524600 175251601 /nfs/dbraw/zinc/25/16/01/175251601.db2.gz VYYYTHIRMYQZTC-UHFFFAOYSA-N 2 0 234.343 1.661 10 0 BDAERP COc1ccccc1C[N@H+](C)C[C@H](C)C[NH3+] ZINC000042441506 175324498 /nfs/dbraw/zinc/32/44/98/175324498.db2.gz KVFBNVVHHBUMAG-LLVKDONJSA-N 2 0 222.332 1.722 10 0 BDAERP COc1ccccc1C[C@@H](C[NH3+])C[NH+]1CCCC1 ZINC000011800174 175333172 /nfs/dbraw/zinc/33/31/72/175333172.db2.gz KSKRIOFBSSLSAL-ZDUSSCGKSA-N 2 0 248.370 1.908 10 0 BDAERP CSC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000564823509 322931376 /nfs/dbraw/zinc/93/13/76/322931376.db2.gz ABXQVZZDHRJJRT-QWRGUYRKSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@@H]1CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)C1 ZINC000038117165 176134098 /nfs/dbraw/zinc/13/40/98/176134098.db2.gz NDPXRTUBVKDYQV-CHWSQXEVSA-N 2 0 226.364 1.223 10 0 BDAERP C[C@@H]1CCN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000044538703 176171899 /nfs/dbraw/zinc/17/18/99/176171899.db2.gz UUUJKKJBLGYMPV-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])N1Cc1ccccc1 ZINC000039318914 176202467 /nfs/dbraw/zinc/20/24/67/176202467.db2.gz PQXFFBLKACKRKM-YPMHNXCESA-N 2 0 204.317 1.998 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccncc1 ZINC000042427324 176202625 /nfs/dbraw/zinc/20/26/25/176202625.db2.gz DHPMVNHQRDZMKX-YPMHNXCESA-N 2 0 219.332 1.641 10 0 BDAERP C[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C2CC[NH+](C)CC2)C1 ZINC000052684818 176229370 /nfs/dbraw/zinc/22/93/70/176229370.db2.gz CBGJTHCPCCMLGA-KWCYVHTRSA-N 2 0 239.407 1.528 10 0 BDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+](C)C1 ZINC000037646708 176278846 /nfs/dbraw/zinc/27/88/46/176278846.db2.gz GHVQRJOPFQJKEL-MQYQWHSLSA-N 2 0 239.407 1.256 10 0 BDAERP C[C@@H]1C[N@H+](CCCC[NH2+]C(C)(C)C)CCN1C ZINC000104136173 176288053 /nfs/dbraw/zinc/28/80/53/176288053.db2.gz KXLGGASCIDXVED-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP C[C@@H]1C[NH+](CCC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000052764274 176289136 /nfs/dbraw/zinc/28/91/36/176289136.db2.gz KLZRNZMANCKQQR-UPJWGTAASA-N 2 0 226.364 1.628 10 0 BDAERP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918605 176292179 /nfs/dbraw/zinc/29/21/79/176292179.db2.gz RHDWHPUSHFLURN-OLZOCXBDSA-N 2 0 226.364 1.629 10 0 BDAERP C[C@@H]1C[NH2+]CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000049662869 176323788 /nfs/dbraw/zinc/32/37/88/176323788.db2.gz BGRDTBHFVXRNGV-NEPJUHHUSA-N 2 0 212.337 1.097 10 0 BDAERP C[C@@H]1C[NH2+]CCCN([C@@H]2CC[N@@H+]3CCC[C@H]23)C1 ZINC000044390376 176324696 /nfs/dbraw/zinc/32/46/96/176324696.db2.gz LJTWAEYTGJEPAP-MGPQQGTHSA-N 2 0 237.391 1.155 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCc2ccccn2)C1 ZINC000049666563 176329357 /nfs/dbraw/zinc/32/93/57/176329357.db2.gz OOSLKUOTXNVDSL-ZIAGYGMSSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccccn1 ZINC000049712387 176371645 /nfs/dbraw/zinc/37/16/45/176371645.db2.gz QKEDKEILPSHPDK-NEPJUHHUSA-N 2 0 219.332 1.436 10 0 BDAERP C[C@H](C[NH3+])C[N@H+](C)CCc1ccccc1F ZINC000049819803 176658321 /nfs/dbraw/zinc/65/83/21/176658321.db2.gz VINAZAOPZRBRNY-LLVKDONJSA-N 2 0 224.323 1.895 10 0 BDAERP C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256818 177035173 /nfs/dbraw/zinc/03/51/73/177035173.db2.gz CAIDLIRCOKEFOF-MNOVXSKESA-N 2 0 207.321 1.746 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCN1CCC[NH2+]CC1 ZINC000061274901 177075726 /nfs/dbraw/zinc/07/57/26/177075726.db2.gz HVCVCOKHFXGETA-ZDUSSCGKSA-N 2 0 225.380 1.156 10 0 BDAERP C[C@H]1CCN(C2CC[NH+](C)CC2)CC[C@H](C)[NH2+]1 ZINC000049665936 177157778 /nfs/dbraw/zinc/15/77/78/177157778.db2.gz WBBUZQMNIMVBKX-STQMWFEESA-N 2 0 239.407 1.543 10 0 BDAERP C[C@@H]1C[NH2+][C@@H](C)CCN([C@@H]2CCC[N@H+](C)C2)C1 ZINC000049667042 177170168 /nfs/dbraw/zinc/17/01/68/177170168.db2.gz LAWJBYBXPVUVRQ-HZSPNIEDSA-N 2 0 239.407 1.401 10 0 BDAERP C[C@H]1CN(C[C@@H](C[NH3+])c2ccccc2)CC[N@@H+]1C ZINC000070942704 177255227 /nfs/dbraw/zinc/25/52/27/177255227.db2.gz SODBZJJJCKKAED-DZGCQCFKSA-N 2 0 247.386 1.365 10 0 BDAERP C[C@H]1C[N@H+](C[C@@H]2CCCCC[C@@H]2[NH3+])CCN1C ZINC000104143120 177257410 /nfs/dbraw/zinc/25/74/10/177257410.db2.gz RIXFDPNVBCYGLQ-IHRRRGAJSA-N 2 0 239.407 1.530 10 0 BDAERP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C[NH3+] ZINC000035782868 177266264 /nfs/dbraw/zinc/26/62/64/177266264.db2.gz CDFIKLOZWSRSTN-NEPJUHHUSA-N 2 0 234.343 1.755 10 0 BDAERP C[C@H]1C[NH+]=C(NCC2CC[NH+](C)CC2)S1 ZINC000044526494 177281235 /nfs/dbraw/zinc/28/12/35/177281235.db2.gz AVJQUHJBUBKZAG-VIFPVBQESA-N 2 0 227.377 1.409 10 0 BDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCOC2CC[NH2+]CC2)C1 ZINC000104386806 177313704 /nfs/dbraw/zinc/31/37/04/177313704.db2.gz JHIKVTOEOWDNHD-BETUJISGSA-N 2 0 240.391 1.733 10 0 BDAERP C[C@H]1C[C@H](C)CN(C2(C[NH3+])CC[NH+](C)CC2)C1 ZINC000019506690 177357682 /nfs/dbraw/zinc/35/76/82/177357682.db2.gz DTDOPTQJZFCQTQ-STQMWFEESA-N 2 0 239.407 1.387 10 0 BDAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccncc1 ZINC000049712964 177363982 /nfs/dbraw/zinc/36/39/82/177363982.db2.gz CFKBVIKHHCBRTB-WCQYABFASA-N 2 0 219.332 1.436 10 0 BDAERP C[C@H]([NH2+]CCCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000400340497 225015789 /nfs/dbraw/zinc/01/57/89/225015789.db2.gz GNECFCXCXJXGQD-IUCAKERBSA-N 2 0 224.270 1.917 10 0 BDAERP C[C@H]([NH2+]CC1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000400328156 226340692 /nfs/dbraw/zinc/34/06/92/226340692.db2.gz CAXMVENLKQNRKP-JQWIXIFHSA-N 2 0 228.405 1.717 10 0 BDAERP COCC1(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CCC1 ZINC000400377290 226341936 /nfs/dbraw/zinc/34/19/36/226341936.db2.gz JBJDSSUPCDIZJQ-RYUDHWBXSA-N 2 0 226.364 1.391 10 0 BDAERP Cc1cccnc1CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000404961070 229241128 /nfs/dbraw/zinc/24/11/28/229241128.db2.gz VJINBZNOCLJREW-CHWSQXEVSA-N 2 0 233.359 1.520 10 0 BDAERP CC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[C@@H]1[NH3+] ZINC000229576779 487926180 /nfs/dbraw/zinc/92/61/80/487926180.db2.gz DKEKWDAYRNWVIK-YPMHNXCESA-N 2 0 219.332 1.954 10 0 BDAERP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000562958365 323035217 /nfs/dbraw/zinc/03/52/17/323035217.db2.gz CGUJUMQQLUUZJC-ZDEQEGDKSA-N 2 0 240.391 1.778 10 0 BDAERP C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000570663830 323066337 /nfs/dbraw/zinc/06/63/37/323066337.db2.gz FNUGBPQFOBXPFL-XQQFMLRXSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@H]([NH2+]C[C@@]1(C)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000570663829 323066359 /nfs/dbraw/zinc/06/63/59/323066359.db2.gz FNUGBPQFOBXPFL-RWMBFGLXSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@H]([NH2+]CCCc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000571669337 323177040 /nfs/dbraw/zinc/17/70/40/323177040.db2.gz HQAOJHAJFIFDCO-UONOGXRCSA-N 2 0 247.386 1.992 10 0 BDAERP CCC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000565769204 325953613 /nfs/dbraw/zinc/95/36/13/325953613.db2.gz QUPCGDVJTGLLLK-MCIONIFRSA-N 2 0 242.407 1.763 10 0 BDAERP CC[NH+](CC)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089605 325993150 /nfs/dbraw/zinc/99/31/50/325993150.db2.gz VOOCMBUFWYKNQI-STQMWFEESA-N 2 0 227.396 1.306 10 0 BDAERP COc1ccncc1CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566732301 326077412 /nfs/dbraw/zinc/07/74/12/326077412.db2.gz WWOPZIQZEOKJRI-VXGBXAGGSA-N 2 0 249.358 1.568 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]1CC[NH2+]C1 ZINC000086188803 487489549 /nfs/dbraw/zinc/48/95/49/487489549.db2.gz ZWDCSFBMVIIMOO-OLZOCXBDSA-N 2 0 225.380 1.012 10 0 BDAERP CC1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000309454697 491055344 /nfs/dbraw/zinc/05/53/44/491055344.db2.gz QQGXCZQPJRTWSE-LBPRGKRZSA-N 2 0 226.364 1.223 10 0 BDAERP CCC[C@H]1CCOC2(CC[NH+](C)CC2)[NH2+]1 ZINC000757150528 582534948 /nfs/dbraw/zinc/53/49/48/582534948.db2.gz YTZJTYRBDPNLRG-NSHDSACASA-N 2 0 212.337 1.587 10 0 BDAERP CCC[C@@H]1CC[NH2+][C@]2(CCC[N@H+](C)CC2)O1 ZINC000757153313 582537506 /nfs/dbraw/zinc/53/75/06/582537506.db2.gz UPZNATRRIKLKEM-CHWSQXEVSA-N 2 0 226.364 1.977 10 0 BDAERP [NH3+]Cc1ccc([C@@H]2[NH2+]CCC[C@H]2C[NH3+])cc1 ZINC000757217833 582561940 /nfs/dbraw/zinc/56/19/40/582561940.db2.gz SUYSEIQXWSAUBV-STQMWFEESA-N 3 0 219.332 1.145 10 0 BDAERP C[C@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400318150 533855336 /nfs/dbraw/zinc/85/53/36/533855336.db2.gz AULDSAYYCLLPOH-QWHCGFSZSA-N 2 0 239.407 1.448 10 0 BDAERP C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400444300 533873436 /nfs/dbraw/zinc/87/34/36/533873436.db2.gz PEMIAPLNVVDKOQ-GXTWGEPZSA-N 2 0 218.344 1.817 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCS1)[C@H]1CC[NH2+]C1 ZINC000400572023 533882066 /nfs/dbraw/zinc/88/20/66/533882066.db2.gz NYEYRNNRSLKPRV-DCAQKATOSA-N 2 0 214.378 1.470 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000400422386 533909527 /nfs/dbraw/zinc/90/95/27/533909527.db2.gz XJIHDSXURSAFAA-NOOOWODRSA-N 2 0 212.337 1.142 10 0 BDAERP CC(C)COCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400722225 528095264 /nfs/dbraw/zinc/09/52/64/528095264.db2.gz OUPTWPGEWCXLBH-STQMWFEESA-N 2 0 228.380 1.637 10 0 BDAERP CC[N@H+](CCN[C@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400501620 528518415 /nfs/dbraw/zinc/51/84/15/528518415.db2.gz GWMPPTWFWQULMT-NEPJUHHUSA-N 2 0 225.380 1.058 10 0 BDAERP CCOCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400769766 528568527 /nfs/dbraw/zinc/56/85/27/528568527.db2.gz ZVNWEWPGOCYCNS-VXGBXAGGSA-N 2 0 228.380 1.637 10 0 BDAERP CC(C)[N@H+](C)CCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400425270 528817817 /nfs/dbraw/zinc/81/78/17/528817817.db2.gz YITXVUWVORYLEW-CHWSQXEVSA-N 2 0 227.396 1.304 10 0 BDAERP CC(C)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226859263 535133930 /nfs/dbraw/zinc/13/39/30/535133930.db2.gz AVDWWHNNRHJAAA-UONOGXRCSA-N 2 0 239.407 1.258 10 0 BDAERP COC[C@H](C)[N@@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757125643 582500069 /nfs/dbraw/zinc/50/00/69/582500069.db2.gz FERQYMNDSKTXDE-FRRDWIJNSA-N 2 0 226.364 1.485 10 0 BDAERP CCOCCC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757130930 582504836 /nfs/dbraw/zinc/50/48/36/582504836.db2.gz OOKVIXREZFHBPZ-UHFFFAOYSA-N 2 0 226.364 1.631 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CC(C)(C)[C@@H](C)O2 ZINC000757141318 582521976 /nfs/dbraw/zinc/52/19/76/582521976.db2.gz AAMKAQYKPYPBEO-LLVKDONJSA-N 2 0 226.364 1.833 10 0 BDAERP CC(C)[C@@H]1C[NH2+][C@]2(CCC[N@H+](C)CC2)OC1 ZINC000757145950 582528958 /nfs/dbraw/zinc/52/89/58/582528958.db2.gz JIHZPMPECKMTLY-CHWSQXEVSA-N 2 0 226.364 1.690 10 0 BDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757148935 582532752 /nfs/dbraw/zinc/53/27/52/582532752.db2.gz 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538912430 /nfs/dbraw/zinc/91/24/30/538912430.db2.gz LZRLBOCEMINQDE-STQMWFEESA-N 2 0 204.317 1.653 10 0 BDAERP Cc1ccc(F)cc1[C@H]1C[NH2+]C[C@]1(C)N ZINC000685965669 538912584 /nfs/dbraw/zinc/91/25/84/538912584.db2.gz OGNGHKJBJXAVQB-NEPJUHHUSA-N 2 0 208.280 1.538 10 0 BDAERP CCC(CC)(CN)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063120331 168323405 /nfs/dbraw/zinc/32/34/05/168323405.db2.gz DWJXGQBLPSSUIR-UHFFFAOYSA-N 2 0 241.423 1.778 10 0 BDAERP CCC(CC)(C[NH2+]C)CN1CC[C@@H]([NH+](C)C)C1 ZINC000062969986 168325462 /nfs/dbraw/zinc/32/54/62/168325462.db2.gz BKTDPPDLPDQAHW-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000164111352 538931294 /nfs/dbraw/zinc/93/12/94/538931294.db2.gz LANGQEVFDAMGFD-YPMHNXCESA-N 2 0 242.407 1.713 10 0 BDAERP COCC(C)(C)[NH2+]C[C@@H]1CCCN1C ZINC000386289424 398264982 /nfs/dbraw/zinc/26/49/82/398264982.db2.gz HLYMAZJCKGCDLC-JTQLQIEISA-N 2 0 200.326 1.095 10 0 BDAERP C=Cc1ccc(CN(CC[NH3+])CC[NH3+])cc1 ZINC000143997862 342693598 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343838082 /nfs/dbraw/zinc/83/80/82/343838082.db2.gz YXFZTBPJGIGWEJ-VXGBXAGGSA-N 2 0 212.337 1.084 10 0 BDAERP C1C[C@@H](N2CC[NH2+]CC2)[C@@H]([NH+]2CCCCC2)C1 ZINC000409439335 343846910 /nfs/dbraw/zinc/84/69/10/343846910.db2.gz GTZPOEMCPAMOOL-UONOGXRCSA-N 2 0 237.391 1.299 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccnc(Cl)n2)CC1 ZINC000257353713 344106217 /nfs/dbraw/zinc/10/62/17/344106217.db2.gz SSPBJOOBDAZPHR-KYZUINATSA-N 2 0 240.738 1.490 10 0 BDAERP CC[NH+]1CCC(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000094088476 344325254 /nfs/dbraw/zinc/32/52/54/344325254.db2.gz CNTWRYDCJHWSTJ-UHFFFAOYSA-N 3 0 239.407 1.578 10 0 BDAERP [NH3+][C@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000220689299 344567343 /nfs/dbraw/zinc/56/73/43/344567343.db2.gz LCEKUMGOIZRVDC-WCBMZHEXSA-N 2 0 200.351 1.351 10 0 BDAERP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998193 345198388 /nfs/dbraw/zinc/19/83/88/345198388.db2.gz CBHBPTDMESUQOY-LDYMZIIASA-N 2 0 222.336 1.053 10 0 BDAERP 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236.359 1.961 10 0 BDAERP CCC[NH+](CCC)C[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378718 537970875 /nfs/dbraw/zinc/97/08/75/537970875.db2.gz JTJZMFOBHJIMGP-OLZOCXBDSA-N 2 0 227.396 1.293 10 0 BDAERP CC1CC[NH+](Cc2cncc(C[NH3+])c2)CC1 ZINC000669379175 537975934 /nfs/dbraw/zinc/97/59/34/537975934.db2.gz VSRMNPPNMZCZCN-UHFFFAOYSA-N 2 0 219.332 1.772 10 0 BDAERP Cc1cccc(C[NH+]2CCN([C@@H](C)C[NH3+])CC2)c1 ZINC000104069663 179077740 /nfs/dbraw/zinc/07/77/40/179077740.db2.gz UPYHDHHPMIAVPP-AWEZNQCLSA-N 2 0 247.386 1.460 10 0 BDAERP Cc1nc(C[NH3+])sc1[C@H]1CC[NH2+][C@H](C)C1 ZINC000669379563 537979822 /nfs/dbraw/zinc/97/98/22/537979822.db2.gz FLZLIRBYKNZPAT-APPZFPTMSA-N 2 0 225.361 1.766 10 0 BDAERP Cc1nc(C[NH3+])sc1[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669379566 537979999 /nfs/dbraw/zinc/97/99/99/537979999.db2.gz FLZLIRBYKNZPAT-VXNVDRBHSA-N 2 0 225.361 1.766 10 0 BDAERP COCCC[NH2+][C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241369 537978890 /nfs/dbraw/zinc/97/88/90/537978890.db2.gz 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ZINC000095072131 181341406 /nfs/dbraw/zinc/34/14/06/181341406.db2.gz HRKRHXHZODRKNS-UHFFFAOYSA-N 2 0 221.304 1.057 10 0 BDAERP [NH3+]C1CCC([NH2+]C2CCSCC2)CC1 ZINC000051693817 181341598 /nfs/dbraw/zinc/34/15/98/181341598.db2.gz MSIPSPCWDJWCFP-UHFFFAOYSA-N 2 0 214.378 1.742 10 0 BDAERP [NH3+]C1CC[NH+]([C@H]2CCCSC2)CC1 ZINC000061590653 181344515 /nfs/dbraw/zinc/34/45/15/181344515.db2.gz XVKPKNHQOIHTNJ-JTQLQIEISA-N 2 0 200.351 1.305 10 0 BDAERP [NH3+]C1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000051086762 181344919 /nfs/dbraw/zinc/34/49/19/181344919.db2.gz OUVVFABUXCGNOQ-CYBMUJFWSA-N 2 0 232.327 1.413 10 0 BDAERP C[C@H](C[NH+](C)C)NC1=[NH+]C[C@H](C)S1 ZINC000130673931 364014761 /nfs/dbraw/zinc/01/47/61/364014761.db2.gz NIDARMVLJRDORW-SFYZADRCSA-N 2 0 201.339 1.017 10 0 BDAERP CCCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630354780 364077835 /nfs/dbraw/zinc/07/78/35/364077835.db2.gz AYCMXHCWESRCDL-MNOVXSKESA-N 2 0 200.326 1.225 10 0 BDAERP [NH3+]CC1(C[N@@H+]2CCCC[C@@H]2CO)CCCC1 ZINC000051256742 181358648 /nfs/dbraw/zinc/35/86/48/181358648.db2.gz TZRTZRWBGWLNSW-GFCCVEGCSA-N 2 0 226.364 1.352 10 0 BDAERP Cc1cc(N2CCCCC[C@H]([NH3+])C2)ncn1 ZINC000630551140 364245170 /nfs/dbraw/zinc/24/51/70/364245170.db2.gz ZYUXXRTUXKOYCF-NSHDSACASA-N 2 0 220.320 1.493 10 0 BDAERP Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)cc[nH+]1 ZINC000630572238 364268126 /nfs/dbraw/zinc/26/81/26/364268126.db2.gz QFYGPQJYORMMHP-GXSJLCMTSA-N 2 0 205.305 1.421 10 0 BDAERP CCn1ccnc1-c1cc(C[NH3+])ccc1N ZINC000669380599 541437084 /nfs/dbraw/zinc/43/70/84/541437084.db2.gz RWAWLQFLVKRCQC-UHFFFAOYSA-N 2 0 216.288 1.611 10 0 BDAERP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574392275 365050696 /nfs/dbraw/zinc/05/06/96/365050696.db2.gz LAWZFFDSOMYVQW-WRWGMCAJSA-N 2 0 246.420 1.077 10 0 BDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000574392273 365050886 /nfs/dbraw/zinc/05/08/86/365050886.db2.gz LAWZFFDSOMYVQW-NNYUYHANSA-N 2 0 246.420 1.077 10 0 BDAERP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386017492 367898585 /nfs/dbraw/zinc/89/85/85/367898585.db2.gz NXMMKXIXEMSACB-IHRRRGAJSA-N 2 0 239.407 1.591 10 0 BDAERP COCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000568974421 326384265 /nfs/dbraw/zinc/38/42/65/326384265.db2.gz QOPUXISGBUCZHX-STQMWFEESA-N 2 0 240.391 1.781 10 0 BDAERP C[C@H]1CSCCN1C[C@@]1(C)CCC[NH2+]1 ZINC000227088559 371780974 /nfs/dbraw/zinc/78/09/74/371780974.db2.gz AHRFEUPPIRJADD-WDEREUQCSA-N 2 0 214.378 1.566 10 0 BDAERP CC[C@H](C(N)=[NH2+])N1CCSC(C)(C)C1 ZINC000133322576 372022070 /nfs/dbraw/zinc/02/20/70/372022070.db2.gz HBKGHVNJMKYDIG-MRVPVSSYSA-N 2 0 215.366 1.528 10 0 BDAERP C[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631836888 372624700 /nfs/dbraw/zinc/62/47/00/372624700.db2.gz IPJVBNVXVQCSHA-OCCSQVGLSA-N 2 0 218.344 1.756 10 0 BDAERP CCCCOCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842240 372641607 /nfs/dbraw/zinc/64/16/07/372641607.db2.gz XKSLLMTXYADUND-RYUDHWBXSA-N 2 0 214.353 1.330 10 0 BDAERP CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049221285 169006893 /nfs/dbraw/zinc/00/68/93/169006893.db2.gz DQCUHDNLIKWSDJ-NWDGAFQWSA-N 2 0 243.395 1.206 10 0 BDAERP CCCC[C@H]([NH3+])CN1CC[C@H]([NH+](CC)CC)C1 ZINC000104179947 169008688 /nfs/dbraw/zinc/00/86/88/169008688.db2.gz LXNVJBQLSAXUSM-KBPBESRZSA-N 2 0 241.423 1.920 10 0 BDAERP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128943888 183181195 /nfs/dbraw/zinc/18/11/95/183181195.db2.gz OFOYHEZLQGIHIM-KGLIPLIRSA-N 2 0 234.343 1.452 10 0 BDAERP CCCN(CC[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000037539285 169157338 /nfs/dbraw/zinc/15/73/38/169157338.db2.gz LRZZFKRAJTVWIA-UHFFFAOYSA-N 2 0 239.407 1.546 10 0 BDAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccoc1 ZINC000063047945 169158580 /nfs/dbraw/zinc/15/85/80/169158580.db2.gz HYDXXOBTDRVFBN-CYBMUJFWSA-N 2 0 239.363 1.553 10 0 BDAERP CCC[NH+]1CCC(N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000049557857 169187201 /nfs/dbraw/zinc/18/72/01/169187201.db2.gz ILEGOAYJWDOBPY-GFCCVEGCSA-N 2 0 225.380 1.155 10 0 BDAERP CCC[NH+]1CCN(C[C@@H]2CCC[C@H]2[NH2+]C)CC1 ZINC000053860723 169203110 /nfs/dbraw/zinc/20/31/10/169203110.db2.gz IZPDYOCLQMCIQE-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP CCC[NH+]1CCN(CC2(C[NH3+])CCCC2)CC1 ZINC000051207456 169203175 /nfs/dbraw/zinc/20/31/75/169203175.db2.gz UEOIUZZEMAWMOB-UHFFFAOYSA-N 2 0 239.407 1.533 10 0 BDAERP CCC[NH+]1CCN([C@H](C[NH3+])C(CC)CC)CC1 ZINC000022215892 169203799 /nfs/dbraw/zinc/20/37/99/169203799.db2.gz VDSTXAVUTBLDSA-CQSZACIVSA-N 2 0 241.423 1.778 10 0 BDAERP CCC[NH2+]CCC[N@H+](CCCOC)CCOC ZINC000042424586 169256937 /nfs/dbraw/zinc/25/69/37/169256937.db2.gz IUAGAEGZKOVALN-UHFFFAOYSA-N 2 0 246.395 1.361 10 0 BDAERP CCC[NH2+]CC[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000052419954 169260088 /nfs/dbraw/zinc/26/00/88/169260088.db2.gz QKIHXFHDFULWBV-CYBMUJFWSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)[C@@H]2CCCO2)C1 ZINC000053031167 169264921 /nfs/dbraw/zinc/26/49/21/169264921.db2.gz VODDZMXKMMNWLM-MJBXVCDLSA-N 2 0 240.391 1.875 10 0 BDAERP CCC[NH2+][C@@H](CCC)CN1CC[C@H]([NH+](C)C)C1 ZINC000062965149 169278376 /nfs/dbraw/zinc/27/83/76/169278376.db2.gz WWARMHXZQFSBLW-KBPBESRZSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@H+](C)CCO ZINC000053869786 169292330 /nfs/dbraw/zinc/29/23/30/169292330.db2.gz SXHVGSBSQLQDLN-MJBXVCDLSA-N 2 0 242.407 1.715 10 0 BDAERP CCC[C@@H](C)[NH2+]CCN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053388477 169370162 /nfs/dbraw/zinc/37/01/62/169370162.db2.gz AHPBGLVBJCLCQO-ZIAGYGMSSA-N 2 0 241.423 1.791 10 0 BDAERP CCC[C@@H]([NH3+])[C@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188693 169392698 /nfs/dbraw/zinc/39/26/98/169392698.db2.gz XWDGTZFHIIBRLF-MCIONIFRSA-N 2 0 241.423 1.776 10 0 BDAERP CCC[C@@H]([NH3+])CN1CCCO[C@H](C)C1 ZINC000061916940 169392888 /nfs/dbraw/zinc/39/28/88/169392888.db2.gz GMGQQPNYXYVHIZ-GHMZBOCLSA-N 2 0 200.326 1.225 10 0 BDAERP O=C(C[NH2+]CC1CC[NH2+]CC1)c1ccco1 ZINC000095072816 384344749 /nfs/dbraw/zinc/34/47/49/384344749.db2.gz MBKPWVNNJNUPPD-UHFFFAOYSA-N 2 0 222.288 1.052 10 0 BDAERP Cc1c[nH+]ccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335581977 384346635 /nfs/dbraw/zinc/34/66/35/384346635.db2.gz OUDLGNCZNCFFCX-GHMZBOCLSA-N 2 0 205.305 1.351 10 0 BDAERP C[NH+](C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000095074232 384351165 /nfs/dbraw/zinc/35/11/65/384351165.db2.gz MGWVTGRKKDEHIA-CABCVRRESA-N 2 0 248.370 1.431 10 0 BDAERP C[C@@H]([NH3+])[C@@H](c1ccsc1)n1ccnc1 ZINC000043124107 384495051 /nfs/dbraw/zinc/49/50/51/384495051.db2.gz QGTOEWALWLJAQS-SCZZXKLOSA-N 2 0 207.302 1.881 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]CC(=O)c2nccs2)CC1 ZINC000100278658 384631069 /nfs/dbraw/zinc/63/10/69/384631069.db2.gz NFDSTRZZFARERH-DTORHVGOSA-N 2 0 239.344 1.185 10 0 BDAERP C[C@H]([NH2+][C@H]1CSC1(C)C)[C@H]1CC[NH2+]C1 ZINC000306574755 384782218 /nfs/dbraw/zinc/78/22/18/384782218.db2.gz IOLXXFCIYCGRPR-GUBZILKMSA-N 2 0 214.378 1.468 10 0 BDAERP C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)C1CC1 ZINC000177244887 384926563 /nfs/dbraw/zinc/92/65/63/384926563.db2.gz KNORBRWBRRFRHH-YPMHNXCESA-N 2 0 226.364 1.221 10 0 BDAERP CCO[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000307243032 385246614 /nfs/dbraw/zinc/24/66/14/385246614.db2.gz JBNYOYGGGFPKPS-KGLIPLIRSA-N 2 0 234.343 1.482 10 0 BDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000178518393 385293557 /nfs/dbraw/zinc/29/35/57/385293557.db2.gz UYMHRISADMEZFX-OCCSQVGLSA-N 2 0 240.391 1.611 10 0 BDAERP CO[C@H](C)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000182183282 385643319 /nfs/dbraw/zinc/64/33/19/385643319.db2.gz QCJBXJXAGBBHFX-CHWSQXEVSA-N 2 0 249.358 1.850 10 0 BDAERP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCCSCC1 ZINC000051890058 386577134 /nfs/dbraw/zinc/57/71/34/386577134.db2.gz RTBHXZRKTIKJTA-SNVBAGLBSA-N 2 0 200.351 1.035 10 0 BDAERP CN(Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC000575458648 387028781 /nfs/dbraw/zinc/02/87/81/387028781.db2.gz KMNKVEKMMUFWDN-CHWSQXEVSA-N 2 0 222.307 1.818 10 0 BDAERP C[C@H]1CSCC[N@@H+]1CC1CC([NH3+])C1 ZINC000575467469 387076209 /nfs/dbraw/zinc/07/62/09/387076209.db2.gz QVIZDYWEJOLJDQ-IDKOKCKLSA-N 2 0 200.351 1.161 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1cc(F)cc(F)c1 ZINC000575439399 387124689 /nfs/dbraw/zinc/12/46/89/387124689.db2.gz IUSMCCNUACJAGC-SNVBAGLBSA-N 2 0 200.232 1.704 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCS1)[C@@H]1CC[NH2+]C1 ZINC000400572027 387129327 /nfs/dbraw/zinc/12/93/27/387129327.db2.gz NYEYRNNRSLKPRV-HBNTYKKESA-N 2 0 214.378 1.470 10 0 BDAERP CC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571908580 387189579 /nfs/dbraw/zinc/18/95/79/387189579.db2.gz CMBBDFJLRVEZIL-SDDRHHMPSA-N 2 0 214.353 1.125 10 0 BDAERP [NH3+]CCC[C@H]([NH3+])c1cc(F)cc(F)c1F ZINC000575440397 387133473 /nfs/dbraw/zinc/13/34/73/387133473.db2.gz SHASXDLROCLUOC-VIFPVBQESA-N 2 0 218.222 1.843 10 0 BDAERP [NH3+]CCCC[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000575440457 387134389 /nfs/dbraw/zinc/13/43/89/387134389.db2.gz WIBDVEADJPGIAF-LBPRGKRZSA-N 2 0 220.316 1.750 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1cccc(F)c1Cl ZINC000575440460 387135607 /nfs/dbraw/zinc/13/56/07/387135607.db2.gz WLNRXCIIBKWPHE-QMMMGPOBSA-N 2 0 202.660 1.828 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CCC[NH2+]C1 ZINC000643456029 387494216 /nfs/dbraw/zinc/49/42/16/387494216.db2.gz UXFAKPYKRWELRY-WUHRBBMRSA-N 2 0 226.364 1.268 10 0 BDAERP Cc1cc[nH+]c(NCCCN2CC[NH2+]CC2)c1 ZINC000043561755 387658329 /nfs/dbraw/zinc/65/83/29/387658329.db2.gz WNYCBMSSGLPZPQ-UHFFFAOYSA-N 2 0 234.347 1.097 10 0 BDAERP CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000422972457 387820300 /nfs/dbraw/zinc/82/03/00/387820300.db2.gz LRDTVWHCKMXJNO-BFHYXJOUSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643459132 387832906 /nfs/dbraw/zinc/83/29/06/387832906.db2.gz BCVANIZKEUJYAX-ZIAGYGMSSA-N 2 0 239.407 1.450 10 0 BDAERP COC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261527671 135152000 /nfs/dbraw/zinc/15/20/00/135152000.db2.gz FPYSCQJXVUOPEQ-VHSXEESVSA-N 2 0 200.326 1.081 10 0 BDAERP CC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000083462738 388052816 /nfs/dbraw/zinc/05/28/16/388052816.db2.gz KDRYYXBBICZMMA-WVMKXHBISA-N 2 0 226.364 1.362 10 0 BDAERP C[NH+](C)CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000042396105 388092291 /nfs/dbraw/zinc/09/22/91/388092291.db2.gz HNFNMBFKUIHMKL-KGLIPLIRSA-N 2 0 240.391 1.564 10 0 BDAERP c1ccc(OCCCN[C@H]2CC[NH2+]C2)cc1 ZINC000086729762 388107783 /nfs/dbraw/zinc/10/77/83/388107783.db2.gz JMDQFFRZLLJJRU-LBPRGKRZSA-N 2 0 220.316 1.407 10 0 BDAERP CC[NH+](CC)CCC[C@H](C)N[C@@H]1CC[NH2+]C1 ZINC000086724709 388107977 /nfs/dbraw/zinc/10/79/77/388107977.db2.gz SLKNLMABKPWFTA-QWHCGFSZSA-N 2 0 227.396 1.448 10 0 BDAERP C[NH+](C)CCC[NH2+]CCc1cccs1 ZINC000082602196 388124552 /nfs/dbraw/zinc/12/45/52/388124552.db2.gz GVRCAZDRHYQROM-UHFFFAOYSA-N 2 0 212.362 1.832 10 0 BDAERP CC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181124823 256586678 /nfs/dbraw/zinc/58/66/78/256586678.db2.gz MIWZJQIGWQFDEC-QWHCGFSZSA-N 2 0 242.407 1.810 10 0 BDAERP Cc1cccnc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000404816214 388435323 /nfs/dbraw/zinc/43/53/23/388435323.db2.gz CCHDEJNDIXQJOT-CYBMUJFWSA-N 2 0 233.359 1.664 10 0 BDAERP Cc1ccc([C@@H](O)C[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000070459735 388436953 /nfs/dbraw/zinc/43/69/53/388436953.db2.gz BJEHFRFHCSGQPL-HNNXBMFYSA-N 2 0 248.370 1.760 10 0 BDAERP C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000530224844 388634050 /nfs/dbraw/zinc/63/40/50/388634050.db2.gz MQHYSVZIJPECBY-NURVWSNCSA-N 2 0 226.364 1.386 10 0 BDAERP Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000564714131 388886294 /nfs/dbraw/zinc/88/62/94/388886294.db2.gz VRPTVORUFPEGSU-ZIAGYGMSSA-N 2 0 247.386 1.910 10 0 BDAERP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000566088887 388986309 /nfs/dbraw/zinc/98/63/09/388986309.db2.gz GRELXANPIOKREB-WYUUTHIRSA-N 2 0 228.405 1.858 10 0 BDAERP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400332648 533498709 /nfs/dbraw/zinc/49/87/09/533498709.db2.gz FERAYDFBSGGPIR-JSGCOSHPSA-N 2 0 248.370 1.825 10 0 BDAERP C[C@H]([NH3+])c1c(F)cccc1N1CC[NH+](C)CC1 ZINC000019872028 132328404 /nfs/dbraw/zinc/32/84/04/132328404.db2.gz PMDBLXZNMJUBOF-JTQLQIEISA-N 2 0 237.322 1.597 10 0 BDAERP C[NH2+]Cc1ccccc1N1CCC([NH+](C)C)CC1 ZINC000036192795 132340664 /nfs/dbraw/zinc/34/06/64/132340664.db2.gz SIHDGPNKWZSUDZ-UHFFFAOYSA-N 2 0 247.386 1.936 10 0 BDAERP Nc1c[nH+]ccc1N1CC[NH+](CC2CC2)CC1 ZINC000036765458 132342556 /nfs/dbraw/zinc/34/25/56/132342556.db2.gz HWCJTWJWECJXQW-UHFFFAOYSA-N 2 0 232.331 1.196 10 0 BDAERP CC[C@H](CC[NH3+])N1CCN(c2cc[nH+]cc2)CC1 ZINC000037039548 132343451 /nfs/dbraw/zinc/34/34/51/132343451.db2.gz FCHQKSMTMPIEND-CYBMUJFWSA-N 2 0 248.374 1.331 10 0 BDAERP C(CN1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000179245148 134318744 /nfs/dbraw/zinc/31/87/44/134318744.db2.gz WZFYMMCIGVUEMC-CQSZACIVSA-N 2 0 237.391 1.252 10 0 BDAERP C([C@@H]1CC[N@@H+](C2CCC2)C1)N1CCOCC1 ZINC000179580106 134321895 /nfs/dbraw/zinc/32/18/95/134321895.db2.gz QKCHZJWJRJDTHH-LBPRGKRZSA-N 2 0 224.348 1.193 10 0 BDAERP C[C@@H](CO)C1CC[NH+](CCCC[NH3+])CC1 ZINC000013895050 135026186 /nfs/dbraw/zinc/02/61/86/135026186.db2.gz DZCRLRIXXMTCRQ-NSHDSACASA-N 2 0 214.353 1.066 10 0 BDAERP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251254687 135066992 /nfs/dbraw/zinc/06/69/92/135066992.db2.gz VAPPPIZMCHURJU-REWJHTLYSA-N 2 0 240.391 1.658 10 0 BDAERP C[C@@H]1C[N@H+](CCC[NH+]2CCCC2)CC[C@H]1O ZINC000251674935 135073055 /nfs/dbraw/zinc/07/30/55/135073055.db2.gz MKSBXXWBJIAJLR-CHWSQXEVSA-N 2 0 226.364 1.175 10 0 BDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCO ZINC000086500698 135087236 /nfs/dbraw/zinc/08/72/36/135087236.db2.gz QBIBFCGVAPHWCB-RYUDHWBXSA-N 2 0 214.353 1.269 10 0 BDAERP CCC[NH2+]CC[NH2+]CC1(CC)CCOCC1 ZINC000261596861 135236535 /nfs/dbraw/zinc/23/65/35/135236535.db2.gz YZQWBENEXGEXGX-UHFFFAOYSA-N 2 0 228.380 1.782 10 0 BDAERP CCC1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000261547635 135240753 /nfs/dbraw/zinc/24/07/53/135240753.db2.gz IHYFANRCCLNXJS-ZDUSSCGKSA-N 2 0 240.391 1.782 10 0 BDAERP Cc1cnc(CN2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261674292 135245081 /nfs/dbraw/zinc/24/50/81/135245081.db2.gz JKDXNKLYVBUHOB-LBPRGKRZSA-N 2 0 234.347 1.344 10 0 BDAERP CC1(C)CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262181442 135284472 /nfs/dbraw/zinc/28/44/72/135284472.db2.gz WVHWGTSEEHEPBB-JQWIXIFHSA-N 2 0 226.364 1.125 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC(C)(C)C1 ZINC000263312041 135345719 /nfs/dbraw/zinc/34/57/19/135345719.db2.gz YVMOPWRXFCUICC-NDBYEHHHSA-N 2 0 240.391 1.371 10 0 BDAERP C[C@@H]1C[C@@H](O)C[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000401640206 533673211 /nfs/dbraw/zinc/67/32/11/533673211.db2.gz DVYVADPMXFUNEL-MGPQQGTHSA-N 2 0 240.391 1.564 10 0 BDAERP CC(C)C[NH2+]CCCOC1CC[NH+](C)CC1 ZINC000052596597 167003553 /nfs/dbraw/zinc/00/35/53/167003553.db2.gz FBQGNFBMUVYLSE-UHFFFAOYSA-N 2 0 228.380 1.733 10 0 BDAERP CC(C)[NH2+]CC(C)(C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969977 167097157 /nfs/dbraw/zinc/09/71/57/167097157.db2.gz CBBOBZIGGRIKRM-ZDUSSCGKSA-N 2 0 241.423 1.647 10 0 BDAERP CC(C)[NH2+]CCN1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000309648515 167104290 /nfs/dbraw/zinc/10/42/90/167104290.db2.gz WVQZCECUSKYITG-STQMWFEESA-N 2 0 225.380 1.010 10 0 BDAERP CCOc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1 ZINC000258648387 322875733 /nfs/dbraw/zinc/87/57/33/322875733.db2.gz AJXVZJVQDJXSOZ-LLVKDONJSA-N 2 0 222.332 1.912 10 0 BDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]1 ZINC000400483190 410051959 /nfs/dbraw/zinc/05/19/59/410051959.db2.gz CQZCTMXNQUZHJO-USZNOCQGSA-N 2 0 212.337 1.020 10 0 BDAERP CC(C)NC(=O)[C@@H](C)N(CC[NH3+])C1CCCC1 ZINC000070975499 167078615 /nfs/dbraw/zinc/07/86/15/167078615.db2.gz TUCBQVFBQUTCNK-LLVKDONJSA-N 2 0 241.379 1.103 10 0 BDAERP CC(C)[NH2+]C[C@H](C)CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053249970 167113437 /nfs/dbraw/zinc/11/34/37/167113437.db2.gz YWUUDWDHGFYYIB-UONOGXRCSA-N 2 0 241.423 1.647 10 0 BDAERP CC(C)[NH2+]C[C@]1(C[N@H+](C)C2CC2)CCCOC1 ZINC000104311857 167116275 /nfs/dbraw/zinc/11/62/75/167116275.db2.gz WJGPYIGRMATNRM-AWEZNQCLSA-N 2 0 240.391 1.875 10 0 BDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])[C@H](C)CC ZINC000041680267 410933585 /nfs/dbraw/zinc/93/35/85/410933585.db2.gz AGUCDMPVLSGBHT-VXGBXAGGSA-N 2 0 243.395 1.160 10 0 BDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400995941 411168577 /nfs/dbraw/zinc/16/85/77/411168577.db2.gz KMQOLZKZHIRIAO-WUHRBBMRSA-N 2 0 240.391 1.371 10 0 BDAERP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401016723 411172225 /nfs/dbraw/zinc/17/22/25/411172225.db2.gz AMLKYTCBQDARMO-YFKTTZPYSA-N 2 0 240.416 1.858 10 0 BDAERP CC[NH+](CC)c1ccc(NCC[NH3+])cc1 ZINC000019732740 169804146 /nfs/dbraw/zinc/80/41/46/169804146.db2.gz XYDNCBJYAJWWMS-UHFFFAOYSA-N 2 0 207.321 1.903 10 0 BDAERP CC1CC[NH+](CCCN2CC[NH2+]CC2)CC1 ZINC000020270252 168178580 /nfs/dbraw/zinc/17/85/80/168178580.db2.gz BPBZUEVPGBGDQD-UHFFFAOYSA-N 2 0 225.380 1.014 10 0 BDAERP CC[N@@H+]1CC[C@@H](CN2CCC([NH2+]C)CC2)C1 ZINC000037484423 170006956 /nfs/dbraw/zinc/00/69/56/170006956.db2.gz NMGVBDHJXRYQCF-GFCCVEGCSA-N 2 0 225.380 1.012 10 0 BDAERP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000336906991 170023021 /nfs/dbraw/zinc/02/30/21/170023021.db2.gz YKYGDMAGLMJXMK-RDBSUJKOSA-N 2 0 237.391 1.297 10 0 BDAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H](O)C2)CCCC1 ZINC000051257027 170110975 /nfs/dbraw/zinc/11/09/75/170110975.db2.gz IVRBZCFGNGJDNT-CYBMUJFWSA-N 2 0 240.391 1.613 10 0 BDAERP CC[NH2+]C[C@H](C)C(=O)NCCC[NH+](CC)CC ZINC000061227917 170122261 /nfs/dbraw/zinc/12/22/61/170122261.db2.gz OTQGHYUPUHLLBH-LBPRGKRZSA-N 2 0 243.395 1.080 10 0 BDAERP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CCCCCO)C1 ZINC000104421651 170140791 /nfs/dbraw/zinc/14/07/91/170140791.db2.gz SRNDDVQFKZQCJQ-KBPBESRZSA-N 2 0 242.407 1.859 10 0 BDAERP CC[NH2+][C@@H](CCN1CC[NH+](C)CC1)C(C)(C)C ZINC000054027003 170144735 /nfs/dbraw/zinc/14/47/35/170144735.db2.gz KDBNZWGPMHCHBS-ZDUSSCGKSA-N 2 0 241.423 1.648 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCCOCC1 ZINC000061934629 170151033 /nfs/dbraw/zinc/15/10/33/170151033.db2.gz CLUXPCCXNMIUCY-CHWSQXEVSA-N 2 0 226.364 1.487 10 0 BDAERP CC[NH2+][C@H](CC)[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643572 170161153 /nfs/dbraw/zinc/16/11/53/170161153.db2.gz HBYCKMVNIFEMRE-BFHYXJOUSA-N 2 0 241.423 1.789 10 0 BDAERP CC[NH2+][C@H]1CC[N@@H+](C2CCOCC2)[C@H](C)C1 ZINC000049711433 170166676 /nfs/dbraw/zinc/16/66/76/170166676.db2.gz KYHZMSQTLNOAJF-NEPJUHHUSA-N 2 0 226.364 1.628 10 0 BDAERP CC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000049710896 170167098 /nfs/dbraw/zinc/16/70/98/170167098.db2.gz RMCOILBLNHRYKD-OLZOCXBDSA-N 2 0 239.407 1.543 10 0 BDAERP CC[NH2+][C@H]1CCN([C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000049713210 170167854 /nfs/dbraw/zinc/16/78/54/170167854.db2.gz DUHQFKYHYWRUCF-MJBXVCDLSA-N 2 0 239.407 1.401 10 0 BDAERP CCOCC[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000035358882 170390516 /nfs/dbraw/zinc/39/05/16/170390516.db2.gz PUCFXLNKXKOHOJ-UHFFFAOYSA-N 2 0 222.332 1.614 10 0 BDAERP CCOCC[N@H+](C)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000050088739 170391942 /nfs/dbraw/zinc/39/19/42/170391942.db2.gz SFYNLARFTKBALT-STQMWFEESA-N 2 0 228.380 1.862 10 0 BDAERP CC[C@@H]1CCN(C[C@@H]2CC[N@H+](C)C2)CC[NH2+]1 ZINC000049662090 171010988 /nfs/dbraw/zinc/01/09/88/171010988.db2.gz RXXLQWUMAIOERX-CHWSQXEVSA-N 2 0 225.380 1.012 10 0 BDAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CC[C@H]([NH+](C)C)C2)C1 ZINC000062964818 171039747 /nfs/dbraw/zinc/03/97/47/171039747.db2.gz XJVMLQXCCYRLRP-XJFOESAGSA-N 2 0 239.407 1.528 10 0 BDAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCC[NH+](C)C ZINC000083369858 171101345 /nfs/dbraw/zinc/10/13/45/171101345.db2.gz KXUPDJXHBYCGLB-KGLIPLIRSA-N 2 0 241.423 1.647 10 0 BDAERP CC[C@H](C)[N@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037109497 171307802 /nfs/dbraw/zinc/30/78/02/171307802.db2.gz DYWZNIQXLUZJHV-FZMZJTMJSA-N 2 0 236.359 1.909 10 0 BDAERP CC[C@H](C)[NH+]1CCN(CCCC[C@@H](C)[NH3+])CC1 ZINC000055065161 171319559 /nfs/dbraw/zinc/31/95/59/171319559.db2.gz SCOHUFRNHAKTAM-KGLIPLIRSA-N 2 0 241.423 1.920 10 0 BDAERP FC1(F)C[C@@H]1OCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000665244894 412189906 /nfs/dbraw/zinc/18/99/06/412189906.db2.gz ZAIKLHWKZQWXDD-UWVGGRQHSA-N 2 0 234.290 1.142 10 0 BDAERP C[C@H]([NH2+]C[C@]1(C)CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000665267148 412210296 /nfs/dbraw/zinc/21/02/96/412210296.db2.gz QMVZDJWJQWLPEC-GUBZILKMSA-N 2 0 218.291 1.619 10 0 BDAERP CO[C@H](C[NH2+]C1CC[NH2+]CC1)C1CCCC1 ZINC000665275695 412219637 /nfs/dbraw/zinc/21/96/37/412219637.db2.gz PIQGQTNERSDZNK-CYBMUJFWSA-N 2 0 226.364 1.533 10 0 BDAERP CCc1nc(CC[NH+](C)C)sc1C[NH2+]C ZINC000082425744 171969544 /nfs/dbraw/zinc/96/95/44/171969544.db2.gz VOFWMWCNUVWBSD-UHFFFAOYSA-N 2 0 227.377 1.529 10 0 BDAERP C[NH+](C)CCC1CC[NH+](CC2(O)CCC2)CC1 ZINC000336715840 172427197 /nfs/dbraw/zinc/42/71/97/172427197.db2.gz VHGFCUMVOPHUHY-UHFFFAOYSA-N 2 0 240.391 1.565 10 0 BDAERP CN(C1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]C1 ZINC000054134865 172987976 /nfs/dbraw/zinc/98/79/76/172987976.db2.gz KGKCEFOZPCZNEL-ZDUSSCGKSA-N 2 0 225.380 1.155 10 0 BDAERP C[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000052048224 173004626 /nfs/dbraw/zinc/00/46/26/173004626.db2.gz SSRYFBGFCZVENV-GFCCVEGCSA-N 2 0 238.379 1.527 10 0 BDAERP C[N@@H+]1CCCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000060743602 173014149 /nfs/dbraw/zinc/01/41/49/173014149.db2.gz QNLCPMOUKVEHJL-STQMWFEESA-N 2 0 225.380 1.141 10 0 BDAERP C[N@@H+]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000044380550 173014637 /nfs/dbraw/zinc/01/46/37/173014637.db2.gz CUMJKFAJFMRXAN-UHFFFAOYSA-N 2 0 213.369 1.012 10 0 BDAERP C[N@@H+]1CCCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000020260672 173017808 /nfs/dbraw/zinc/01/78/08/173017808.db2.gz QFTKPPAUXJAFCN-QWHCGFSZSA-N 2 0 225.380 1.284 10 0 BDAERP C[N@@H+]1CCC[C@@H]1CCOc1cc(C[NH3+])ccn1 ZINC000040240416 173027695 /nfs/dbraw/zinc/02/76/95/173027695.db2.gz SQCPIAXXJBNDRD-GFCCVEGCSA-N 2 0 235.331 1.403 10 0 BDAERP C[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2N)C1 ZINC000044535371 173041428 /nfs/dbraw/zinc/04/14/28/173041428.db2.gz CYOCSWMFMBQXRZ-SNVBAGLBSA-N 2 0 220.320 1.418 10 0 BDAERP CN1CCC[C@H]([N@H+](C)Cc2ccccc2C[NH3+])C1 ZINC000053205792 173045284 /nfs/dbraw/zinc/04/52/84/173045284.db2.gz QVHKPNMJBKZZAB-HNNXBMFYSA-N 2 0 247.386 1.671 10 0 BDAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000037484566 173115166 /nfs/dbraw/zinc/11/51/66/173115166.db2.gz WFTUPLAJVRRIOH-LBPRGKRZSA-N 2 0 220.316 1.434 10 0 BDAERP CN(Cc1ccsc1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990246 173136372 /nfs/dbraw/zinc/13/63/72/173136372.db2.gz IJIIJJLXXSDULZ-LBPRGKRZSA-N 2 0 239.388 1.213 10 0 BDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+][C@@H]1CCSC1)C2 ZINC000038019060 173205959 /nfs/dbraw/zinc/20/59/59/173205959.db2.gz UCTXJCLAPQSZHE-HYWTVENDSA-N 2 0 240.416 1.954 10 0 BDAERP C[NH2+]C(C)(C)CN1CCC([NH+](C)C)CC1 ZINC000061319609 173319582 /nfs/dbraw/zinc/31/95/82/173319582.db2.gz UZGXHNWYYBXPIA-UHFFFAOYSA-N 2 0 213.369 1.010 10 0 BDAERP C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2OC)CC1 ZINC000050374059 173324257 /nfs/dbraw/zinc/32/42/57/173324257.db2.gz SDTYWGBEXWNHCD-RYUDHWBXSA-N 2 0 212.337 1.238 10 0 BDAERP C[NH2+]CC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000051756198 173338643 /nfs/dbraw/zinc/33/86/43/173338643.db2.gz ZRVUZUJBDZHBSE-LBPRGKRZSA-N 2 0 212.337 1.097 10 0 BDAERP C[NH2+]CCCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702353 173349724 /nfs/dbraw/zinc/34/97/24/173349724.db2.gz XNNRPLQEEOVHLH-HNNXBMFYSA-N 2 0 248.370 1.887 10 0 BDAERP C[NH2+]CC[C@H](C)[N@@H+]1CCCSCC1 ZINC000052371050 173358156 /nfs/dbraw/zinc/35/81/56/173358156.db2.gz KUYZSONRUFZQGB-JTQLQIEISA-N 2 0 202.367 1.423 10 0 BDAERP C[NH2+]C[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573446 173365115 /nfs/dbraw/zinc/36/51/15/173365115.db2.gz RWKWEMIDKFOEOU-GFCCVEGCSA-N 2 0 225.380 1.155 10 0 BDAERP C[NH2+]Cc1cc(C[N@H+](C)CCCOC)oc1C ZINC000062036030 173387323 /nfs/dbraw/zinc/38/73/23/173387323.db2.gz DZFKVHNGTOXJSO-UHFFFAOYSA-N 2 0 240.347 1.776 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@H+](CCOC)C1CC1 ZINC000052542403 173390955 /nfs/dbraw/zinc/39/09/55/173390955.db2.gz JJDGZERLNOWMMR-UHFFFAOYSA-N 2 0 238.331 1.610 10 0 BDAERP C[NH2+]Cc1ccoc1C[N@H+](C)C1CCOCC1 ZINC000052481147 173391713 /nfs/dbraw/zinc/39/17/13/173391713.db2.gz ZOKZEBVPRDEDMC-UHFFFAOYSA-N 2 0 238.331 1.610 10 0 BDAERP C[NH2+]Cc1csc(C2CC[NH2+]CC2)n1 ZINC000071490187 173393031 /nfs/dbraw/zinc/39/30/31/173393031.db2.gz RFMPVLLAYXJDCL-UHFFFAOYSA-N 2 0 211.334 1.330 10 0 BDAERP C[NH2+]Cc1coc(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000052484535 173394018 /nfs/dbraw/zinc/39/40/18/173394018.db2.gz ATGQJOZAGVHXBF-JTQLQIEISA-N 2 0 208.305 1.841 10 0 BDAERP COC1CC[NH+]([C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000037265717 174030280 /nfs/dbraw/zinc/03/02/80/174030280.db2.gz RJRVJLOHYBBLAW-WCQYABFASA-N 2 0 226.364 1.615 10 0 BDAERP COCCN(c1nc(C)cc(C)c1C[NH3+])C1CC1 ZINC000042517210 174301888 /nfs/dbraw/zinc/30/18/88/174301888.db2.gz XZMKAIDFFIJGRU-UHFFFAOYSA-N 2 0 249.358 1.772 10 0 BDAERP COCC[NH2+]CCCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000053499146 174331934 /nfs/dbraw/zinc/33/19/34/174331934.db2.gz SDDAPVXULRITRW-CHWSQXEVSA-N 2 0 244.379 1.112 10 0 BDAERP COCC[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053498866 174332221 /nfs/dbraw/zinc/33/22/21/174332221.db2.gz RGPIGOQDOHEONQ-OKILXGFUSA-N 2 0 242.407 1.981 10 0 BDAERP COCC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020047928 174332258 /nfs/dbraw/zinc/33/22/58/174332258.db2.gz QLAJUIWPUUGMPE-LBPRGKRZSA-N 2 0 214.353 1.487 10 0 BDAERP COCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000160684918 174385101 /nfs/dbraw/zinc/38/51/01/174385101.db2.gz SJMJJQHHCJUTCY-GHMZBOCLSA-N 2 0 200.326 1.143 10 0 BDAERP COc1ccc(C[NH3+])cc1C[NH+]1CCCC1 ZINC000022200881 175097457 /nfs/dbraw/zinc/09/74/57/175097457.db2.gz UPKSTFWDDPXIGX-UHFFFAOYSA-N 2 0 220.316 1.750 10 0 BDAERP COc1ccc([C@@H](C[NH3+])CC[NH+](C)C)cc1C ZINC000041271827 175178181 /nfs/dbraw/zinc/17/81/81/175178181.db2.gz LMXOXCQGNSYKIE-CYBMUJFWSA-N 2 0 236.359 1.998 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052180710 176071583 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ZINC000061918970 176302518 /nfs/dbraw/zinc/30/25/18/176302518.db2.gz OGVGMAMGBUXIAV-LLVKDONJSA-N 2 0 247.342 1.581 10 0 BDAERP C[C@@H]1CN([C@]2(C[NH3+])CCCSC2)CCCO1 ZINC000061915876 176317941 /nfs/dbraw/zinc/31/79/41/176317941.db2.gz YZJZPZXMQMNGDC-NEPJUHHUSA-N 2 0 244.404 1.322 10 0 BDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CC2CCC2)C1 ZINC000049665875 176328506 /nfs/dbraw/zinc/32/85/06/176328506.db2.gz VVPVEPLPDAWCHH-VXGBXAGGSA-N 2 0 210.365 1.964 10 0 BDAERP C[C@H](C[NH+]1CCCC1)NC1=[NH+][C@H](C)CS1 ZINC000049185291 176349456 /nfs/dbraw/zinc/34/94/56/176349456.db2.gz XAMYDABBUAODAS-NXEZZACHSA-N 2 0 227.377 1.552 10 0 BDAERP C[C@H]1CCC[C@@H]([NH2+]CCN(C)CC[NH+](C)C)C1 ZINC000104202166 177123360 /nfs/dbraw/zinc/12/33/60/177123360.db2.gz NZXJDYRKXTUFOD-UONOGXRCSA-N 2 0 241.423 1.648 10 0 BDAERP C[C@H]1C[N@H+](CCCC[NH2+]C(C)(C)C)CCN1C ZINC000104136177 177248060 /nfs/dbraw/zinc/24/80/60/177248060.db2.gz KXLGGASCIDXVED-ZDUSSCGKSA-N 2 0 241.423 1.791 10 0 BDAERP C[C@H]1C[NH2+]CCCN(C2CC[NH+](C)CC2)C1 ZINC000049665944 177281485 /nfs/dbraw/zinc/28/14/85/177281485.db2.gz LMCRSDOOHNYSID-LBPRGKRZSA-N 2 0 225.380 1.012 10 0 BDAERP C[C@H]1C[NH2+]CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000044510703 177281779 /nfs/dbraw/zinc/28/17/79/177281779.db2.gz JGHTZZBLORDYRR-STQMWFEESA-N 2 0 226.364 1.487 10 0 BDAERP C[C@@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CC[N@H+](C)C2)C1 ZINC000049666496 177285909 /nfs/dbraw/zinc/28/59/09/177285909.db2.gz PLRWBAXDEAATJT-HZSPNIEDSA-N 2 0 239.407 1.116 10 0 BDAERP C[C@@H]1CN(CC[NH+]2CCCCC2)[C@@H](C)C[NH2+]1 ZINC000062611951 177286764 /nfs/dbraw/zinc/28/67/64/177286764.db2.gz WNPCFADLLSTMQP-OLZOCXBDSA-N 2 0 225.380 1.155 10 0 BDAERP C[n+]1ccc(/C=C\c2cc[n+](C)cc2)cc1 ZINC000035375907 177500917 /nfs/dbraw/zinc/50/09/17/177500917.db2.gz XRIOCMZNEKUBEW-ARJAWSKDSA-N 2 0 212.296 1.506 10 0 BDAERP C[C@H]([NH2+][C@@H]1CC12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000400334371 226340972 /nfs/dbraw/zinc/34/09/72/226340972.db2.gz FQOAJWVWBPRZBP-QJPTWQEYSA-N 2 0 208.349 1.907 10 0 BDAERP C[C@H]([NH2+][C@H]1CC12CCCC2)[C@H]1CC[NH2+]C1 ZINC000400334376 226340988 /nfs/dbraw/zinc/34/09/88/226340988.db2.gz FQOAJWVWBPRZBP-SRVKXCTJSA-N 2 0 208.349 1.907 10 0 BDAERP C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)C[NH+]1CCCC1 ZINC000400334370 226340993 /nfs/dbraw/zinc/34/09/93/226340993.db2.gz GYHMJWYROYAQAT-RDBSUJKOSA-N 2 0 239.407 1.306 10 0 BDAERP COCc1cccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400461635 226343934 /nfs/dbraw/zinc/34/39/34/226343934.db2.gz RSEMWUWLRSKVOW-DOMZBBRYSA-N 2 0 248.370 1.921 10 0 BDAERP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400527155 226345867 /nfs/dbraw/zinc/34/58/67/226345867.db2.gz QLXFIUWIJYFEHI-DGCLKSJQSA-N 2 0 236.334 1.956 10 0 BDAERP C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000400578350 226346625 /nfs/dbraw/zinc/34/66/25/226346625.db2.gz PRVYCXAZVJTPIO-GRYCIOLGSA-N 2 0 225.380 1.057 10 0 BDAERP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000306833291 229398308 /nfs/dbraw/zinc/39/83/08/229398308.db2.gz NQJCXKUWNUSONK-YTWAJWBKSA-N 2 0 214.378 1.468 10 0 BDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CC[NH2+]C1 ZINC000252584302 487826989 /nfs/dbraw/zinc/82/69/89/487826989.db2.gz ZWDCSFBMVIIMOO-QWHCGFSZSA-N 2 0 225.380 1.012 10 0 BDAERP CC(C)(O)C(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000393599070 323026957 /nfs/dbraw/zinc/02/69/57/323026957.db2.gz NHMYUWILWILOTE-UHFFFAOYSA-N 2 0 228.380 1.643 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000562744794 323029833 /nfs/dbraw/zinc/02/98/33/323029833.db2.gz VZDDLNUCKDBIHK-XJFOESAGSA-N 2 0 240.391 1.779 10 0 BDAERP Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000570035744 323047701 /nfs/dbraw/zinc/04/77/01/323047701.db2.gz PNXSTLQQCNVTLA-KBPBESRZSA-N 2 0 247.386 1.910 10 0 BDAERP C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000570515673 323061433 /nfs/dbraw/zinc/06/14/33/323061433.db2.gz NROIECFBRJLLSK-YNEHKIRRSA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H]([NH2+]C[C@@]1(C)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000570663831 323066346 /nfs/dbraw/zinc/06/63/46/323066346.db2.gz FNUGBPQFOBXPFL-YNEHKIRRSA-N 2 0 226.364 1.533 10 0 BDAERP C[C@H](NC[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000571669540 323177224 /nfs/dbraw/zinc/17/72/24/323177224.db2.gz VUZYGIJQSVIYCB-MJBXVCDLSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000530225582 323218859 /nfs/dbraw/zinc/21/88/59/323218859.db2.gz OMRICHGTYBYXQR-XQZGEAEESA-N 2 0 240.391 1.776 10 0 BDAERP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566056411 325988099 /nfs/dbraw/zinc/98/80/99/325988099.db2.gz ZNSUORGABOVFSM-STQMWFEESA-N 2 0 228.380 1.779 10 0 BDAERP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccn1 ZINC000567102571 326115958 /nfs/dbraw/zinc/11/59/58/326115958.db2.gz RFFHNXFWGJGGSD-OCCSQVGLSA-N 2 0 233.359 1.868 10 0 BDAERP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)[C@@H](C)O ZINC000567639407 326236959 /nfs/dbraw/zinc/23/69/59/326236959.db2.gz NDCPTJXPKQGRSZ-WYUUTHIRSA-N 2 0 214.353 1.124 10 0 BDAERP CO[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000051694409 487984827 /nfs/dbraw/zinc/98/48/27/487984827.db2.gz NMCVDUOXBDSISP-FIYWTHMPSA-N 2 0 226.364 1.804 10 0 BDAERP Cc1cnccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000129739589 488119627 /nfs/dbraw/zinc/11/96/27/488119627.db2.gz ITYZLKHOOLOZND-AAEUAGOBSA-N 2 0 219.332 1.607 10 0 BDAERP CCO[C@@H]1C[N@@H+]([C@H](C)C(C)C)C[C@H]1C[NH3+] ZINC000405320208 487481039 /nfs/dbraw/zinc/48/10/39/487481039.db2.gz YTVCFNLAIMOLGN-IJLUTSLNSA-N 2 0 214.353 1.327 10 0 BDAERP C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000217629095 490476750 /nfs/dbraw/zinc/47/67/50/490476750.db2.gz UZXBQTUUOKYWPO-FPMFFAJLSA-N 2 0 240.391 1.610 10 0 BDAERP C[C@H]([NH2+][C@H]1CCO[C@@H]1C)C1CC[NH+](C)CC1 ZINC000134241582 491162561 /nfs/dbraw/zinc/16/25/61/491162561.db2.gz KAAWUMHFQVLDKA-LOWVWBTDSA-N 2 0 226.364 1.484 10 0 BDAERP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CC[NH2+]C1 ZINC000400393497 533829668 /nfs/dbraw/zinc/82/96/68/533829668.db2.gz JLGMDVFPDYOFMB-QWRGUYRKSA-N 2 0 228.380 1.371 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCSC1)[C@H]1CC[NH2+]C1 ZINC000400729980 533882801 /nfs/dbraw/zinc/88/28/01/533882801.db2.gz QHHYIHUGZOKCQC-SRVKXCTJSA-N 2 0 228.405 1.717 10 0 BDAERP CC(C)CSCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400466928 528226403 /nfs/dbraw/zinc/22/64/03/528226403.db2.gz WHORPRQFAJPTEH-NEPJUHHUSA-N 2 0 230.421 1.963 10 0 BDAERP CCCC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262117601 534927713 /nfs/dbraw/zinc/92/77/13/534927713.db2.gz LKJVEDCFAMJIJM-GNRIBBGQSA-N 2 0 240.391 1.515 10 0 BDAERP CCC[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000020075595 534935449 /nfs/dbraw/zinc/93/54/49/534935449.db2.gz ZSBKBCZGRRJQNT-UHFFFAOYSA-N 2 0 233.359 1.677 10 0 BDAERP CCCc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263209215 535432746 /nfs/dbraw/zinc/43/27/46/535432746.db2.gz KDBJXFIFYHPEDZ-CABCVRRESA-N 2 0 248.370 1.309 10 0 BDAERP C[NH+](C)CCCC[NH2+]CC1CCOCC1 ZINC000052172636 535832050 /nfs/dbraw/zinc/83/20/50/535832050.db2.gz MKMMWWZEFHPZDR-UHFFFAOYSA-N 2 0 214.353 1.344 10 0 BDAERP C[NH+]1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786719 536420288 /nfs/dbraw/zinc/42/02/88/536420288.db2.gz BSGHRPLMMZBAOF-UHFFFAOYSA-N 2 0 239.750 1.551 10 0 BDAERP C[C@H]1[NH2+]CCC[C@@]12CCCN2CC[NH+](C)C ZINC000757134171 582510369 /nfs/dbraw/zinc/51/03/69/582510369.db2.gz WLUJOXCGSLKXBQ-CHWSQXEVSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@H]1C[NH2+]C[C@]2(CCCN2CCC[NH+](C)C)C1 ZINC000757134962 582513318 /nfs/dbraw/zinc/51/33/18/582513318.db2.gz XNMNNMPUOMILEB-KGLIPLIRSA-N 2 0 239.407 1.402 10 0 BDAERP CCOCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757135087 582513490 /nfs/dbraw/zinc/51/34/90/582513490.db2.gz YIANCFIOXGPVIC-KGLIPLIRSA-N 2 0 240.391 1.877 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757141640 582522657 /nfs/dbraw/zinc/52/26/57/582522657.db2.gz POZLDRIHTKENKD-UHFFFAOYSA-N 2 0 212.337 1.444 10 0 BDAERP C1CC1[NH+]1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757143106 582523178 /nfs/dbraw/zinc/52/31/78/582523178.db2.gz MEGQNEQCMIZOJN-AAEUAGOBSA-N 2 0 236.359 1.729 10 0 BDAERP CC1(C)CCC[C@]2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757153453 582537454 /nfs/dbraw/zinc/53/74/54/582537454.db2.gz WQCZFCYMCSYRNO-ZDUSSCGKSA-N 2 0 224.348 1.635 10 0 BDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757218704 582563741 /nfs/dbraw/zinc/56/37/41/582563741.db2.gz VXSBSPVGRFNKQJ-DDTOSNHZSA-N 3 0 233.359 1.533 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1C1CCN(CC[NH3+])CC1 ZINC000257773739 582683051 /nfs/dbraw/zinc/68/30/51/582683051.db2.gz RYSGNUOKTYSMND-GFCCVEGCSA-N 2 0 225.380 1.284 10 0 BDAERP CC(C)C[NH+]1CCN([C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396623672 583086614 /nfs/dbraw/zinc/08/66/14/583086614.db2.gz DECHGTWSZKLZLO-UONOGXRCSA-N 2 0 239.407 1.401 10 0 BDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000223018071 583179734 /nfs/dbraw/zinc/17/97/34/583179734.db2.gz XWURPFUTZWATFR-NTZNESFSSA-N 2 0 232.327 1.980 10 0 BDAERP Cc1[nH+]ccc(N2CC[C@@H]2C[NH3+])c1Cl ZINC000757140516 586427798 /nfs/dbraw/zinc/42/77/98/586427798.db2.gz BZJGEBVMRJBZMY-MRVPVSSYSA-N 2 0 211.696 1.581 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757150781 586428627 /nfs/dbraw/zinc/42/86/27/586428627.db2.gz SDAYOAOQXGLIRC-LBPRGKRZSA-N 2 0 224.348 1.444 10 0 BDAERP CC(C)[C@H]1C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1 ZINC000757154320 586429934 /nfs/dbraw/zinc/42/99/34/586429934.db2.gz ZVZGOFLFZKIDQT-LBPRGKRZSA-N 2 0 238.375 1.833 10 0 BDAERP COC(=O)[C@H]1CC[NH2+][C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757210842 586438815 /nfs/dbraw/zinc/43/88/15/586438815.db2.gz HLIGWGRKOWWAEH-QWHCGFSZSA-N 2 0 248.326 1.359 10 0 BDAERP [NH3+]Cc1ccc([C@H]2C[C@H](C[NH3+])CC[NH2+]2)cc1 ZINC000757211955 586438948 /nfs/dbraw/zinc/43/89/48/586438948.db2.gz JLEBVDYVYOFFIA-DGCLKSJQSA-N 3 0 219.332 1.145 10 0 BDAERP CC(=O)c1cccc([C@H]2CC[C@@H](C[NH3+])C[NH2+]2)c1 ZINC000757212321 586439443 /nfs/dbraw/zinc/43/94/43/586439443.db2.gz IBLUUUWRPNVNOQ-SMDDNHRTSA-N 2 0 232.327 1.889 10 0 BDAERP C[C@@H]1C[C@H](c2cccc(C[NH3+])c2)NC[C@@H]1[NH3+] ZINC000757212878 586439628 /nfs/dbraw/zinc/43/96/28/586439628.db2.gz KBIVQXCNRHYYNX-JIMOISOXSA-N 2 0 219.332 1.143 10 0 BDAERP Nc1cccc([C@H]2CC[C@@H](C[NH3+])C[NH2+]2)c1 ZINC000757215250 586440414 /nfs/dbraw/zinc/44/04/14/586440414.db2.gz MUJPBQXVAGDQEM-JOYOIKCWSA-N 2 0 205.305 1.268 10 0 BDAERP C[C@@H]1C[C@@H]([NH3+])CN[C@H]1c1ccc(C[NH3+])cc1 ZINC000757217287 586441739 /nfs/dbraw/zinc/44/17/39/586441739.db2.gz RUXMKWVVDLFNNQ-OASPWFOLSA-N 2 0 219.332 1.143 10 0 BDAERP CC(=O)c1cccc([C@H]2[NH2+]CCC[C@H]2C[NH3+])c1 ZINC000757219105 586442367 /nfs/dbraw/zinc/44/23/67/586442367.db2.gz YESADMFSRLPKCG-UONOGXRCSA-N 2 0 232.327 1.889 10 0 BDAERP Cc1ccc(N)cc1[C@H]1C[C@H]([NH3+])CC[NH2+]1 ZINC000757231045 586443124 /nfs/dbraw/zinc/44/31/24/586443124.db2.gz GJBFVDKETCZLCP-ZYHUDNBSSA-N 2 0 205.305 1.329 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1C[C@H]([NH3+])CC[NH2+]1 ZINC000757231040 586443299 /nfs/dbraw/zinc/44/32/99/586443299.db2.gz GJBFVDKETCZLCP-PWSUYJOCSA-N 2 0 205.305 1.329 10 0 BDAERP CN(C)c1cc[nH+]c(-c2cccc(C[NH3+])c2)c1N ZINC000757571627 586462751 /nfs/dbraw/zinc/46/27/51/586462751.db2.gz LSSSSLSQESPNIY-UHFFFAOYSA-N 2 0 242.326 1.856 10 0 BDAERP C[C@H](CN[C@@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000129161313 591266764 /nfs/dbraw/zinc/26/67/64/591266764.db2.gz CWAMDSHSKZRHIR-ZIAGYGMSSA-N 2 0 239.407 1.593 10 0 BDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CCCO1 ZINC000251524706 635704394 /nfs/dbraw/zinc/70/43/94/635704394.db2.gz XDAYPQQILBHGQY-PSEXLTFBSA-N 2 0 224.348 1.510 10 0 BDAERP CC(C)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328567155 633777099 /nfs/dbraw/zinc/77/70/99/633777099.db2.gz NNMXLVFFNFDIQX-ASHHDVGLSA-N 2 0 208.349 1.617 10 0 BDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000040503546 633817142 /nfs/dbraw/zinc/81/71/42/633817142.db2.gz NJEVRKFDAFLMTC-LBPRGKRZSA-N 2 0 241.379 1.106 10 0 BDAERP C[C@H]1[NH2+]CCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000396706795 634078413 /nfs/dbraw/zinc/07/84/13/634078413.db2.gz JVXVKPUKUGFPEY-YPMHNXCESA-N 2 0 225.380 1.153 10 0 BDAERP [NH3+]C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000044677394 640453090 /nfs/dbraw/zinc/45/30/90/640453090.db2.gz AWZPUSCXGCTCSF-ZIAGYGMSSA-N 2 0 216.328 1.966 10 0 BDAERP C[N@H+](C[C@H]1CC[NH+](C)C1)CC1(O)CCCCC1 ZINC000087458314 640892627 /nfs/dbraw/zinc/89/26/27/640892627.db2.gz WTRRZTRMMQFIFA-ZDUSSCGKSA-N 2 0 240.391 1.565 10 0 BDAERP CN(C)[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000071137240 643101114 /nfs/dbraw/zinc/10/11/14/643101114.db2.gz BVXSEBPYRYFFMM-ZDUSSCGKSA-N 2 0 227.396 1.532 10 0 BDAERP [NH3+]C1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000086729062 644469197 /nfs/dbraw/zinc/46/91/97/644469197.db2.gz CXYDBKKNWFNROW-HTAVTVPLSA-N 2 0 212.337 1.415 10 0 BDAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052378889 644536896 /nfs/dbraw/zinc/53/68/96/644536896.db2.gz IHSGAKZCVGNGIN-UTUOFQBUSA-N 2 0 212.337 1.367 10 0 BDAERP CC[N@@H+]1CCC[C@H]1CN(C)c1cc[nH+]c(CO)c1 ZINC000092633821 644663535 /nfs/dbraw/zinc/66/35/35/644663535.db2.gz IXMCMDAVKBCPOI-AWEZNQCLSA-N 2 0 249.358 1.494 10 0 BDAERP Cc1[nH+]ccc(NCC2([NH3+])CC2)c1Cl ZINC000725648480 711668655 /nfs/dbraw/zinc/66/86/55/711668655.db2.gz IJAODALQRBFKPK-UHFFFAOYSA-N 2 0 211.696 1.369 10 0 BDAERP CC[C@@](C)(O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709772365 712220844 /nfs/dbraw/zinc/22/08/44/712220844.db2.gz IOHLRYZZJWMPSZ-CYBMUJFWSA-N 2 0 228.380 1.564 10 0 BDAERP C=C/C=C\CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000713735411 712470729 /nfs/dbraw/zinc/47/07/29/712470729.db2.gz NYZJAHMDNJTXCX-JRNXBESPSA-N 2 0 206.333 1.788 10 0 BDAERP COCC1CC([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000714006631 712476929 /nfs/dbraw/zinc/47/69/29/712476929.db2.gz MEOTXGKIZOFXKV-UNXYVOJBSA-N 2 0 214.353 1.519 10 0 BDAERP Cc1cc(N[C@H]2C[NH2+]CC2(C)C)cc[nH+]1 ZINC000721901600 710688641 /nfs/dbraw/zinc/68/86/41/710688641.db2.gz WKWVMGQFCJCRMB-NSHDSACASA-N 2 0 205.305 1.222 10 0 BDAERP CCOC[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000714752620 711522162 /nfs/dbraw/zinc/52/21/62/711522162.db2.gz CRLXOFVNQSSZIW-NSHDSACASA-N 2 0 214.353 1.615 10 0 BDAERP C[C@H]([NH2+]CCC1CC=CC1)[C@H]1CC[NH2+]C1 ZINC000724133503 711564801 /nfs/dbraw/zinc/56/48/01/711564801.db2.gz ZNVCUYULTQTMOF-AAEUAGOBSA-N 2 0 208.349 1.930 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CC[NH2+]C1 ZINC000722323086 711737123 /nfs/dbraw/zinc/73/71/23/711737123.db2.gz WHCKWZVLGSLQHK-DOERSZECSA-N 2 0 238.375 1.532 10 0 BDAERP CC[C@](C)(O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709772367 712220815 /nfs/dbraw/zinc/22/08/15/712220815.db2.gz IOHLRYZZJWMPSZ-ZDUSSCGKSA-N 2 0 228.380 1.564 10 0 BDAERP C([C@@H]1CCCO1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713174518 712453131 /nfs/dbraw/zinc/45/31/31/712453131.db2.gz KJJRCDUGYQZZIK-LBPRGKRZSA-N 2 0 224.348 1.383 10 0 BDAERP CC[NH+]1CCC(N2CCC([NH3+])(CC)CC2)CC1 ZINC000714754831 712497926 /nfs/dbraw/zinc/49/79/26/712497926.db2.gz YBUVJYHZYYGPHB-UHFFFAOYSA-N 2 0 239.407 1.674 10 0 BDAERP CCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029512 712800358 /nfs/dbraw/zinc/80/03/58/712800358.db2.gz LWUDOHZSLRQLON-RYUDHWBXSA-N 2 0 241.379 1.104 10 0 BDAERP CC[N@@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685955186 538900896 /nfs/dbraw/zinc/90/08/96/538900896.db2.gz VRJQPRHZDHCKMB-WHOHXGKFSA-N 2 0 212.337 1.366 10 0 BDAERP [NH3+][C@@H]1CCC[C@@]2(c3ccccc3)C[NH2+]C[C@@H]12 ZINC000685958449 538905987 /nfs/dbraw/zinc/90/59/87/538905987.db2.gz NTNVBKLXXXJSTC-MJBXVCDLSA-N 2 0 216.328 1.655 10 0 BDAERP CC[N@@H+]1CC[C@H]([NH3+])C12CCSCC2 ZINC000606275701 538930019 /nfs/dbraw/zinc/93/00/19/538930019.db2.gz IZBRBJOWBKCSRV-VIFPVBQESA-N 2 0 200.351 1.305 10 0 BDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@@H+]1C ZINC000164017556 538931519 /nfs/dbraw/zinc/93/15/19/538931519.db2.gz CVOBEPYWGUCVMW-WOPDTQHZSA-N 2 0 228.380 1.466 10 0 BDAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000070798623 361758709 /nfs/dbraw/zinc/75/87/09/361758709.db2.gz UTNWOJGRNGUCHA-NXEZZACHSA-N 2 0 200.351 1.033 10 0 BDAERP Cc1c[nH+]ccc1NCCC[NH2+]C(C)C ZINC000576732207 365672193 /nfs/dbraw/zinc/67/21/93/365672193.db2.gz UYQQEFIFPHKVIW-UHFFFAOYSA-N 2 0 207.321 1.612 10 0 BDAERP CCC(CC)[N@H+](CCO)C[C@@H]1CCC[C@@H]1[NH2+]C ZINC000053877022 168373371 /nfs/dbraw/zinc/37/33/71/168373371.db2.gz JGRMSXBVLCDJCO-JSGCOSHPSA-N 2 0 242.407 1.857 10 0 BDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037164732 538961712 /nfs/dbraw/zinc/96/17/12/538961712.db2.gz MERUNVUHYNOTME-KGLIPLIRSA-N 2 0 240.391 1.754 10 0 BDAERP C[C@@H]1C[N@@H+](CC2C[NH2+]C2)C[C@H](C)S1 ZINC000165219282 342883590 /nfs/dbraw/zinc/88/35/90/342883590.db2.gz NYRLJPILCYCOFJ-DTORHVGOSA-N 2 0 200.351 1.032 10 0 BDAERP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000580302258 346875550 /nfs/dbraw/zinc/87/55/50/346875550.db2.gz DARGYVMTVVNNSH-DGCLKSJQSA-N 2 0 249.358 1.568 10 0 BDAERP Cc1c(C[NH+]2CCC(CC[NH3+])CC2)cnn1C ZINC000093651385 343151930 /nfs/dbraw/zinc/15/19/30/343151930.db2.gz CLGZAJNLKYYIRT-UHFFFAOYSA-N 2 0 236.363 1.289 10 0 BDAERP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCC[NH2+]C1 ZINC000584107181 343597368 /nfs/dbraw/zinc/59/73/68/343597368.db2.gz NUCZNYLKHRGXMH-JSGCOSHPSA-N 2 0 248.370 1.912 10 0 BDAERP [NH3+][C@@H](CN1CCC([NH3+])CC1)c1ccccc1 ZINC000059732106 343712663 /nfs/dbraw/zinc/71/26/63/343712663.db2.gz DNVMQMDQDCOVRX-ZDUSSCGKSA-N 2 0 219.332 1.110 10 0 BDAERP CC(C)C[N@@H+]1CCOc2ccc(C[NH3+])cc2C1 ZINC000409422497 343813948 /nfs/dbraw/zinc/81/39/48/343813948.db2.gz HACQQCKCQYLHKZ-UHFFFAOYSA-N 2 0 234.343 1.996 10 0 BDAERP Cc1nc(CC(C)C)cc(N2CC[NH2+]CC2)n1 ZINC000409431955 343824477 /nfs/dbraw/zinc/82/44/77/343824477.db2.gz RYURWXSEHXWIAR-UHFFFAOYSA-N 2 0 234.347 1.393 10 0 BDAERP COC[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1C(F)(F)F ZINC000409430496 343808568 /nfs/dbraw/zinc/80/85/68/343808568.db2.gz IQOIQRRSWLARJP-DTWKUNHWSA-N 2 0 240.269 1.092 10 0 BDAERP COC[C@H]1C[N@H+](CCC[NH3+])CC12CCCCC2 ZINC000409433937 343830994 /nfs/dbraw/zinc/83/09/94/343830994.db2.gz NUGWERGVFHMZBP-CYBMUJFWSA-N 2 0 240.391 1.864 10 0 BDAERP CC(C)N1CC[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000113222229 537846903 /nfs/dbraw/zinc/84/69/03/537846903.db2.gz QKFGVHIZBSTBKE-ZIAGYGMSSA-N 2 0 239.407 1.530 10 0 BDAERP [NH3+][C@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000220689458 344567472 /nfs/dbraw/zinc/56/74/72/344567472.db2.gz LCEKUMGOIZRVDC-WPRPVWTQSA-N 2 0 200.351 1.351 10 0 BDAERP Cc1ccc(C)c([C@H](O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000011729518 344983965 /nfs/dbraw/zinc/98/39/65/344983965.db2.gz YXSCQGPYMVPLCN-OAHLLOKOSA-N 2 0 248.370 1.760 10 0 BDAERP CCCn1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634999077 345199197 /nfs/dbraw/zinc/19/91/97/345199197.db2.gz PQGBIPCBXFHUTA-YPMHNXCESA-N 2 0 236.363 1.320 10 0 BDAERP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400748329 345727328 /nfs/dbraw/zinc/72/73/28/345727328.db2.gz UZFHLXSNXULGDQ-UBHSHLNASA-N 2 0 240.391 1.515 10 0 BDAERP CC(C)[NH+](C[C@@H]1CNC[C@@H](C[NH3+])C1)C(C)C ZINC000669378798 537970330 /nfs/dbraw/zinc/97/03/30/537970330.db2.gz NVXJHVFTSYWIDC-OLZOCXBDSA-N 2 0 227.396 1.290 10 0 BDAERP COCCC[NH2+][C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241367 537979157 /nfs/dbraw/zinc/97/91/57/537979157.db2.gz DXJJSZAFPLDZGD-NWDGAFQWSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000571157288 323136962 /nfs/dbraw/zinc/13/69/62/323136962.db2.gz BKFBDRVILPPKOP-IHRRRGAJSA-N 2 0 240.391 1.923 10 0 BDAERP C[N@H+]([C@@H]1CCSC1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000250352421 362801002 /nfs/dbraw/zinc/80/10/02/362801002.db2.gz AWAMYEUJIJIUQA-KXUCPTDWSA-N 2 0 200.351 1.304 10 0 BDAERP CN(CC(C)(C)C)[C@H]1COCC[C@H]1[NH3+] ZINC000250696529 362816544 /nfs/dbraw/zinc/81/65/44/362816544.db2.gz MBDZARHMJLBJAS-ZJUUUORDSA-N 2 0 200.326 1.081 10 0 BDAERP Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000043033356 179328441 /nfs/dbraw/zinc/32/84/41/179328441.db2.gz TWHAYDSODRLVJD-DZGCQCFKSA-N 2 0 247.386 1.631 10 0 BDAERP Cc1ccccc1[C@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000019795970 179341916 /nfs/dbraw/zinc/34/19/16/179341916.db2.gz NVTQWGVORGCMFW-AWEZNQCLSA-N 2 0 233.359 1.242 10 0 BDAERP CCSC1(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000596653587 348607366 /nfs/dbraw/zinc/60/73/66/348607366.db2.gz VWAGPHRJRAVPQO-UHFFFAOYSA-N 2 0 214.378 1.614 10 0 BDAERP C[C@@H]1CSCCN1[C@H]1CCCC[NH2+]C1 ZINC000251837154 362932409 /nfs/dbraw/zinc/93/24/09/362932409.db2.gz QBKGJVSBKYXGOS-MNOVXSKESA-N 2 0 214.378 1.566 10 0 BDAERP C[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000054074235 348889274 /nfs/dbraw/zinc/88/92/74/348889274.db2.gz LRULAIIEUBZSEP-SNVBAGLBSA-N 2 0 235.331 1.295 10 0 BDAERP C[NH2+]CC1CCN(c2ncnc3[nH]ccc32)CC1 ZINC000420188653 192172432 /nfs/dbraw/zinc/17/24/32/192172432.db2.gz NLKVWDLVEJTEAA-UHFFFAOYSA-N 2 0 245.330 1.394 10 0 BDAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CC[N@@H+]1C ZINC000252153052 538080978 /nfs/dbraw/zinc/08/09/78/538080978.db2.gz OUXZEPNDYLYBML-FDYHWXHSSA-N 2 0 226.364 1.220 10 0 BDAERP COC[C@@H]1C[N@H+](CCC[NH3+])CC12CCCCC2 ZINC000409433939 350473576 /nfs/dbraw/zinc/47/35/76/350473576.db2.gz NUGWERGVFHMZBP-ZDUSSCGKSA-N 2 0 240.391 1.864 10 0 BDAERP CC(C)[C@H](C)[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000252691540 350914037 /nfs/dbraw/zinc/91/40/37/350914037.db2.gz YIKCLCIPUYALHV-GARJFASQSA-N 2 0 200.326 1.079 10 0 BDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000306787886 351034437 /nfs/dbraw/zinc/03/44/37/351034437.db2.gz WIYSLDAXLYOCKF-MRVPVSSYSA-N 2 0 200.669 1.394 10 0 BDAERP CC(C)(C)[N@@H+]1CCCO[C@H](CC[NH3+])C1 ZINC000616648761 351177274 /nfs/dbraw/zinc/17/72/74/351177274.db2.gz BLEUHRULUCRMDZ-SNVBAGLBSA-N 2 0 200.326 1.225 10 0 BDAERP C[C@H](C[NH2+]CC(C)(C)[NH3+])NC(=O)OC(C)(C)C ZINC000307323055 352017395 /nfs/dbraw/zinc/01/73/95/352017395.db2.gz AJBXWJSASBSEMQ-SECBINFHSA-N 2 0 245.367 1.227 10 0 BDAERP C[C@H]1CN(Cc2ccncc2Cl)C[C@@H]1C[NH3+] ZINC000630076888 363173496 /nfs/dbraw/zinc/17/34/96/363173496.db2.gz LMZDGLHJIDHRME-ONGXEEELSA-N 2 0 239.750 1.762 10 0 BDAERP Brc1cnccc1NCC1C[NH2+]C1 ZINC000307353550 352299373 /nfs/dbraw/zinc/29/93/73/352299373.db2.gz WENVIGSNMIAOMV-UHFFFAOYSA-N 2 0 242.120 1.475 10 0 BDAERP Cc1sc(CC[NH3+])nc1C[NH2+]C(C)C ZINC000725272440 538104186 /nfs/dbraw/zinc/10/41/86/538104186.db2.gz FMALOIBQBORMGC-UHFFFAOYSA-N 2 0 213.350 1.451 10 0 BDAERP C[C@H]1C[C@H](C)C[NH+](C2CCN(CC[NH3+])CC2)C1 ZINC000725273862 538104916 /nfs/dbraw/zinc/10/49/16/538104916.db2.gz NWSAWUIPWASLGS-STQMWFEESA-N 2 0 239.407 1.387 10 0 BDAERP [NH3+]CC[C@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000307100539 353054687 /nfs/dbraw/zinc/05/46/87/353054687.db2.gz XTHHKPAVAZIKJY-LURJTMIESA-N 2 0 220.103 1.737 10 0 BDAERP C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C[NH+]1CCCC1 ZINC000310264327 353134557 /nfs/dbraw/zinc/13/45/57/353134557.db2.gz MHFTUYHTUFVSLW-OLZOCXBDSA-N 2 0 242.407 1.715 10 0 BDAERP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223110007 353136612 /nfs/dbraw/zinc/13/66/12/353136612.db2.gz SUEVMBMZZZPHAP-CHWSQXEVSA-N 2 0 204.317 1.998 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1.564 10 0 BDAERP [NH3+]C1(CN2CC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC000104181008 181331411 /nfs/dbraw/zinc/33/14/11/181331411.db2.gz FZYCMDIRJWMYIO-ZDUSSCGKSA-N 2 0 237.391 1.428 10 0 BDAERP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000629545226 361425806 /nfs/dbraw/zinc/42/58/06/361425806.db2.gz COBQPDKEVLJWNU-PYJNHQTQSA-N 2 0 238.375 1.532 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000629549605 361441249 /nfs/dbraw/zinc/44/12/49/361441249.db2.gz SOHUCWQWUJYFEO-IFWUJCSASA-N 2 0 224.348 1.413 10 0 BDAERP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000629647961 361539358 /nfs/dbraw/zinc/53/93/58/361539358.db2.gz MBJJLEPVSARQGQ-FUNVUKJBSA-N 2 0 238.375 1.818 10 0 BDAERP C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000448549110 201215162 /nfs/dbraw/zinc/21/51/62/201215162.db2.gz XABXSVSPFBUMQA-UPJWGTAASA-N 2 0 226.364 1.316 10 0 BDAERP [NH3+]C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000083585866 181343238 /nfs/dbraw/zinc/34/32/38/181343238.db2.gz 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/nfs/dbraw/zinc/26/80/88/364268088.db2.gz QFYGPQJYORMMHP-MWLCHTKSSA-N 2 0 205.305 1.421 10 0 BDAERP [NH3+]CCN(c1cc[nH+]cc1)C1CCCC1 ZINC000053706173 181390956 /nfs/dbraw/zinc/39/09/56/181390956.db2.gz YPXIBGFVLXHDFR-UHFFFAOYSA-N 2 0 205.305 1.789 10 0 BDAERP C[C@@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000575894866 365407746 /nfs/dbraw/zinc/40/77/46/365407746.db2.gz JTXUPTGKAKPDSH-VHDGCEQUSA-N 2 0 248.370 1.698 10 0 BDAERP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000581005729 367231090 /nfs/dbraw/zinc/23/10/90/367231090.db2.gz DWBFIUFFKWRDOI-AVGNSLFASA-N 2 0 239.407 1.447 10 0 BDAERP C[C@@H]1C[N@@H+]([C@H]2CC[C@@H]2C[NH3+])CCS1 ZINC000252982955 368178166 /nfs/dbraw/zinc/17/81/66/368178166.db2.gz YPJSJJBXXBTJEN-BBBLOLIVSA-N 2 0 200.351 1.161 10 0 BDAERP Cc1cc(NCC2CC[NH2+]CC2)cc[nH+]1 ZINC000107198593 368470040 /nfs/dbraw/zinc/47/00/40/368470040.db2.gz OURHQSVVKKOBJR-UHFFFAOYSA-N 2 0 205.305 1.802 10 0 BDAERP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567639900 326236719 /nfs/dbraw/zinc/23/67/19/326236719.db2.gz CVVCWVIMIKXAHU-AGIUHOORSA-N 2 0 228.380 1.229 10 0 BDAERP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000621775227 370522625 /nfs/dbraw/zinc/52/26/25/370522625.db2.gz IZJQEYCUWBYNPA-BFHYXJOUSA-N 2 0 231.343 1.559 10 0 BDAERP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCCS2)C1 ZINC000226954912 371758751 /nfs/dbraw/zinc/75/87/51/371758751.db2.gz ALIYTBPOPSNXEQ-UWVGGRQHSA-N 2 0 200.351 1.163 10 0 BDAERP C[C@@H]1CSCCN1C[C@@]1(C)CCC[NH2+]1 ZINC000227088552 371781402 /nfs/dbraw/zinc/78/14/02/371781402.db2.gz AHRFEUPPIRJADD-GHMZBOCLSA-N 2 0 214.378 1.566 10 0 BDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(C)(C)[NH3+] ZINC000132465465 371830963 /nfs/dbraw/zinc/83/09/63/371830963.db2.gz XPKGBSJKBVHKTI-ZJUUUORDSA-N 2 0 216.394 1.940 10 0 BDAERP CO[C@]1(C)CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000230270897 371883104 /nfs/dbraw/zinc/88/31/04/371883104.db2.gz DFFSWTFVAMZSRZ-LLVKDONJSA-N 2 0 200.326 1.225 10 0 BDAERP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH+]1CCSCC1 ZINC000405293438 372150013 /nfs/dbraw/zinc/15/00/13/372150013.db2.gz ZMOVIAPEDZBYDM-IUCAKERBSA-N 2 0 200.351 1.161 10 0 BDAERP C[C@@H]1CSCCN1C[C@](C)([NH3+])C1CC1 ZINC000069762464 373729696 /nfs/dbraw/zinc/72/96/96/373729696.db2.gz MKEYHTRYGHWONL-KOLCDFICSA-N 2 0 214.378 1.551 10 0 BDAERP C[C@H]1CSCCN1CC1([NH3+])CCCC1 ZINC000069762542 373730303 /nfs/dbraw/zinc/73/03/03/373730303.db2.gz JAYRRGARYDEMMP-JTQLQIEISA-N 2 0 214.378 1.695 10 0 BDAERP CCCN(CCC)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000019486369 169147400 /nfs/dbraw/zinc/14/74/00/169147400.db2.gz GUQOGTYMEBWMAD-UHFFFAOYSA-N 2 0 241.423 1.922 10 0 BDAERP CCC[N@H+](CCC[NH3+])[C@@H](C)C(=O)N1CCCC1 ZINC000036731939 169156644 /nfs/dbraw/zinc/15/66/44/169156644.db2.gz GONHYKQRUAQUBG-LBPRGKRZSA-N 2 0 241.379 1.058 10 0 BDAERP CCC[N@H+](CCO)CC(C)(C)C[NH2+]CC(C)C ZINC000051252766 169164860 /nfs/dbraw/zinc/16/48/60/169164860.db2.gz COYLTQCMPPUABM-UHFFFAOYSA-N 2 0 244.423 1.963 10 0 BDAERP CCC[NH+]1CCC(C[NH3+])(N(C)CC2CC2)CC1 ZINC000037925266 169186246 /nfs/dbraw/zinc/18/62/46/169186246.db2.gz IVQOAPAZCTUFBX-UHFFFAOYSA-N 2 0 239.407 1.532 10 0 BDAERP CCC[NH2+]C[C@@H](C)CN(C)C1CC[NH+](C)CC1 ZINC000052419796 169261736 /nfs/dbraw/zinc/26/17/36/169261736.db2.gz UCTHEUQLNGRBCT-CYBMUJFWSA-N 2 0 241.423 1.648 10 0 BDAERP CCC[NH2+]C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000042607058 169263865 /nfs/dbraw/zinc/26/38/65/169263865.db2.gz XSOXLLZFIGOCOH-MELADBBJSA-N 2 0 242.407 1.857 10 0 BDAERP CCCO[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000042425458 169311333 /nfs/dbraw/zinc/31/13/33/169311333.db2.gz DKCFCZVJKZGUME-CQSZACIVSA-N 2 0 240.391 1.877 10 0 BDAERP CCC[C@@H](CN(C)CC[NH+]1CCCC1)[NH2+]CC ZINC000063051721 169382983 /nfs/dbraw/zinc/38/29/83/169382983.db2.gz KHKUKDVPIFDGIA-AWEZNQCLSA-N 2 0 241.423 1.792 10 0 BDAERP CCC[C@@](C)(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978489 169448337 /nfs/dbraw/zinc/44/83/37/169448337.db2.gz RRVIMOWTIIIPJQ-KBPBESRZSA-N 2 0 239.407 1.674 10 0 BDAERP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400419762 384261635 /nfs/dbraw/zinc/26/16/35/384261635.db2.gz WOOKRZCMNBKLTJ-IACUBPJLSA-N 2 0 230.355 1.914 10 0 BDAERP Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000335578750 384339576 /nfs/dbraw/zinc/33/95/76/384339576.db2.gz GQOVYBUNHSRNAO-GHMZBOCLSA-N 2 0 205.305 1.351 10 0 BDAERP [NH3+][C@H](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095077241 384353578 /nfs/dbraw/zinc/35/35/78/384353578.db2.gz AVNPUDRFKAASSA-OAHLLOKOSA-N 2 0 248.370 1.608 10 0 BDAERP C[NH+](C)CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745020 384356039 /nfs/dbraw/zinc/35/60/39/384356039.db2.gz FUSVWMCWZZVJML-CQSZACIVSA-N 2 0 234.343 1.963 10 0 BDAERP CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000084222369 384377966 /nfs/dbraw/zinc/37/79/66/384377966.db2.gz AFORADNUJQKUDK-GMTAPVOTSA-N 2 0 200.326 1.128 10 0 BDAERP CCc1ccc([C@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729510 384531358 /nfs/dbraw/zinc/53/13/58/384531358.db2.gz DEJHKTFNBVZJIE-OAHLLOKOSA-N 2 0 248.370 1.706 10 0 BDAERP [NH3+][C@@H](CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000100278774 384630389 /nfs/dbraw/zinc/63/03/89/384630389.db2.gz PYWOWVDBIHYQJK-GJZGRUSLSA-N 2 0 248.370 1.608 10 0 BDAERP C[C@H]([NH2+]CCOC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564824704 384682586 /nfs/dbraw/zinc/68/25/86/384682586.db2.gz PUGUPOBOHVZACN-STQMWFEESA-N 2 0 240.391 1.923 10 0 BDAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)[NH3+])s1 ZINC000308502937 384768885 /nfs/dbraw/zinc/76/88/85/384768885.db2.gz HMBYXKMYLQLJBO-ZETCQYMHSA-N 2 0 213.350 1.587 10 0 BDAERP FC1(F)CC(C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000336232824 385054109 /nfs/dbraw/zinc/05/41/09/385054109.db2.gz ZPROITKAIHTXMM-SNVBAGLBSA-N 2 0 218.291 1.763 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000178473023 385285140 /nfs/dbraw/zinc/28/51/40/385285140.db2.gz GAIAFLNSZPSTFJ-STQMWFEESA-N 2 0 228.380 1.875 10 0 BDAERP COC1(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CCCC1 ZINC000318914363 385522163 /nfs/dbraw/zinc/52/21/63/385522163.db2.gz BZXYENVVHZJDCY-GHMZBOCLSA-N 2 0 212.337 1.367 10 0 BDAERP Cc1[nH+]c(N)nc(NCCC[NH+](C)C)c1C ZINC000211789283 385693869 /nfs/dbraw/zinc/69/38/69/385693869.db2.gz AQMNFPBADFNSDO-UHFFFAOYSA-N 2 0 223.324 1.039 10 0 BDAERP FC1(F)CCC(C[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000335023160 385982822 /nfs/dbraw/zinc/98/28/22/385982822.db2.gz OBAOFQDKLLQRAG-SNVBAGLBSA-N 2 0 218.291 1.763 10 0 BDAERP FC1(F)CCC(C[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000335023159 385982863 /nfs/dbraw/zinc/98/28/63/385982863.db2.gz OBAOFQDKLLQRAG-JTQLQIEISA-N 2 0 218.291 1.763 10 0 BDAERP CCOCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000519539820 386487421 /nfs/dbraw/zinc/48/74/21/386487421.db2.gz UGLBNNVTULRRHX-CHWSQXEVSA-N 2 0 228.380 1.781 10 0 BDAERP C([NH2+]C1CCC2(CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000335497285 386620374 /nfs/dbraw/zinc/62/03/74/386620374.db2.gz SPIKXAASTHEHQI-NSHDSACASA-N 2 0 208.349 1.908 10 0 BDAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)c(F)cc(F)c1F ZINC000575438101 387112970 /nfs/dbraw/zinc/11/29/70/387112970.db2.gz CNFRUTLSILBXPH-SSDOTTSWSA-N 2 0 236.212 1.982 10 0 BDAERP FC1(F)CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000335024225 387115183 /nfs/dbraw/zinc/11/51/83/387115183.db2.gz AWKALMGTYYUKGW-UHFFFAOYSA-N 2 0 218.291 1.906 10 0 BDAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000575439859 387126397 /nfs/dbraw/zinc/12/63/97/387126397.db2.gz WJBFYXAHTYNVRN-SNVBAGLBSA-N 2 0 222.288 1.544 10 0 BDAERP COc1ccc(F)c([C@H]([NH3+])CCC[NH3+])c1F ZINC000575438289 387129887 /nfs/dbraw/zinc/12/98/87/387129887.db2.gz ICCSWJNNPNUPNF-MRVPVSSYSA-N 2 0 230.258 1.712 10 0 BDAERP C[C@@H]1C[C@H](C2CC[NH2+]CC2)C[C@@H](O)[N@@H+]1C ZINC000536950644 387162152 /nfs/dbraw/zinc/16/21/52/387162152.db2.gz QNJMGHVWOFZSOG-ADEWGFFLSA-N 2 0 212.337 1.035 10 0 BDAERP [NH3+]Cc1cn(C(F)F)c2c1CCC[C@H]2[NH3+] ZINC000536954879 387168052 /nfs/dbraw/zinc/16/80/52/387168052.db2.gz QVJQBPNBNOXXKE-MRVPVSSYSA-N 2 0 215.247 1.678 10 0 BDAERP C[C@@H]([NH2+]CCCOC(F)F)[C@H]1CCC[NH2+]C1 ZINC000643488132 387361597 /nfs/dbraw/zinc/36/15/97/387361597.db2.gz HJHQVTCGPWTYSL-ZJUUUORDSA-N 2 0 236.306 1.593 10 0 BDAERP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000515516623 387385765 /nfs/dbraw/zinc/38/57/65/387385765.db2.gz AHOUOTHZMUSMAG-ZIAGYGMSSA-N 2 0 241.423 1.696 10 0 BDAERP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000396923421 387515166 /nfs/dbraw/zinc/51/51/66/387515166.db2.gz POKPFQBOBZAMTQ-HTQZYQBOSA-N 2 0 210.243 1.526 10 0 BDAERP C[C@@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCC[NH2+]C1 ZINC000643471299 387479540 /nfs/dbraw/zinc/47/95/40/387479540.db2.gz OXVCXKPISVAEKL-ZIHBUVQPSA-N 2 0 240.391 1.515 10 0 BDAERP CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000400430824 387699645 /nfs/dbraw/zinc/69/96/45/387699645.db2.gz BPZNZRNUOZRXKZ-AVGNSLFASA-N 2 0 225.380 1.058 10 0 BDAERP C[C@H](CN[C@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000129243094 387766654 /nfs/dbraw/zinc/76/66/54/387766654.db2.gz JTFSAXRPFLLPIT-KGLIPLIRSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000643457189 387808493 /nfs/dbraw/zinc/80/84/93/387808493.db2.gz CRTQLJLTMJINCY-CRWXNKLISA-N 2 0 240.391 1.515 10 0 BDAERP CC1(C)CC(N2CC[C@H](C[NH3+])C2)CC(C)(C)[NH2+]1 ZINC000071575477 388100578 /nfs/dbraw/zinc/10/05/78/388100578.db2.gz VHISTVIFBWNPJH-LLVKDONJSA-N 2 0 239.407 1.576 10 0 BDAERP CC[NH+](CC)CCC[C@@H](C)N[C@H]1CC[NH2+]C1 ZINC000086724712 388108368 /nfs/dbraw/zinc/10/83/68/388108368.db2.gz SLKNLMABKPWFTA-OLZOCXBDSA-N 2 0 227.396 1.448 10 0 BDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CSC1(C)C ZINC000393881114 388444960 /nfs/dbraw/zinc/44/49/60/388444960.db2.gz LRGSEFCWWVLZAN-UWVGGRQHSA-N 2 0 216.394 1.988 10 0 BDAERP Cc1cccnc1CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000404961074 388447905 /nfs/dbraw/zinc/44/79/05/388447905.db2.gz VJINBZNOCLJREW-OLZOCXBDSA-N 2 0 233.359 1.520 10 0 BDAERP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C(C)(C)O ZINC000394005861 388448764 /nfs/dbraw/zinc/44/87/64/388448764.db2.gz UWBCHPIDISVBAJ-MNOVXSKESA-N 2 0 214.353 1.268 10 0 BDAERP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000530224979 388634257 /nfs/dbraw/zinc/63/42/57/388634257.db2.gz NLWALHJBXXIWFU-GUDRVLHUSA-N 2 0 212.337 1.140 10 0 BDAERP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]1CCC[NH2+]C1 ZINC000566088882 388986814 /nfs/dbraw/zinc/98/68/14/388986814.db2.gz FOVQISWERCHGML-RYUDHWBXSA-N 2 0 242.407 1.761 10 0 BDAERP C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400390088 533381373 /nfs/dbraw/zinc/38/13/73/533381373.db2.gz ZMNRIJSCOUEATC-ZIAGYGMSSA-N 2 0 239.407 1.450 10 0 BDAERP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400390051 533394205 /nfs/dbraw/zinc/39/42/05/533394205.db2.gz ZLBPLWQDNQZXDC-ZIAGYGMSSA-N 2 0 239.407 1.306 10 0 BDAERP C[C@@H](NCC[NH+]1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400332308 533395122 /nfs/dbraw/zinc/39/51/22/533395122.db2.gz GFTVYJAQLKTSMP-ZIAGYGMSSA-N 2 0 239.407 1.450 10 0 BDAERP C[NH+](C)C1CCN(c2ncccc2C[NH3+])CC1 ZINC000036190842 132340776 /nfs/dbraw/zinc/34/07/76/132340776.db2.gz 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/nfs/dbraw/zinc/20/40/45/135204045.db2.gz WMDGJYQZTISRCK-GFCCVEGCSA-N 2 0 236.363 1.288 10 0 BDAERP CCC1(C[NH2+]C[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000261586694 135227897 /nfs/dbraw/zinc/22/78/97/135227897.db2.gz RITJPXQHRDTOOJ-LBPRGKRZSA-N 2 0 226.364 1.535 10 0 BDAERP CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261997995 135270769 /nfs/dbraw/zinc/27/07/69/135270769.db2.gz SZZWDMBPLYOOSB-NWDGAFQWSA-N 2 0 226.364 1.472 10 0 BDAERP CCC1(C)CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000262133918 135280302 /nfs/dbraw/zinc/28/03/02/135280302.db2.gz OJKYZMWDFBABTP-AHPWVWPOSA-N 2 0 240.391 1.515 10 0 BDAERP c1cnn([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000262302314 135291583 /nfs/dbraw/zinc/29/15/83/135291583.db2.gz XSYRPHAYPXMLSJ-AWEZNQCLSA-N 2 0 248.374 1.520 10 0 BDAERP C[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@H]1O ZINC000299891584 135381121 /nfs/dbraw/zinc/38/11/21/135381121.db2.gz WHTVQZKFMLVFOV-QWHCGFSZSA-N 2 0 226.364 1.175 10 0 BDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+](C)C ZINC000082718269 135441128 /nfs/dbraw/zinc/44/11/28/135441128.db2.gz RIUQTRYQNPDJTP-CHWSQXEVSA-N 2 0 225.380 1.107 10 0 BDAERP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000231296202 135591904 /nfs/dbraw/zinc/59/19/04/135591904.db2.gz QUVPWWZWPVABOV-IKWCTNDRSA-N 2 0 226.364 1.397 10 0 BDAERP CCN1CC[N@H+](Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000584627189 398080205 /nfs/dbraw/zinc/08/02/05/398080205.db2.gz OSLMDZNWBSEOON-OAHLLOKOSA-N 2 0 247.386 1.542 10 0 BDAERP [NH3+][C@@H]1CC[NH2+][C@@H](Cc2ccc(Cl)cc2)C1 ZINC000147071791 398096852 /nfs/dbraw/zinc/09/68/52/398096852.db2.gz SGVKWPSGJHWMGH-NEPJUHHUSA-N 2 0 224.735 1.962 10 0 BDAERP CC(C)N1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1 ZINC000045659841 167024574 /nfs/dbraw/zinc/02/45/74/167024574.db2.gz TYEZGOUUIDLCLM-ZDUSSCGKSA-N 2 0 225.380 1.140 10 0 BDAERP CC(C)[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCC1 ZINC000061711818 167099254 /nfs/dbraw/zinc/09/92/54/167099254.db2.gz BLVGFSRIYOEVRE-CYBMUJFWSA-N 2 0 240.391 1.611 10 0 BDAERP C[C@H]([NH2+]CCc1ccoc1)[C@H]1CC[NH2+]C1 ZINC000665261448 410737630 /nfs/dbraw/zinc/73/76/30/410737630.db2.gz CQFPUIIEMGCFPE-JQWIXIFHSA-N 2 0 208.305 1.410 10 0 BDAERP CC[NH+](CC)CCC[C@@H](C)N1C[C@H]([NH3+])CC1=O ZINC000035679738 169775620 /nfs/dbraw/zinc/77/56/20/169775620.db2.gz IMKHFRBMXRMZIH-VXGBXAGGSA-N 2 0 241.379 1.057 10 0 BDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CC2)O1 ZINC000052445585 167006063 /nfs/dbraw/zinc/00/60/63/167006063.db2.gz VEUPOYYPVVJXHX-KBPBESRZSA-N 2 0 240.391 1.874 10 0 BDAERP CC(C)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000119381832 167006800 /nfs/dbraw/zinc/00/68/00/167006800.db2.gz VTOOEKVVGOFTPZ-LBPRGKRZSA-N 2 0 214.353 1.079 10 0 BDAERP CC(C)[NH2+]CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C)C1 ZINC000062971803 167102434 /nfs/dbraw/zinc/10/24/34/167102434.db2.gz WYATXTGCXRCMHG-KGLIPLIRSA-N 2 0 241.423 1.789 10 0 BDAERP CC(C)[NH2+]CCN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000127729520 167107100 /nfs/dbraw/zinc/10/71/00/167107100.db2.gz YXBQBUFCQYTAGQ-VXGBXAGGSA-N 2 0 213.369 1.009 10 0 BDAERP CC(C)[NH2+]Cc1cc(COCC[NH+](C)C)on1 ZINC000052669643 167116148 /nfs/dbraw/zinc/11/61/48/167116148.db2.gz QRIVOKMIDUXKNR-UHFFFAOYSA-N 2 0 241.335 1.251 10 0 BDAERP CC(C)[NH2+][C@@]1(CN)CCc2ccccc2C1 ZINC000050271006 167136451 /nfs/dbraw/zinc/13/64/51/167136451.db2.gz CHQCPVKLLQNASU-AWEZNQCLSA-N 2 0 218.344 1.871 10 0 BDAERP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000656199704 411203778 /nfs/dbraw/zinc/20/37/78/411203778.db2.gz BCURUEGZONNUBU-UONOGXRCSA-N 2 0 247.386 1.829 10 0 BDAERP Cc1cc(NCCC2(C[NH3+])CC2)cc[nH+]1 ZINC000395850161 411255502 /nfs/dbraw/zinc/25/55/02/411255502.db2.gz DWUULKISYSRZPZ-UHFFFAOYSA-N 2 0 205.305 1.353 10 0 BDAERP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000653760096 411333895 /nfs/dbraw/zinc/33/38/95/411333895.db2.gz HAPROPXAPTXAPM-CYBMUJFWSA-N 2 0 240.391 1.611 10 0 BDAERP CC[NH+]1CCC(N(C)[C@H]2CCC[NH2+]C2)CC1 ZINC000042680046 169953663 /nfs/dbraw/zinc/95/36/63/169953663.db2.gz RUDHYOZPLNZLDK-ZDUSSCGKSA-N 2 0 225.380 1.155 10 0 BDAERP CC[NH+]1CCC(N(C)c2cc[nH+]c(CO)c2)CC1 ZINC000042681233 169953759 /nfs/dbraw/zinc/95/37/59/169953759.db2.gz DPOGZSMLKLKUAK-UHFFFAOYSA-N 2 0 249.358 1.494 10 0 BDAERP CC[N@@H+]1CC[C@H](CN2CCC[NH2+]CCC2)C1 ZINC000049666736 170014327 /nfs/dbraw/zinc/01/43/27/170014327.db2.gz HPAHYAHOXKAVIE-ZDUSSCGKSA-N 2 0 225.380 1.014 10 0 BDAERP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000336906990 170022555 /nfs/dbraw/zinc/02/25/55/170022555.db2.gz YKYGDMAGLMJXMK-MELADBBJSA-N 2 0 237.391 1.297 10 0 BDAERP CCNC(=O)CC[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000051757627 170050332 /nfs/dbraw/zinc/05/03/32/170050332.db2.gz MUWAVECEFRFIOJ-UHFFFAOYSA-N 2 0 249.358 1.103 10 0 BDAERP CC[NH2+]C1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000037241472 170109518 /nfs/dbraw/zinc/10/95/18/170109518.db2.gz WVCXKOHPWHPFLP-AWEZNQCLSA-N 2 0 237.391 1.155 10 0 BDAERP CC[NH2+]C[C@H](C)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942495 170122258 /nfs/dbraw/zinc/12/22/58/170122258.db2.gz NXWVAOFPWLDCIH-UONOGXRCSA-N 2 0 239.407 1.402 10 0 BDAERP CC[NH2+]Cc1ccoc1C[NH+]1CCCC1 ZINC000052377363 170129584 /nfs/dbraw/zinc/12/95/84/170129584.db2.gz QZDXUPNUWWRCBD-UHFFFAOYSA-N 2 0 208.305 1.985 10 0 BDAERP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCSCC1 ZINC000053864310 170151706 /nfs/dbraw/zinc/15/17/06/170151706.db2.gz YHPYJYNUFYBXNO-NWDGAFQWSA-N 2 0 228.405 1.813 10 0 BDAERP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC000049712913 170152302 /nfs/dbraw/zinc/15/23/02/170152302.db2.gz UMHZFZFGZRTFDO-BFHYXJOUSA-N 2 0 239.407 1.258 10 0 BDAERP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCSCC1 ZINC000053864312 170167173 /nfs/dbraw/zinc/16/71/73/170167173.db2.gz YHPYJYNUFYBXNO-RYUDHWBXSA-N 2 0 228.405 1.813 10 0 BDAERP CCOC(CN1CCC[C@H](C[NH2+]C)C1)OCC ZINC000104353213 170314701 /nfs/dbraw/zinc/31/47/01/170314701.db2.gz YYJZPHVIYISJRR-GFCCVEGCSA-N 2 0 244.379 1.317 10 0 BDAERP CCOC1CC[NH+]([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000040689238 170333031 /nfs/dbraw/zinc/33/30/31/170333031.db2.gz UKUHNCRJEZHEGZ-QWHCGFSZSA-N 2 0 226.364 1.757 10 0 BDAERP CC[C@@H](C)[NH2+]CC(=O)NCCC[NH+](CC)CC ZINC000037616939 170750270 /nfs/dbraw/zinc/75/02/70/170750270.db2.gz WUDMAKBYPDRWIK-GFCCVEGCSA-N 2 0 243.395 1.223 10 0 BDAERP CC[C@@H](CN1CC[C@H]([NH+]2CCCCC2)C1)[NH2+]C ZINC000062979498 170822972 /nfs/dbraw/zinc/82/29/72/170822972.db2.gz PEPKCOGSXTUIMU-KBPBESRZSA-N 2 0 239.407 1.545 10 0 BDAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)CC[NH+](C)C)C1 ZINC000104188856 171039886 /nfs/dbraw/zinc/03/98/86/171039886.db2.gz OQDIOFANSXSMHG-HZSPNIEDSA-N 2 0 241.423 1.633 10 0 BDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](CCO)C(C)C)C1 ZINC000042478614 171055393 /nfs/dbraw/zinc/05/53/93/171055393.db2.gz ICKXPBPORULOOJ-MGPQQGTHSA-N 2 0 242.407 1.843 10 0 BDAERP CC[C@@H]1CN(CC(CC)(CC)C[NH3+])CC[N@@H+]1C ZINC000104134981 171075809 /nfs/dbraw/zinc/07/58/09/171075809.db2.gz VJLDWXJOHGCEQZ-CYBMUJFWSA-N 2 0 241.423 1.778 10 0 BDAERP CC[C@@H]1CN(CC[C@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000104132358 171084949 /nfs/dbraw/zinc/08/49/49/171084949.db2.gz 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BDAERP C[C@@H]1SC2(C[C@H]1[NH3+])CC[NH+](C)CC2 ZINC000082382754 176488050 /nfs/dbraw/zinc/48/80/50/176488050.db2.gz LQFIBMFRXDADPN-DTWKUNHWSA-N 2 0 200.351 1.304 10 0 BDAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(C)c1 ZINC000051694625 176828535 /nfs/dbraw/zinc/82/85/35/176828535.db2.gz IMOCXWIXOUYDJZ-GCVQQVDUSA-N 2 0 222.336 1.341 10 0 BDAERP C[C@H](c1cnccn1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010856 177051603 /nfs/dbraw/zinc/05/16/03/177051603.db2.gz KSWDIRNDULNFOB-LLVKDONJSA-N 2 0 234.347 1.469 10 0 BDAERP C[C@H]1CCCC[N@@H+]1CCCN1CC[C@H](C[NH3+])C1 ZINC000034651137 177075985 /nfs/dbraw/zinc/07/59/85/177075985.db2.gz MPYGIXBIYDOPJC-UONOGXRCSA-N 2 0 239.407 1.532 10 0 BDAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccnc1 ZINC000042427387 177189931 /nfs/dbraw/zinc/18/99/31/177189931.db2.gz YUCCHUAENAWAOM-RYUDHWBXSA-N 2 0 219.332 1.641 10 0 BDAERP C[C@@H]1C[N@H+](C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000055144210 177242753 /nfs/dbraw/zinc/24/27/53/177242753.db2.gz SPUNAZQUSHKSBT-ZYANWLCNSA-N 2 0 212.337 1.366 10 0 BDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]cn1 ZINC000245766241 177280982 /nfs/dbraw/zinc/28/09/82/177280982.db2.gz QWCLIKYQQOGTGU-JQWIXIFHSA-N 2 0 220.320 1.078 10 0 BDAERP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)C2)S1 ZINC000044538316 177281495 /nfs/dbraw/zinc/28/14/95/177281495.db2.gz SRCNHYBCDYBNQM-UWVGGRQHSA-N 2 0 227.377 1.409 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCc2ccccn2)C1 ZINC000049666561 177285279 /nfs/dbraw/zinc/28/52/79/177285279.db2.gz OOSLKUOTXNVDSL-KBPBESRZSA-N 2 0 247.386 1.802 10 0 BDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C[C@@H]2CCCCO2)C1 ZINC000042824655 177285991 /nfs/dbraw/zinc/28/59/91/177285991.db2.gz UXINUUZTIJIZFB-IHRRRGAJSA-N 2 0 240.391 1.733 10 0 BDAERP C[C@H]1COCC[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050952661 177290810 /nfs/dbraw/zinc/29/08/10/177290810.db2.gz ABCLVLLXWSRJPI-STQMWFEESA-N 2 0 226.364 1.629 10 0 BDAERP C[C@H]1COCC[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764353 177291650 /nfs/dbraw/zinc/29/16/50/177291650.db2.gz IALDOYIAYDTJMB-RYUDHWBXSA-N 2 0 212.337 1.239 10 0 BDAERP C[C@H]([NH2+]C[C@H]1CCCCS1)[C@H]1CC[NH2+]C1 ZINC000400341725 226341262 /nfs/dbraw/zinc/34/12/62/226341262.db2.gz GWQIJGXDNHTFLF-SDDRHHMPSA-N 2 0 228.405 1.860 10 0 BDAERP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400512111 226345212 /nfs/dbraw/zinc/34/52/12/226345212.db2.gz FQWSERZPJKDPBH-SNPRPXQTSA-N 2 0 248.370 1.178 10 0 BDAERP CC[C@H](O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566555657 323004792 /nfs/dbraw/zinc/00/47/92/323004792.db2.gz HHSTZZZSDOQOFC-WOPDTQHZSA-N 2 0 214.353 1.125 10 0 BDAERP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000248577709 323025641 /nfs/dbraw/zinc/02/56/41/323025641.db2.gz HUJJEEFBVASECJ-YNEHKIRRSA-N 2 0 226.364 1.628 10 0 BDAERP C[C@H](O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000570515670 323061494 /nfs/dbraw/zinc/06/14/94/323061494.db2.gz NROIECFBRJLLSK-AVGNSLFASA-N 2 0 226.364 1.079 10 0 BDAERP C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000571157290 323136990 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Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000568618536 326367929 /nfs/dbraw/zinc/36/79/29/326367929.db2.gz KTKISMTVBFQRPO-NWDGAFQWSA-N 2 0 222.332 1.718 10 0 BDAERP OCC[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000220371344 487980667 /nfs/dbraw/zinc/98/06/67/487980667.db2.gz VYXXIGQJYFKZDW-CHWSQXEVSA-N 2 0 226.364 1.080 10 0 BDAERP CCC[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000389517737 488099455 /nfs/dbraw/zinc/09/94/55/488099455.db2.gz GICPTFAOQLQQNW-STQMWFEESA-N 2 0 225.380 1.202 10 0 BDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379448699 488137393 /nfs/dbraw/zinc/13/73/93/488137393.db2.gz INEINAWZDIYDFN-GFCCVEGCSA-N 2 0 228.380 1.466 10 0 BDAERP C[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000054076155 488206411 /nfs/dbraw/zinc/20/64/11/488206411.db2.gz HBYDNOYEHUIGGT-AAEUAGOBSA-N 2 0 249.358 1.013 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000086403429 490414459 /nfs/dbraw/zinc/41/44/59/490414459.db2.gz YVIHUZFQQRTMJU-UTUOFQBUSA-N 2 0 212.337 1.415 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757146385 582529538 /nfs/dbraw/zinc/52/95/38/582529538.db2.gz KJHYNDFTIGWYOA-UHFFFAOYSA-N 2 0 212.337 1.587 10 0 BDAERP C[C@H]1CC[NH2+]C[C@H]1c1ccc(C[NH3+])cc1 ZINC000757216077 582560414 /nfs/dbraw/zinc/56/04/14/582560414.db2.gz PFBYKGZWLDSQQH-GXFFZTMASA-N 2 0 204.317 1.858 10 0 BDAERP C[C@H]([NH2+]CCc1cccs1)[C@H]1CC[NH2+]C1 ZINC000400436802 533875469 /nfs/dbraw/zinc/87/54/69/533875469.db2.gz MWRFOCJQVYKQDS-QWRGUYRKSA-N 2 0 224.373 1.878 10 0 BDAERP CC(C)(C)C[C@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC000226068284 534649509 /nfs/dbraw/zinc/64/95/09/534649509.db2.gz OUHOETPWJJFEGW-NSHDSACASA-N 2 0 214.353 1.125 10 0 BDAERP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000226066176 534651417 /nfs/dbraw/zinc/65/14/17/534651417.db2.gz GXOHUCHONGBMCS-NEPJUHHUSA-N 2 0 228.380 1.515 10 0 BDAERP C[NH2+]Cc1cccnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000069051713 536470947 /nfs/dbraw/zinc/47/09/47/536470947.db2.gz FTLXUCCGXFULDN-UHFFFAOYSA-N 2 0 248.374 1.331 10 0 BDAERP CC(C)CSCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400466932 528226941 /nfs/dbraw/zinc/22/69/41/528226941.db2.gz WHORPRQFAJPTEH-RYUDHWBXSA-N 2 0 230.421 1.963 10 0 BDAERP CCSCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400509334 529178285 /nfs/dbraw/zinc/17/82/85/529178285.db2.gz ITSVFCZNSQHBOU-QWRGUYRKSA-N 2 0 216.394 1.717 10 0 BDAERP CC(C)[C@H](CN[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000086725754 535019759 /nfs/dbraw/zinc/01/97/59/535019759.db2.gz COKCTRHCJQRYQH-OLZOCXBDSA-N 2 0 225.380 1.058 10 0 BDAERP CC(C)[NH+]1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000036170426 535201069 /nfs/dbraw/zinc/20/10/69/535201069.db2.gz RCYZMFTWHVXKTD-UHFFFAOYSA-N 2 0 234.347 1.071 10 0 BDAERP CCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)CCOCC1 ZINC000261544976 535297160 /nfs/dbraw/zinc/29/71/60/535297160.db2.gz FLLJQPJDYLIEQN-CHWSQXEVSA-N 2 0 240.391 1.781 10 0 BDAERP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCC[C@H]1O ZINC000252921702 536346455 /nfs/dbraw/zinc/34/64/55/536346455.db2.gz HMJUIGKJIBSYIM-ZIAGYGMSSA-N 2 0 240.391 1.708 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@@]12CCCN2CC[NH+](C)C ZINC000757134175 582510666 /nfs/dbraw/zinc/51/06/66/582510666.db2.gz WLUJOXCGSLKXBQ-QWHCGFSZSA-N 2 0 225.380 1.155 10 0 BDAERP C[C@@H]1CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757139114 582518653 /nfs/dbraw/zinc/51/86/53/582518653.db2.gz FKSVUQBZYKTCBQ-SNVBAGLBSA-N 2 0 210.321 1.339 10 0 BDAERP CC[NH+]1CCC2(CC1)[NH2+][C@H](C)C1(CC1)CO2 ZINC000757144993 582526210 /nfs/dbraw/zinc/52/62/10/582526210.db2.gz OAAQWKKOHHMMIR-LLVKDONJSA-N 2 0 224.348 1.587 10 0 BDAERP CC(C)(CC(F)F)CN1CC[C@H]1C[NH3+] ZINC000757148429 582533253 /nfs/dbraw/zinc/53/32/53/582533253.db2.gz SUZYDUZIARNEFA-QMMMGPOBSA-N 2 0 206.280 1.701 10 0 BDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757218706 582563572 /nfs/dbraw/zinc/56/35/72/582563572.db2.gz VXSBSPVGRFNKQJ-HONMWMINSA-N 3 0 233.359 1.533 10 0 BDAERP Cc1cn2c([nH+]1)N[C@@H]([C@H]1CCC[NH2+]C1)CC2 ZINC000236044527 582636886 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ZINC000757217673 586441913 /nfs/dbraw/zinc/44/19/13/586441913.db2.gz RXMXFRJMEWWYRU-GWCFXTLKSA-N 2 0 204.317 1.858 10 0 BDAERP Cc1ccc(N)cc1[C@@H]1NCC[C@H](C)[C@H]1[NH3+] ZINC000757230018 586442661 /nfs/dbraw/zinc/44/26/61/586442661.db2.gz FTXMMFJZSSNLLZ-BIMULSAOSA-N 2 0 219.332 1.575 10 0 BDAERP N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C2CC2)c(C[NH3+])c1 ZINC000757232748 586443079 /nfs/dbraw/zinc/44/30/79/586443079.db2.gz JIGQPUZJHSRLMD-HUUCEWRRSA-N 2 0 245.370 1.427 10 0 BDAERP [NH3+]Cc1cc([C@@H]2C[C@@H]([NH3+])CC[NH2+]2)ccc1C1CC1 ZINC000757237125 586443860 /nfs/dbraw/zinc/44/38/60/586443860.db2.gz PKVBPCRFNDVSOY-ZFWWWQNUSA-N 3 0 245.370 1.775 10 0 BDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000250869158 635701675 /nfs/dbraw/zinc/70/16/75/635701675.db2.gz XWURPFUTZWATFR-WZRBSPASSA-N 2 0 232.327 1.980 10 0 BDAERP C[C@@H]1[NH2+]CCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000396706789 634079011 /nfs/dbraw/zinc/07/90/11/634079011.db2.gz JVXVKPUKUGFPEY-AAEUAGOBSA-N 2 0 225.380 1.153 10 0 BDAERP [NH3+][C@H](CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000669372611 636549795 /nfs/dbraw/zinc/54/97/95/636549795.db2.gz UJSVKIRFCWJBTC-ZIAGYGMSSA-N 2 0 218.344 1.946 10 0 BDAERP CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000226076127 640727100 /nfs/dbraw/zinc/72/71/00/640727100.db2.gz ACPNTRASWZYKEU-NEPJUHHUSA-N 2 0 214.353 1.125 10 0 BDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000071190951 643105412 /nfs/dbraw/zinc/10/54/12/643105412.db2.gz ZKNMXJOIOLOPBS-ZIAGYGMSSA-N 3 0 239.407 1.260 10 0 BDAERP CCC[C@@H]1CC[NH2+]C2(CC[NH+](C)CC2)O1 ZINC000757142166 643301471 /nfs/dbraw/zinc/30/14/71/643301471.db2.gz CUBOWIYRIIHPQI-LLVKDONJSA-N 2 0 212.337 1.587 10 0 BDAERP [NH3+]C[C@@H]1CCN1C[C@@H]1CCCC(F)(F)C1 ZINC000757149113 643333939 /nfs/dbraw/zinc/33/39/39/643333939.db2.gz XKFTXZGWUPZNFT-ZJUUUORDSA-N 2 0 218.291 1.845 10 0 BDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757151929 643340790 /nfs/dbraw/zinc/34/07/90/643340790.db2.gz RYHMUOADDIHUGS-OLZOCXBDSA-N 2 0 224.348 1.587 10 0 BDAERP C[C@@]1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000094462568 644717870 /nfs/dbraw/zinc/71/78/70/644717870.db2.gz UVJJYZYMMWUAPY-ZIAGYGMSSA-N 2 0 237.391 1.156 10 0 BDAERP C(C[NH2+]C1CC1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094439106 644719002 /nfs/dbraw/zinc/71/90/02/644719002.db2.gz QODRXXYOROSICW-AWEZNQCLSA-N 2 0 237.391 1.299 10 0 BDAERP [NH3+]CCCCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094440598 644719101 /nfs/dbraw/zinc/71/91/01/644719101.db2.gz LCFVHNSBZRBXTL-AWEZNQCLSA-N 2 0 239.407 1.676 10 0 BDAERP CC[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000724009752 711555399 /nfs/dbraw/zinc/55/53/99/711555399.db2.gz NZAZDPZTOHLIHN-YPMHNXCESA-N 2 0 226.364 1.533 10 0 BDAERP C[N@H+](C[C@H]1CC(C)(C)CO1)[C@@H]1CCC[NH2+]CC1 ZINC000708347534 712190059 /nfs/dbraw/zinc/19/00/59/712190059.db2.gz JCSZGUFZCCTWPG-CHWSQXEVSA-N 2 0 240.391 1.875 10 0 BDAERP C[C@H]1C[N@H+](CCCCCCO)C[C@@H]1C[NH3+] ZINC000708861259 712201389 /nfs/dbraw/zinc/20/13/89/712201389.db2.gz GKFJXWDIRRPLME-RYUDHWBXSA-N 2 0 214.353 1.066 10 0 BDAERP CC(C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000711103259 712280567 /nfs/dbraw/zinc/28/05/67/712280567.db2.gz XWZRLEZHQBTWGC-XQQFMLRXSA-N 2 0 228.380 1.371 10 0 BDAERP CC(C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000711103257 712280822 /nfs/dbraw/zinc/28/08/22/712280822.db2.gz XWZRLEZHQBTWGC-UPJWGTAASA-N 2 0 228.380 1.371 10 0 BDAERP CC1(C)CO[C@H](CC[NH2+]C2CC[NH2+]CC2)C1 ZINC000717271353 712642023 /nfs/dbraw/zinc/64/20/23/712642023.db2.gz RZAOCMXNZYNXSR-GFCCVEGCSA-N 2 0 226.364 1.533 10 0 BDAERP Cc1c[nH+]ccc1N[C@H]1C[NH2+]CC1(C)C ZINC000721899161 710690907 /nfs/dbraw/zinc/69/09/07/710690907.db2.gz PWRUHFZUYZNCSD-NSHDSACASA-N 2 0 205.305 1.222 10 0 BDAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000723119263 711505030 /nfs/dbraw/zinc/50/50/30/711505030.db2.gz XSIDXUFHAWDGOP-SJHCENCUSA-N 2 0 208.349 1.702 10 0 BDAERP Cc1cc(C)nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000723877185 711542530 /nfs/dbraw/zinc/54/25/30/711542530.db2.gz RMDOICGWCPNBNO-CFVMTHIKSA-N 2 0 245.370 1.868 10 0 BDAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000722312391 711734705 /nfs/dbraw/zinc/73/47/05/711734705.db2.gz KUMWMRSDBFXJST-QWHCGFSZSA-N 2 0 224.348 1.286 10 0 BDAERP C[C@@H]1CN(C[C@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000708341352 712188975 /nfs/dbraw/zinc/18/89/75/712188975.db2.gz RWNABHMWWQEAOI-MXWKQRLJSA-N 2 0 212.337 1.081 10 0 BDAERP C[N@H+](C[C@H]1CC(C)(C)CO1)[C@H]1CCC[NH2+]CC1 ZINC000708347536 712190219 /nfs/dbraw/zinc/19/02/19/712190219.db2.gz JCSZGUFZCCTWPG-QWHCGFSZSA-N 2 0 240.391 1.875 10 0 BDAERP Cc1c(C[N@H+](C)CCCCCC[NH3+])cnn1C ZINC000710817451 712257102 /nfs/dbraw/zinc/25/71/02/712257102.db2.gz ADKDFQYSVBGRKD-UHFFFAOYSA-N 2 0 238.379 1.679 10 0 BDAERP CCC1([NH3+])CC[NH+]([C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000714752967 712497143 /nfs/dbraw/zinc/49/71/43/712497143.db2.gz GKRXJSHOUNHGAW-SDDRHHMPSA-N 2 0 226.364 1.756 10 0 BDAERP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CC[NH2+]C1 ZINC000717613167 712662277 /nfs/dbraw/zinc/66/22/77/712662277.db2.gz ICADVLDTGLESLC-TUAOUCFPSA-N 2 0 226.364 1.389 10 0 BDAERP