smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCCc2cc(CN3CC[C@@H]([NH3+])[C@H](F)CC3)ccc21 ZINC001206163354 815349847 /nfs/dbraw/zinc/34/98/47/815349847.db2.gz BUPFADBAAHPETF-HZPDHXFCSA-N 1 3 291.414 2.330 20 10 CECDHO CCC[NH+]1C[C@@H]2CN(Cc3cc(C)ccc3O)C[C@H]2C1 ZINC001140623200 816306956 /nfs/dbraw/zinc/30/69/56/816306956.db2.gz KMESMNKLCOTSNI-HZPDHXFCSA-N 1 3 274.408 2.474 20 10 CECDHO CC[NH+]1CCC(NCc2ccc(N(C)C)cc2)CC1 ZINC000020146010 171031971 /nfs/dbraw/zinc/03/19/71/171031971.db2.gz NQSZCKTYARQMTG-UHFFFAOYSA-N 1 3 261.413 2.327 20 10 CECDHO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1O ZINC000894172296 629188247 /nfs/dbraw/zinc/18/82/47/629188247.db2.gz HHWNKSTWTUPOGA-ZDUSSCGKSA-N 1 3 290.407 2.283 20 10 CECDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000817887683 633752094 /nfs/dbraw/zinc/75/20/94/633752094.db2.gz CDBBDTVYTMWYMY-KBPBESRZSA-N 1 3 293.480 2.455 20 10 CECDHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977749 633821062 /nfs/dbraw/zinc/82/10/62/633821062.db2.gz OCIQQWVBASRZCU-AGIUHOORSA-N 1 3 295.402 2.049 20 10 CECDHO CCOc1cccc(CN[C@H](C[NH3+])C2CCCC2)c1O ZINC000841087454 639651747 /nfs/dbraw/zinc/65/17/47/639651747.db2.gz NTVUBFZQSVWUJB-CQSZACIVSA-N 1 3 278.396 2.398 20 10 CECDHO Cc1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000843047577 640252830 /nfs/dbraw/zinc/25/28/30/640252830.db2.gz XTHDJVVUAAPTHD-YIONKMFJSA-N 1 3 260.381 2.415 20 10 CECDHO CCN(CC)c1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048520 640252968 /nfs/dbraw/zinc/25/29/68/640252968.db2.gz FDSFQFMWAZUSNG-HNNXBMFYSA-N 1 3 261.413 2.313 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c([O-])c1 ZINC000843112657 640285497 /nfs/dbraw/zinc/28/54/97/640285497.db2.gz KWZXPBOXMGIWGZ-CYBMUJFWSA-N 1 3 278.396 2.352 20 10 CECDHO CCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c([O-])c1 ZINC000843112657 640285506 /nfs/dbraw/zinc/28/55/06/640285506.db2.gz KWZXPBOXMGIWGZ-CYBMUJFWSA-N 1 3 278.396 2.352 20 10 CECDHO [O-]c1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843127290 640294642 /nfs/dbraw/zinc/29/46/42/640294642.db2.gz PNNVOKUQGOGKBG-AWEZNQCLSA-N 1 3 260.381 2.214 20 10 CECDHO COc1cccc([C@@H](C)NCCC[NH+](C)C)c1O ZINC000846136493 641198123 /nfs/dbraw/zinc/19/81/23/641198123.db2.gz IZKCWCGPCKMVCM-LLVKDONJSA-N 1 3 252.358 2.003 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000846703820 641403645 /nfs/dbraw/zinc/40/36/45/641403645.db2.gz QLINSTAQXHMYMC-ZFWWWQNUSA-N 1 3 261.413 2.373 20 10 CECDHO Cc1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1N(C)C ZINC000923516015 643747327 /nfs/dbraw/zinc/74/73/27/643747327.db2.gz QSRGKQZOVWZWMO-JKSUJKDBSA-N 1 3 273.424 2.102 20 10 CECDHO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000779025979 647283124 /nfs/dbraw/zinc/28/31/24/647283124.db2.gz RTTNGQCBZIXMPC-MRXNPFEDSA-N 1 3 292.423 2.325 20 10 CECDHO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000779025979 647283127 /nfs/dbraw/zinc/28/31/27/647283127.db2.gz RTTNGQCBZIXMPC-MRXNPFEDSA-N 1 3 292.423 2.325 20 10 CECDHO Cc1ccc(C)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001140183311 816205662 /nfs/dbraw/zinc/20/56/62/816205662.db2.gz BMFSKXYKKGOAPV-RHSMWYFYSA-N 1 3 274.408 2.393 20 10 CECDHO C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000090720993 623499937 /nfs/dbraw/zinc/49/99/37/623499937.db2.gz PCOSUZSMJNLATG-UKRRQHHQSA-N 1 3 261.413 2.325 20 10 CECDHO C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000090720993 623499939 /nfs/dbraw/zinc/49/99/39/623499939.db2.gz PCOSUZSMJNLATG-UKRRQHHQSA-N 1 3 261.413 2.325 20 10 CECDHO CN(C)CC(C)(C)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000898309864 632167378 /nfs/dbraw/zinc/16/73/78/632167378.db2.gz PIDJUCZQNPLIMC-UHFFFAOYSA-N 1 3 294.395 2.141 20 10 CECDHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000898309864 632167380 /nfs/dbraw/zinc/16/73/80/632167380.db2.gz PIDJUCZQNPLIMC-UHFFFAOYSA-N 1 3 294.395 2.141 20 10 CECDHO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1F ZINC000841077040 635113925 /nfs/dbraw/zinc/11/39/25/635113925.db2.gz XBRVJCXYOSSZTQ-VXGBXAGGSA-N 1 3 267.392 2.497 20 10 CECDHO COc1ccc(O)c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841085705 637394287 /nfs/dbraw/zinc/39/42/87/637394287.db2.gz BCCSQKGMBLNCIT-CZUORRHYSA-N 1 3 290.407 2.365 20 10 CECDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834620969 637892170 /nfs/dbraw/zinc/89/21/70/637892170.db2.gz ZHVSPVVNXNTYNG-LSDHHAIUSA-N 1 3 292.423 2.326 20 10 CECDHO C[C@@H](C[NH3+])NCc1ccc(OCc2ccccc2)cc1O ZINC000841062730 639638385 /nfs/dbraw/zinc/63/83/85/639638385.db2.gz CAOZAPYLTDMKPP-ZDUSSCGKSA-N 1 3 286.375 2.408 20 10 CECDHO Cc1ccc(O)c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843123844 640291167 /nfs/dbraw/zinc/29/11/67/640291167.db2.gz QIGYUXPLKLUOLV-INIZCTEOSA-N 1 3 260.381 2.276 20 10 CECDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846142289 641199366 /nfs/dbraw/zinc/19/93/66/641199366.db2.gz ZVKIHDFJTONYLT-QWHCGFSZSA-N 1 3 278.396 2.393 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c([O-])c1 ZINC000873222251 649595865 /nfs/dbraw/zinc/59/58/65/649595865.db2.gz ILBGGBBSQUDYBM-LBPRGKRZSA-N 1 3 278.396 2.269 20 10 CECDHO N[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001118018310 814977103 /nfs/dbraw/zinc/97/71/03/814977103.db2.gz FXYMOUKMYMEBKF-MRXNPFEDSA-N 1 3 259.397 2.114 20 10 CECDHO COc1cc(CN2CC[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255600 815996805 /nfs/dbraw/zinc/99/68/05/815996805.db2.gz PLVVKDMVJMSFCV-LBPRGKRZSA-N 1 3 278.396 2.304 20 10 CECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H]3C)cc2)CC1 ZINC001140302478 816227457 /nfs/dbraw/zinc/22/74/57/816227457.db2.gz RWLBULJQRMJROA-HNNXBMFYSA-N 1 3 273.424 2.423 20 10 CECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H]3C)cc2)CC1 ZINC001140302478 816227459 /nfs/dbraw/zinc/22/74/59/816227459.db2.gz RWLBULJQRMJROA-HNNXBMFYSA-N 1 3 273.424 2.423 20 10 CECDHO CN(Cc1ccc2c(c1)OCCN2C)C1CC[NH+](C)CC1 ZINC001141139114 816483303 /nfs/dbraw/zinc/48/33/03/816483303.db2.gz JNADZZAYYGIIFT-UHFFFAOYSA-N 1 3 289.423 2.041 20 10 CECDHO CN(C)c1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271848588 373203409 /nfs/dbraw/zinc/20/34/09/373203409.db2.gz SNJVFHOSGJQARD-UHFFFAOYSA-N 1 3 259.397 2.104 20 10 CECDHO Cc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)c(O)c1C ZINC000273418180 373755591 /nfs/dbraw/zinc/75/55/91/373755591.db2.gz RLJHUVCDEZGGNN-CABCVRRESA-N 1 3 292.423 2.116 20 10 CECDHO c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc2c1OCC2 ZINC000037649483 526428533 /nfs/dbraw/zinc/42/85/33/526428533.db2.gz FUNXFYLJHBBFAL-CQSZACIVSA-N 1 3 272.392 2.195 20 10 CECDHO COc1ccc(O)c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000816642268 633455418 /nfs/dbraw/zinc/45/54/18/633455418.db2.gz VCSDTKHEKXSVFX-QGZVFWFLSA-N 1 3 290.407 2.319 20 10 CECDHO COc1ccc(O)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000816642268 633455421 /nfs/dbraw/zinc/45/54/21/633455421.db2.gz VCSDTKHEKXSVFX-QGZVFWFLSA-N 1 3 290.407 2.319 20 10 CECDHO C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1CCC[NH2+]C1 ZINC000817947501 633793300 /nfs/dbraw/zinc/79/33/00/633793300.db2.gz OTMHCDQAECZQQF-FPMFFAJLSA-N 1 3 260.381 2.357 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000817947113 633793397 /nfs/dbraw/zinc/79/33/97/633793397.db2.gz KOEKPIWTHAUCCX-AGIUHOORSA-N 1 3 278.396 2.440 20 10 CECDHO COc1ccc(O)c([C@@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000817969014 633811249 /nfs/dbraw/zinc/81/12/49/633811249.db2.gz PJNLQUAAIFCMHR-NEPJUHHUSA-N 1 3 264.369 2.194 20 10 CECDHO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c([O-])c1 ZINC000817976433 633820158 /nfs/dbraw/zinc/82/01/58/633820158.db2.gz MAVAAACEGPQWON-DOMZBBRYSA-N 1 3 260.381 2.493 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000817985576 633828461 /nfs/dbraw/zinc/82/84/61/633828461.db2.gz FPCIBZVLIUYVMA-LXTVHRRPSA-N 1 3 272.392 2.357 20 10 CECDHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841029057 639621101 /nfs/dbraw/zinc/62/11/01/639621101.db2.gz FCLNWCCFORSUBK-HUUCEWRRSA-N 1 3 260.381 2.229 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c([O-])c1 ZINC000841028717 639621249 /nfs/dbraw/zinc/62/12/49/639621249.db2.gz CPBBMTKNDOJMBH-SWLSCSKDSA-N 1 3 278.396 2.398 20 10 CECDHO Cc1cc(N(C)C)ccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000841032498 639624110 /nfs/dbraw/zinc/62/41/10/639624110.db2.gz FNTXTUJKJJGTFE-CQSZACIVSA-N 1 3 261.413 2.150 20 10 CECDHO CCOc1ccc(O)c(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000841100811 639666815 /nfs/dbraw/zinc/66/68/15/639666815.db2.gz KPQKJDHVXKXCBT-JSGCOSHPSA-N 1 3 278.396 2.208 20 10 CECDHO COc1cccc([O-])c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843125930 640292517 /nfs/dbraw/zinc/29/25/17/640292517.db2.gz CRRVYEZPXMOCQD-AWEZNQCLSA-N 1 3 290.407 2.222 20 10 CECDHO COc1cccc([O-])c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843127297 640294470 /nfs/dbraw/zinc/29/44/70/640294470.db2.gz DTMUJOPZMKUKNS-UHFFFAOYSA-N 1 3 272.348 2.149 20 10 CECDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183418338 641732727 /nfs/dbraw/zinc/73/27/27/641732727.db2.gz AWOMZALDZQTHDF-GJZGRUSLSA-N 1 3 291.439 2.069 20 10 CECDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183418377 641732789 /nfs/dbraw/zinc/73/27/89/641732789.db2.gz AWOMZALDZQTHDF-LSDHHAIUSA-N 1 3 291.439 2.069 20 10 CECDHO COc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1C ZINC000697874465 806718472 /nfs/dbraw/zinc/71/84/72/806718472.db2.gz YXQPQRGGFXZYFR-ZDUSSCGKSA-N 1 3 250.386 2.433 20 10 CECDHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000183506377 395257898 /nfs/dbraw/zinc/25/78/98/395257898.db2.gz ZCZQCRCPATTXBT-LSDHHAIUSA-N 1 3 292.423 2.280 20 10 CECDHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000183506377 395257900 /nfs/dbraw/zinc/25/79/00/395257900.db2.gz ZCZQCRCPATTXBT-LSDHHAIUSA-N 1 3 292.423 2.280 20 10 CECDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000249384350 334333066 /nfs/dbraw/zinc/33/30/66/334333066.db2.gz XEGHISNCAZAXPC-OLZOCXBDSA-N 1 3 278.396 2.393 20 10 CECDHO C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000090720997 623543482 /nfs/dbraw/zinc/54/34/82/623543482.db2.gz PCOSUZSMJNLATG-HIFRSBDPSA-N 1 3 261.413 2.325 20 10 CECDHO C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000090720997 623543485 /nfs/dbraw/zinc/54/34/85/623543485.db2.gz PCOSUZSMJNLATG-HIFRSBDPSA-N 1 3 261.413 2.325 20 10 CECDHO C[C@H](NCC1([NH3+])CC1)c1cc2c(cc1O)CCCC2 ZINC000902407831 634622111 /nfs/dbraw/zinc/62/21/11/634622111.db2.gz VQJZJHGWOHKFOI-NSHDSACASA-N 1 3 260.381 2.413 20 10 CECDHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925692529 628511139 /nfs/dbraw/zinc/51/11/39/628511139.db2.gz MAPKCRSOUYYAKX-PMPSAXMXSA-N 1 3 273.424 2.178 20 10 CECDHO CC1(C)[C@@H](NCCc2ccc(N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925692529 628511141 /nfs/dbraw/zinc/51/11/41/628511141.db2.gz MAPKCRSOUYYAKX-PMPSAXMXSA-N 1 3 273.424 2.178 20 10 CECDHO COc1cc(C)cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000894911671 629750552 /nfs/dbraw/zinc/75/05/52/629750552.db2.gz JIZAUKSTJCAURF-GOOCMWNKSA-N 1 3 290.407 2.424 20 10 CECDHO COc1cc(C)cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000894911671 629750555 /nfs/dbraw/zinc/75/05/55/629750555.db2.gz JIZAUKSTJCAURF-GOOCMWNKSA-N 1 3 290.407 2.424 20 10 CECDHO Cc1cc(Br)cc([C@H](C)NC[C@@H](C)[NH3+])c1O ZINC000817972963 633815373 /nfs/dbraw/zinc/81/53/73/633815373.db2.gz QOSBBBDICBZVED-BDAKNGLRSA-N 1 3 287.201 2.461 20 10 CECDHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977750 633821097 /nfs/dbraw/zinc/82/10/97/633821097.db2.gz OCIQQWVBASRZCU-AVGNSLFASA-N 1 3 295.402 2.049 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1[O-] ZINC000903973734 635391962 /nfs/dbraw/zinc/39/19/62/635391962.db2.gz FFANZSKSDVXMKL-GHMZBOCLSA-N 1 3 298.814 2.389 20 10 CECDHO CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834764523 637944221 /nfs/dbraw/zinc/94/42/21/637944221.db2.gz FHYVEYWAXDFDNH-OAHLLOKOSA-N 1 3 292.423 2.328 20 10 CECDHO CCOc1cccc(CN[C@H](C[NH3+])CC(C)C)c1O ZINC000841038274 639628881 /nfs/dbraw/zinc/62/88/81/639628881.db2.gz IKTHNPNHKPFZAY-ZDUSSCGKSA-N 1 3 266.385 2.254 20 10 CECDHO Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000841048959 639632187 /nfs/dbraw/zinc/63/21/87/639632187.db2.gz IDMPBVDBLRWYMN-GFCCVEGCSA-N 1 3 299.212 2.290 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1[O-] ZINC000841057297 639635431 /nfs/dbraw/zinc/63/54/31/639635431.db2.gz IWXCDHQJACVKNB-RYUDHWBXSA-N 1 3 284.787 2.414 20 10 CECDHO Oc1ccc(F)cc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088525 639651802 /nfs/dbraw/zinc/65/18/02/639651802.db2.gz YWKVVVPXWFGMFB-DOMZBBRYSA-N 1 3 278.371 2.495 20 10 CECDHO CN(C)c1ccc(CN2CCC(CC[NH3+])CC2)cc1F ZINC000844911852 640864079 /nfs/dbraw/zinc/86/40/79/640864079.db2.gz PQSYRDKFXKDWCT-UHFFFAOYSA-N 1 3 279.403 2.453 20 10 CECDHO C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)c2c1c(F)ccc2[O-] ZINC000774375628 646839915 /nfs/dbraw/zinc/83/99/15/646839915.db2.gz DETWSCQTBCWJOE-AAEUAGOBSA-N 1 3 296.386 2.247 20 10 CECDHO C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC[NH2+]CC1 ZINC000873270474 649619706 /nfs/dbraw/zinc/61/97/06/649619706.db2.gz VBMJQBUSPJRNRN-RISCZKNCSA-N 1 3 260.381 2.357 20 10 CECDHO CN1CCCc2cc(CN3CC[C@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206163353 815348736 /nfs/dbraw/zinc/34/87/36/815348736.db2.gz BUPFADBAAHPETF-HOTGVXAUSA-N 1 3 291.414 2.330 20 10 CECDHO COc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206292759 816518768 /nfs/dbraw/zinc/51/87/68/816518768.db2.gz DMRKDFMXUTVMLT-INIZCTEOSA-N 1 3 278.396 2.352 20 10 CECDHO COc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206292759 816518774 /nfs/dbraw/zinc/51/87/74/816518774.db2.gz DMRKDFMXUTVMLT-INIZCTEOSA-N 1 3 278.396 2.352 20 10 CECDHO Oc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371463717 373890895 /nfs/dbraw/zinc/89/08/95/373890895.db2.gz KOTGZCZHAUGPED-OWCLPIDISA-N 1 3 272.392 2.308 20 10 CECDHO Oc1ccccc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371463717 373890902 /nfs/dbraw/zinc/89/09/02/373890902.db2.gz KOTGZCZHAUGPED-OWCLPIDISA-N 1 3 272.392 2.308 20 10 CECDHO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1[O-] ZINC000183408864 395256448 /nfs/dbraw/zinc/25/64/48/395256448.db2.gz DLYZAMKLQQDBMH-CQSZACIVSA-N 1 3 291.439 2.069 20 10 CECDHO CCOc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1O ZINC000037649323 521364367 /nfs/dbraw/zinc/36/43/67/521364367.db2.gz OCMRKSZEMBIPKD-ZDUSSCGKSA-N 1 3 290.407 2.365 20 10 CECDHO [O-]c1ccc(F)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278607546 526349303 /nfs/dbraw/zinc/34/93/03/526349303.db2.gz GGZSNHNPQWKCDD-UHFFFAOYSA-N 1 3 278.371 2.495 20 10 CECDHO [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000300417083 622876828 /nfs/dbraw/zinc/87/68/28/622876828.db2.gz KHRRLUPFSIWSQB-LERXQTSPSA-N 1 3 264.344 2.091 20 10 CECDHO [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000300417083 622876830 /nfs/dbraw/zinc/87/68/30/622876830.db2.gz KHRRLUPFSIWSQB-LERXQTSPSA-N 1 3 264.344 2.091 20 10 CECDHO CCOc1ccc(O)c(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000841058823 632361715 /nfs/dbraw/zinc/36/17/15/632361715.db2.gz VUCYTCKQFDYZRH-CYBMUJFWSA-N 1 3 264.369 2.023 20 10 CECDHO C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1CCC[NH2+]C1 ZINC000817947503 633793859 /nfs/dbraw/zinc/79/38/59/633793859.db2.gz OTMHCDQAECZQQF-UBHSHLNASA-N 1 3 260.381 2.357 20 10 CECDHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946162 633794031 /nfs/dbraw/zinc/79/40/31/633794031.db2.gz SRKYJKAKMOZYEQ-UONOGXRCSA-N 1 3 261.413 2.403 20 10 CECDHO C[N@H+](CCCC[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000835062351 638045175 /nfs/dbraw/zinc/04/51/75/638045175.db2.gz BJPXPUXCCMGTQB-UHFFFAOYSA-N 1 3 266.360 2.495 20 10 CECDHO C[N@@H+](CCCC[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000835062351 638045180 /nfs/dbraw/zinc/04/51/80/638045180.db2.gz BJPXPUXCCMGTQB-UHFFFAOYSA-N 1 3 266.360 2.495 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c([O-])c1 ZINC000841033070 639625053 /nfs/dbraw/zinc/62/50/53/639625053.db2.gz KABMCBQLZKZCAK-QWHCGFSZSA-N 1 3 278.396 2.269 20 10 CECDHO Cc1cc(Br)cc(C[NH2+][C@H](C)CC[NH3+])c1[O-] ZINC000841052253 639633534 /nfs/dbraw/zinc/63/35/34/639633534.db2.gz SLAFRNVHRFFTBU-SECBINFHSA-N 1 3 287.201 2.290 20 10 CECDHO Cc1ccc(O)c(CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000843043751 640249528 /nfs/dbraw/zinc/24/95/28/640249528.db2.gz GBJUZZNRDSHRCS-UHFFFAOYSA-N 1 3 260.381 2.417 20 10 CECDHO CCOc1ccc(O)c(CN(C)CC(C)(C)C[NH3+])c1 ZINC000843056708 640258700 /nfs/dbraw/zinc/25/87/00/640258700.db2.gz XIAQNJIERGECFQ-UHFFFAOYSA-N 1 3 266.385 2.208 20 10 CECDHO Cc1cc(N(C)C)ccc1CN(C)CC(C)(C)C[NH3+] ZINC000843056605 640258715 /nfs/dbraw/zinc/25/87/15/640258715.db2.gz SBPLGCSYOFHOIJ-UHFFFAOYSA-N 1 3 263.429 2.478 20 10 CECDHO Cc1cc(N(C)C)ccc1C[NH2+]CC1(N)CCCC1 ZINC000849349999 642340251 /nfs/dbraw/zinc/34/02/51/642340251.db2.gz MWDYBPBHTMRGCE-UHFFFAOYSA-N 1 3 261.413 2.422 20 10 CECDHO C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)N(C)C ZINC000922255630 642985813 /nfs/dbraw/zinc/98/58/13/642985813.db2.gz VKRRESOBHMUEPV-ZDUSSCGKSA-N 1 3 262.397 2.441 20 10 CECDHO [NH3+]C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843048732 644745571 /nfs/dbraw/zinc/74/55/71/644745571.db2.gz UXGDILBKKWZJIP-MRXNPFEDSA-N 1 3 273.424 2.458 20 10 CECDHO CCN1CCN(c2ccc(C[NH+]3CCC3)cc2)CC1 ZINC001140300394 816227548 /nfs/dbraw/zinc/22/75/48/816227548.db2.gz OAKTYFIALIJSQX-UHFFFAOYSA-N 1 3 259.397 2.034 20 10 CECDHO CCC[N@H+]1C[C@H]2CN(Cc3cc(C)ccc3O)C[C@H]2C1 ZINC001140623201 816305919 /nfs/dbraw/zinc/30/59/19/816305919.db2.gz KMESMNKLCOTSNI-IYBDPMFKSA-N 1 3 274.408 2.474 20 10 CECDHO CCC[N@@H+]1C[C@H]2CN(Cc3cc(C)ccc3O)C[C@H]2C1 ZINC001140623201 816305927 /nfs/dbraw/zinc/30/59/27/816305927.db2.gz KMESMNKLCOTSNI-IYBDPMFKSA-N 1 3 274.408 2.474 20 10 CECDHO CN(C)c1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408222 522209356 /nfs/dbraw/zinc/20/93/56/522209356.db2.gz SLPSOCJEXKAUMG-HNNXBMFYSA-N 1 3 273.424 2.327 20 10 CECDHO CN(C)c1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408222 522209367 /nfs/dbraw/zinc/20/93/67/522209367.db2.gz SLPSOCJEXKAUMG-HNNXBMFYSA-N 1 3 273.424 2.327 20 10 CECDHO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037408222 522209375 /nfs/dbraw/zinc/20/93/75/522209375.db2.gz SLPSOCJEXKAUMG-HNNXBMFYSA-N 1 3 273.424 2.327 20 10 CECDHO CCCC[C@@H](C[NH3+])NCc1cccc(OCC)c1O ZINC000841029773 631813801 /nfs/dbraw/zinc/81/38/01/631813801.db2.gz RXTAJJBQILUQEU-ZDUSSCGKSA-N 1 3 266.385 2.398 20 10 CECDHO CCO[C@@H](CN[C@@H](C)c1cc(C)ccc1O)C[NH+](C)C ZINC000926962642 632390234 /nfs/dbraw/zinc/39/02/34/632390234.db2.gz RKLABNPWMXQYBD-KBPBESRZSA-N 1 3 280.412 2.318 20 10 CECDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887739 633751758 /nfs/dbraw/zinc/75/17/58/633751758.db2.gz DIRASLLKDDEQEU-JKSUJKDBSA-N 1 3 291.464 2.209 20 10 CECDHO CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@@H]3N)ccc21 ZINC000817901449 633763094 /nfs/dbraw/zinc/76/30/94/633763094.db2.gz VSRUNXDXCWLXGT-LSDHHAIUSA-N 1 3 259.397 2.038 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000817970849 633812994 /nfs/dbraw/zinc/81/29/94/633812994.db2.gz GFJAMLSQVWPGJY-UHIISALHSA-N 1 3 264.369 2.049 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970770 633813227 /nfs/dbraw/zinc/81/32/27/633813227.db2.gz DWGUFMMGPJRVTO-GRYCIOLGSA-N 1 3 264.369 2.192 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000817977003 633820307 /nfs/dbraw/zinc/82/03/07/633820307.db2.gz YXYNFEIIYAKSID-TZMCWYRMSA-N 1 3 258.365 2.111 20 10 CECDHO COc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1C ZINC000903954834 635389249 /nfs/dbraw/zinc/38/92/49/635389249.db2.gz GWGGSZGYBVUNRI-ZDUSSCGKSA-N 1 3 284.350 2.338 20 10 CECDHO CCCC[C@@H](C[NH3+])NCc1cccc(OC)c1O ZINC000841028330 639621050 /nfs/dbraw/zinc/62/10/50/639621050.db2.gz BEKBTBWBRYTSBB-LBPRGKRZSA-N 1 3 252.358 2.008 20 10 CECDHO CCCC[C@H](C[NH3+])NCc1cc(OC)ccc1O ZINC000841030822 639622684 /nfs/dbraw/zinc/62/26/84/639622684.db2.gz ZVKPSUZCBLHHRQ-GFCCVEGCSA-N 1 3 252.358 2.008 20 10 CECDHO COC[C@H](CC(C)C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045917 639630734 /nfs/dbraw/zinc/63/07/34/639630734.db2.gz SQQATQOLHWBISW-DOTOQJQBSA-N 1 3 293.455 2.403 20 10 CECDHO COc1ccc(O)c(CN[C@H](C[NH3+])C2CCCC2)c1 ZINC000841087070 639651915 /nfs/dbraw/zinc/65/19/15/639651915.db2.gz MKBKNPLCTSHYMV-CQSZACIVSA-N 1 3 264.369 2.008 20 10 CECDHO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000841100091 639663239 /nfs/dbraw/zinc/66/32/39/639663239.db2.gz UKZHDDCFTGYOLX-DOTOQJQBSA-N 1 3 290.407 2.111 20 10 CECDHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191473 639837633 /nfs/dbraw/zinc/83/76/33/639837633.db2.gz SRSSVXUOTVFAAC-CZUORRHYSA-N 1 3 261.413 2.454 20 10 CECDHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191473 639837639 /nfs/dbraw/zinc/83/76/39/639837639.db2.gz SRSSVXUOTVFAAC-CZUORRHYSA-N 1 3 261.413 2.454 20 10 CECDHO Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000877041944 650544111 /nfs/dbraw/zinc/54/41/11/650544111.db2.gz PLIGVHCAFHTXRT-MRXNPFEDSA-N 1 3 292.423 2.027 20 10 CECDHO Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000877041944 650544114 /nfs/dbraw/zinc/54/41/14/650544114.db2.gz PLIGVHCAFHTXRT-MRXNPFEDSA-N 1 3 292.423 2.027 20 10 CECDHO C[C@H](CN)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051472 640255267 /nfs/dbraw/zinc/25/52/67/640255267.db2.gz JBGAYRSSMIOGGC-CQSZACIVSA-N 1 3 261.413 2.456 20 10 CECDHO C[C@H](CN)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051472 640255271 /nfs/dbraw/zinc/25/52/71/640255271.db2.gz JBGAYRSSMIOGGC-CQSZACIVSA-N 1 3 261.413 2.456 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CCC(C)([NH3+])CC1 ZINC000843107553 640283371 /nfs/dbraw/zinc/28/33/71/640283371.db2.gz OVJXDTOGUGDPBI-UHFFFAOYSA-N 1 3 261.413 2.374 20 10 CECDHO [O-]c1ccc(F)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120158 640289091 /nfs/dbraw/zinc/28/90/91/640289091.db2.gz DZACGQKWRGSZTQ-UHFFFAOYSA-N 1 3 264.344 2.107 20 10 CECDHO [O-]c1ccc(F)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120158 640289094 /nfs/dbraw/zinc/28/90/94/640289094.db2.gz DZACGQKWRGSZTQ-UHFFFAOYSA-N 1 3 264.344 2.107 20 10 CECDHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000070171806 641641203 /nfs/dbraw/zinc/64/12/03/641641203.db2.gz KMYLCFWXEKEZOZ-UKRRQHHQSA-N 1 3 261.413 2.312 20 10 CECDHO Cc1cccc([O-])c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000877623599 650818352 /nfs/dbraw/zinc/81/83/52/650818352.db2.gz UVOIOXOXPPZLOC-HNNXBMFYSA-N 1 3 293.455 2.062 20 10 CECDHO COc1cccc(O)c1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872251173 649328738 /nfs/dbraw/zinc/32/87/38/649328738.db2.gz HDPHWYXCYNCAFK-LBPRGKRZSA-N 1 3 278.396 2.269 20 10 CECDHO COc1cccc([O-])c1C[N@H+](C)CCCCCC[NH3+] ZINC000873231259 649602609 /nfs/dbraw/zinc/60/26/09/649602609.db2.gz BGLKWANZKFAFJU-UHFFFAOYSA-N 1 3 266.385 2.352 20 10 CECDHO COc1cccc([O-])c1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231259 649602612 /nfs/dbraw/zinc/60/26/12/649602612.db2.gz BGLKWANZKFAFJU-UHFFFAOYSA-N 1 3 266.385 2.352 20 10 CECDHO C[NH+]1CCC(NCc2ccc(N3CCCC3)cc2)CC1 ZINC000037256081 815124684 /nfs/dbraw/zinc/12/46/84/815124684.db2.gz SSDUPVCPJNKYQU-UHFFFAOYSA-N 1 3 273.424 2.471 20 10 CECDHO C[NH+](C)C1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC000715534328 808759979 /nfs/dbraw/zinc/75/99/79/808759979.db2.gz RICFSDQMTYFTKD-UHFFFAOYSA-N 1 3 264.369 2.060 20 10 CECDHO COc1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000156094678 525950527 /nfs/dbraw/zinc/95/05/27/525950527.db2.gz ZRYRIZJAVFJRRV-HIFRSBDPSA-N 1 3 290.407 2.317 20 10 CECDHO COc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000156094678 525950529 /nfs/dbraw/zinc/95/05/29/525950529.db2.gz ZRYRIZJAVFJRRV-HIFRSBDPSA-N 1 3 290.407 2.317 20 10 CECDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N)CC2)c1O ZINC000902408650 634623220 /nfs/dbraw/zinc/62/32/20/634623220.db2.gz ZZOXTDDBJPAWFC-VIFPVBQESA-N 1 3 254.761 2.496 20 10 CECDHO [NH3+]Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000258899039 628782555 /nfs/dbraw/zinc/78/25/55/628782555.db2.gz DFOJFFNKSYQKQD-UHFFFAOYSA-N 1 3 268.360 2.370 20 10 CECDHO COc1cc(C)cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000893953331 629063357 /nfs/dbraw/zinc/06/33/57/629063357.db2.gz RXWIWZVNVWEHFD-CQSZACIVSA-N 1 3 292.423 2.483 20 10 CECDHO COc1cc(C)cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000893953331 629063360 /nfs/dbraw/zinc/06/33/60/629063360.db2.gz RXWIWZVNVWEHFD-CQSZACIVSA-N 1 3 292.423 2.483 20 10 CECDHO Cc1cc(Br)cc(C[NH2+]C[C@@H](C)C[NH3+])c1[O-] ZINC000841048487 632351894 /nfs/dbraw/zinc/35/18/94/632351894.db2.gz JFYVOBJXHZJDCJ-QMMMGPOBSA-N 1 3 287.201 2.148 20 10 CECDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887737 633751352 /nfs/dbraw/zinc/75/13/52/633751352.db2.gz DIRASLLKDDEQEU-HOTGVXAUSA-N 1 3 291.464 2.209 20 10 CECDHO [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000817977000 633820783 /nfs/dbraw/zinc/82/07/83/633820783.db2.gz YXYNFEIIYAKSID-GXTWGEPZSA-N 1 3 258.365 2.111 20 10 CECDHO COc1cccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1O ZINC000841089267 637707878 /nfs/dbraw/zinc/70/78/78/637707878.db2.gz KLTMLKYGXCUXSU-CYBMUJFWSA-N 1 3 276.380 2.165 20 10 CECDHO C[NH2+]CCCNCc1cc(Br)cc(C)c1O ZINC000841041119 639629717 /nfs/dbraw/zinc/62/97/17/639629717.db2.gz DRJVHRNAZCYFPR-UHFFFAOYSA-N 1 3 287.201 2.162 20 10 CECDHO [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000841103869 639674381 /nfs/dbraw/zinc/67/43/81/639674381.db2.gz LMWPGFOOTLPAJI-DOTOQJQBSA-N 1 3 290.407 2.111 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843052482 640256092 /nfs/dbraw/zinc/25/60/92/640256092.db2.gz UPLZZGXAVSBEBT-BBRMVZONSA-N 1 3 261.413 2.230 20 10 CECDHO CCOc1ccc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)c(O)c1 ZINC000843053875 640256772 /nfs/dbraw/zinc/25/67/72/640256772.db2.gz VRRZMOWPNWPWHX-SWLSCSKDSA-N 1 3 278.396 2.350 20 10 CECDHO C[NH2+]CCC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000843057157 640260140 /nfs/dbraw/zinc/26/01/40/640260140.db2.gz FQFOHNZXUFGBJT-UHFFFAOYSA-N 1 3 278.396 2.222 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c([O-])c1 ZINC000843129870 640296403 /nfs/dbraw/zinc/29/64/03/640296403.db2.gz SHIIGFHECYENIL-MNOVXSKESA-N 1 3 252.358 2.006 20 10 CECDHO Cc1cc(CN[C@@](C)(C[NH3+])C2CC2)ccc1N(C)C ZINC000923296695 643648514 /nfs/dbraw/zinc/64/85/14/643648514.db2.gz VUMWMGFAVJDGQM-INIZCTEOSA-N 1 3 261.413 2.278 20 10 CECDHO COc1cc(O)c(CN(C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000843056759 644767087 /nfs/dbraw/zinc/76/70/87/644767087.db2.gz ZIDVFBBBPFKHMW-CYBMUJFWSA-N 1 3 296.411 2.215 20 10 CECDHO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1[O-] ZINC000783504299 647722445 /nfs/dbraw/zinc/72/24/45/647722445.db2.gz WYTKYOKTKQKTJY-OAHLLOKOSA-N 1 3 291.439 2.070 20 10 CECDHO CN(C)c1ccc(C[N@@H+]2CCCCC[C@@H](N)C2)cc1 ZINC000709030707 809941142 /nfs/dbraw/zinc/94/11/42/809941142.db2.gz HHOSRDUJRRCSNS-OAHLLOKOSA-N 1 3 261.413 2.456 20 10 CECDHO CN(C)c1ccc(C[N@H+]2CCCCC[C@@H](N)C2)cc1 ZINC000709030707 809941144 /nfs/dbraw/zinc/94/11/44/809941144.db2.gz HHOSRDUJRRCSNS-OAHLLOKOSA-N 1 3 261.413 2.456 20 10 CECDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183548620 261979337 /nfs/dbraw/zinc/97/93/37/261979337.db2.gz PHUWVXPGMQQKDJ-ZIAGYGMSSA-N 1 3 280.412 2.400 20 10 CECDHO CC[N@H+](CCCN(C)C)Cc1ccc(OC)c(OC)c1O ZINC000894472016 629480520 /nfs/dbraw/zinc/48/05/20/629480520.db2.gz QAYSRQDIHHFVCO-UHFFFAOYSA-N 1 3 296.411 2.183 20 10 CECDHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC)c(OC)c1O ZINC000894472016 629480525 /nfs/dbraw/zinc/48/05/25/629480525.db2.gz QAYSRQDIHHFVCO-UHFFFAOYSA-N 1 3 296.411 2.183 20 10 CECDHO [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000904333754 635577717 /nfs/dbraw/zinc/57/77/17/635577717.db2.gz FMROHGRFYCBPMA-VNQPRFMTSA-N 1 3 290.407 2.111 20 10 CECDHO [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000904333754 635577721 /nfs/dbraw/zinc/57/77/21/635577721.db2.gz FMROHGRFYCBPMA-VNQPRFMTSA-N 1 3 290.407 2.111 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970773 633812806 /nfs/dbraw/zinc/81/28/06/633812806.db2.gz DWGUFMMGPJRVTO-WOPDTQHZSA-N 1 3 264.369 2.192 20 10 CECDHO Cc1cccc([O-])c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000876576061 650340234 /nfs/dbraw/zinc/34/02/34/650340234.db2.gz DISCVAAEBXJJIS-UHFFFAOYSA-N 1 3 262.397 2.474 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000841078142 639646824 /nfs/dbraw/zinc/64/68/24/639646824.db2.gz DSLZRRLCNGHWTK-CYBMUJFWSA-N 1 3 296.798 2.286 20 10 CECDHO COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841080233 639648814 /nfs/dbraw/zinc/64/88/14/639648814.db2.gz QWSZEQGXLLSHFY-JOCQHMNTSA-N 1 3 278.396 2.256 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1[O-] ZINC000841083245 639649605 /nfs/dbraw/zinc/64/96/05/639649605.db2.gz ABBGIZPKCOAIOV-JOYOIKCWSA-N 1 3 284.787 2.271 20 10 CECDHO CC(C)N(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851951562 643239950 /nfs/dbraw/zinc/23/99/50/643239950.db2.gz YUDZSYZVWRDYOU-RHSMWYFYSA-N 1 3 293.455 2.104 20 10 CECDHO CC(C)N(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851951564 643240416 /nfs/dbraw/zinc/24/04/16/643240416.db2.gz YUDZSYZVWRDYOU-YOEHRIQHSA-N 1 3 293.455 2.104 20 10 CECDHO C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2c1c(F)ccc2[O-] ZINC000863547158 646753813 /nfs/dbraw/zinc/75/38/13/646753813.db2.gz PRLHORZQYNOWBB-JQWIXIFHSA-N 1 3 282.359 2.035 20 10 CECDHO CN1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725576 649470226 /nfs/dbraw/zinc/47/02/26/649470226.db2.gz UOQUZFBPQWCJPC-WBVHZDCISA-N 1 3 286.419 2.407 20 10 CECDHO CN1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725576 649470230 /nfs/dbraw/zinc/47/02/30/649470230.db2.gz UOQUZFBPQWCJPC-WBVHZDCISA-N 1 3 286.419 2.407 20 10 CECDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CNCCCO1 ZINC001118122139 814986464 /nfs/dbraw/zinc/98/64/64/814986464.db2.gz PUSYVMWWCQJUSB-MCIONIFRSA-N 1 3 290.407 2.217 20 10 CECDHO CCC[N@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139252930 815996651 /nfs/dbraw/zinc/99/66/51/815996651.db2.gz FWANLHTYPIUPRP-UHFFFAOYSA-N 1 3 266.385 2.304 20 10 CECDHO CCC[N@@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139252930 815996652 /nfs/dbraw/zinc/99/66/52/815996652.db2.gz FWANLHTYPIUPRP-UHFFFAOYSA-N 1 3 266.385 2.304 20 10 CECDHO Cc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)c(O)c1 ZINC001140958331 816426234 /nfs/dbraw/zinc/42/62/34/816426234.db2.gz YBFKVRLGNXDMDO-UHFFFAOYSA-N 1 3 260.381 2.228 20 10 CECDHO CN1CCCc2cc(C[NH2+][C@@H]3CCC[C@H]3N)ccc21 ZINC000817901448 633762227 /nfs/dbraw/zinc/76/22/27/633762227.db2.gz VSRUNXDXCWLXGT-HUUCEWRRSA-N 1 3 259.397 2.038 20 10 CECDHO CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1[O-] ZINC000817974451 633818591 /nfs/dbraw/zinc/81/85/91/633818591.db2.gz MELCRDMYMBATBL-HNNXBMFYSA-N 1 3 292.423 2.449 20 10 CECDHO CN(C)c1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535799 639321942 /nfs/dbraw/zinc/32/19/42/639321942.db2.gz SKVOFSQEJFTLLW-OAHLLOKOSA-N 1 3 261.413 2.184 20 10 CECDHO CN(C)c1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535799 639321945 /nfs/dbraw/zinc/32/19/45/639321945.db2.gz SKVOFSQEJFTLLW-OAHLLOKOSA-N 1 3 261.413 2.184 20 10 CECDHO CCOc1ccc(O)c(CNC[C@]2(C)CCC[NH2+]C2)c1 ZINC000841058629 639635771 /nfs/dbraw/zinc/63/57/71/639635771.db2.gz ZHUXSTCJTSKLOH-MRXNPFEDSA-N 1 3 278.396 2.270 20 10 CECDHO C[NH2+]C[C@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000843052148 640255212 /nfs/dbraw/zinc/25/52/12/640255212.db2.gz HPQDHLSBQXRVHH-CQSZACIVSA-N 1 3 261.413 2.102 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843052488 640256111 /nfs/dbraw/zinc/25/61/11/640256111.db2.gz UPLZZGXAVSBEBT-XJKSGUPXSA-N 1 3 261.413 2.230 20 10 CECDHO CC[NH2+]CC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000843056131 640258667 /nfs/dbraw/zinc/25/86/67/640258667.db2.gz UHIAQRFFSBBXJY-UHFFFAOYSA-N 1 3 278.396 2.222 20 10 CECDHO CCOc1ccc(O)c(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000843122382 640291067 /nfs/dbraw/zinc/29/10/67/640291067.db2.gz BVNBLXMASIMKOM-CQSZACIVSA-N 1 3 278.396 2.494 20 10 CECDHO [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125600 640292415 /nfs/dbraw/zinc/29/24/15/640292415.db2.gz YMDTWIUXFBFCSA-STQMWFEESA-N 1 3 278.371 2.353 20 10 CECDHO [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125600 640292416 /nfs/dbraw/zinc/29/24/16/640292416.db2.gz YMDTWIUXFBFCSA-STQMWFEESA-N 1 3 278.371 2.353 20 10 CECDHO CCOc1ccc(C[NH2+]CCCCCC[NH3+])c([O-])c1 ZINC000843126162 640293381 /nfs/dbraw/zinc/29/33/81/640293381.db2.gz BHRBSKPIEKETDO-UHFFFAOYSA-N 1 3 266.385 2.400 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000844924383 640867389 /nfs/dbraw/zinc/86/73/89/640867389.db2.gz KYXXIWKVFGOSDC-CQSZACIVSA-N 1 3 260.381 2.359 20 10 CECDHO COc1cccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)c1O ZINC000872253011 649329944 /nfs/dbraw/zinc/32/99/44/649329944.db2.gz YHOWWHNGLLJLPI-ZDUSSCGKSA-N 1 3 278.396 2.269 20 10 CECDHO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1[O-] ZINC000723698484 802925550 /nfs/dbraw/zinc/92/55/50/802925550.db2.gz HHQAPVZGYUSNLS-SNVBAGLBSA-N 1 3 284.787 2.225 20 10 CECDHO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1[O-] ZINC000723698484 802925553 /nfs/dbraw/zinc/92/55/53/802925553.db2.gz HHQAPVZGYUSNLS-SNVBAGLBSA-N 1 3 284.787 2.225 20 10 CECDHO CCOc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1[O-] ZINC000091844413 803388073 /nfs/dbraw/zinc/38/80/73/803388073.db2.gz VYWIOLPXRIFGHN-UHFFFAOYSA-N 1 3 278.396 2.493 20 10 CECDHO CCOc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1[O-] ZINC000091844413 803388080 /nfs/dbraw/zinc/38/80/80/803388080.db2.gz VYWIOLPXRIFGHN-UHFFFAOYSA-N 1 3 278.396 2.493 20 10 CECDHO Cc1cc(Br)cc(C[NH2+]CCCC[NH3+])c1[O-] ZINC001118018695 814976799 /nfs/dbraw/zinc/97/67/99/814976799.db2.gz ICAGPFNUZMOXSY-UHFFFAOYSA-N 1 3 287.201 2.292 20 10 CECDHO C[NH+](C)C1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000715551713 814978949 /nfs/dbraw/zinc/97/89/49/814978949.db2.gz IXUQHPLQZKEACP-UHFFFAOYSA-N 1 3 266.360 2.494 20 10 CECDHO CCN1C[C@@H]2C[NH+](Cc3ccc(N(C)C)c(C)c3)C[C@H]2C1 ZINC001139674118 816078272 /nfs/dbraw/zinc/07/82/72/816078272.db2.gz OHIXYTLCZAFAHH-IAGOWNOFSA-N 1 3 287.451 2.445 20 10 CECDHO CCOc1cccc(C[N@@H+]2CCCC[C@](F)(CN)C2)c1O ZINC001206337962 816774927 /nfs/dbraw/zinc/77/49/27/816774927.db2.gz XHZBENQCAXNUGW-INIZCTEOSA-N 1 3 296.386 2.444 20 10 CECDHO CCOc1cccc(C[N@H+]2CCCC[C@](F)(CN)C2)c1O ZINC001206337962 816774931 /nfs/dbraw/zinc/77/49/31/816774931.db2.gz XHZBENQCAXNUGW-INIZCTEOSA-N 1 3 296.386 2.444 20 10 CECDHO Cc1ccc(O)c(CN2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206351656 816805122 /nfs/dbraw/zinc/80/51/22/816805122.db2.gz HKHXULCKZCTCCJ-OAHLLOKOSA-N 1 3 266.360 2.354 20 10 CECDHO COc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000156094553 366826987 /nfs/dbraw/zinc/82/69/87/366826987.db2.gz ZRYRIZJAVFJRRV-ZFWWWQNUSA-N 1 3 290.407 2.317 20 10 CECDHO COc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000156094553 366826995 /nfs/dbraw/zinc/82/69/95/366826995.db2.gz ZRYRIZJAVFJRRV-ZFWWWQNUSA-N 1 3 290.407 2.317 20 10 CECDHO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)ccc1[O-] ZINC000273474359 373760450 /nfs/dbraw/zinc/76/04/50/373760450.db2.gz KLXITYVCECVMRE-LLVKDONJSA-N 1 3 264.344 2.444 20 10 CECDHO C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)ccc1[O-] ZINC000273474359 373760454 /nfs/dbraw/zinc/76/04/54/373760454.db2.gz KLXITYVCECVMRE-LLVKDONJSA-N 1 3 264.344 2.444 20 10 CECDHO COc1ccc(O)c(CNC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000062077262 524753131 /nfs/dbraw/zinc/75/31/31/524753131.db2.gz FUNWYIXMRDVXGT-CYBMUJFWSA-N 1 3 278.396 2.222 20 10 CECDHO [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000300417084 622876978 /nfs/dbraw/zinc/87/69/78/622876978.db2.gz KHRRLUPFSIWSQB-ZLKJLUDKSA-N 1 3 264.344 2.091 20 10 CECDHO [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000300417084 622876984 /nfs/dbraw/zinc/87/69/84/622876984.db2.gz KHRRLUPFSIWSQB-ZLKJLUDKSA-N 1 3 264.344 2.091 20 10 CECDHO COc1cc(C)cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c1O ZINC000893953330 629063636 /nfs/dbraw/zinc/06/36/36/629063636.db2.gz RXWIWZVNVWEHFD-AWEZNQCLSA-N 1 3 292.423 2.483 20 10 CECDHO COc1cc(C)cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000893953330 629063637 /nfs/dbraw/zinc/06/36/37/629063637.db2.gz RXWIWZVNVWEHFD-AWEZNQCLSA-N 1 3 292.423 2.483 20 10 CECDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000817901703 633762472 /nfs/dbraw/zinc/76/24/72/633762472.db2.gz XBUSXGJDFGHRBE-STQMWFEESA-N 1 3 261.413 2.284 20 10 CECDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000817901700 633762770 /nfs/dbraw/zinc/76/27/70/633762770.db2.gz XBUSXGJDFGHRBE-CHWSQXEVSA-N 1 3 261.413 2.284 20 10 CECDHO C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817963439 633804648 /nfs/dbraw/zinc/80/46/48/633804648.db2.gz UXOKONIUMDJKLR-FXPVBKGRSA-N 1 3 252.333 2.264 20 10 CECDHO COc1ccc(O)c([C@H](C)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000817966867 633810353 /nfs/dbraw/zinc/81/03/53/633810353.db2.gz XFKMNWZYEBMCJH-BLLLJJGKSA-N 1 3 278.396 2.441 20 10 CECDHO COc1cccc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000903960093 635369274 /nfs/dbraw/zinc/36/92/74/635369274.db2.gz WWFHJNQWXZLENW-KRWDZBQOSA-N 1 3 290.407 2.366 20 10 CECDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000841058312 639635601 /nfs/dbraw/zinc/63/56/01/639635601.db2.gz PITOJKMTNLKPRD-OAHLLOKOSA-N 1 3 261.413 2.293 20 10 CECDHO CCOc1ccc(O)c(CN[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000841073480 639643625 /nfs/dbraw/zinc/64/36/25/639643625.db2.gz VCVLENMQHUAACL-HNNXBMFYSA-N 1 3 278.396 2.269 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CCC[C@H](C[NH3+])C1 ZINC000843047099 640250810 /nfs/dbraw/zinc/25/08/10/640250810.db2.gz NZJAGEWSGFJNDN-CQSZACIVSA-N 1 3 261.413 2.232 20 10 CECDHO CCOc1ccc(O)c(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843051478 640255288 /nfs/dbraw/zinc/25/52/88/640255288.db2.gz JEGYIHUOXRWQDR-STQMWFEESA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(O)c(CN2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000843053624 640255889 /nfs/dbraw/zinc/25/58/89/640255889.db2.gz OXNQUOXCSBFAHT-WFASDCNBSA-N 1 3 278.396 2.350 20 10 CECDHO C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000253202412 641620574 /nfs/dbraw/zinc/62/05/74/641620574.db2.gz YVVYBSYCBBGLND-UKRRQHHQSA-N 1 3 261.413 2.169 20 10 CECDHO CCOc1cccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171603 641641376 /nfs/dbraw/zinc/64/13/76/641641376.db2.gz PNSSTLQJRWWKIR-OLZOCXBDSA-N 1 3 278.396 2.350 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1[O-] ZINC000848923792 642195634 /nfs/dbraw/zinc/19/56/34/642195634.db2.gz PVUWEYYYSNBWHR-GSJFWJNXSA-N 1 3 298.814 2.484 20 10 CECDHO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CN(C)C ZINC000922140915 642902407 /nfs/dbraw/zinc/90/24/07/642902407.db2.gz UQHYZZDDHBDVEG-CYBMUJFWSA-N 1 3 262.397 2.299 20 10 CECDHO CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745669 643530511 /nfs/dbraw/zinc/53/05/11/643530511.db2.gz ZNTFGXNVLDPJES-HNNXBMFYSA-N 1 3 290.407 2.125 20 10 CECDHO CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745669 643530518 /nfs/dbraw/zinc/53/05/18/643530518.db2.gz ZNTFGXNVLDPJES-HNNXBMFYSA-N 1 3 290.407 2.125 20 10 CECDHO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1[O-] ZINC000873293115 649629951 /nfs/dbraw/zinc/62/99/51/649629951.db2.gz XZHPTTMJNWCRHS-ZIAGYGMSSA-N 1 3 290.407 2.202 20 10 CECDHO [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000311233215 803669451 /nfs/dbraw/zinc/66/94/51/803669451.db2.gz RVTLJUAHQLTIQJ-LLVKDONJSA-N 1 3 252.333 2.092 20 10 CECDHO [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000311233215 803669452 /nfs/dbraw/zinc/66/94/52/803669452.db2.gz RVTLJUAHQLTIQJ-LLVKDONJSA-N 1 3 252.333 2.092 20 10 CECDHO CCc1cccc(C[NH2+]C[C@@H]2CCN(CC)C2)c1O ZINC000691522264 812000064 /nfs/dbraw/zinc/00/00/64/812000064.db2.gz KQIINOPJPQNQIO-ZDUSSCGKSA-N 1 3 262.397 2.386 20 10 CECDHO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1[O-] ZINC000183408846 395256298 /nfs/dbraw/zinc/25/62/98/395256298.db2.gz DLYZAMKLQQDBMH-AWEZNQCLSA-N 1 3 291.439 2.069 20 10 CECDHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000183506390 395257853 /nfs/dbraw/zinc/25/78/53/395257853.db2.gz ZCZQCRCPATTXBT-HUUCEWRRSA-N 1 3 292.423 2.280 20 10 CECDHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1[O-] ZINC000183506390 395257857 /nfs/dbraw/zinc/25/78/57/395257857.db2.gz ZCZQCRCPATTXBT-HUUCEWRRSA-N 1 3 292.423 2.280 20 10 CECDHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCN3C)CC[N@@H+]1C ZINC000157680586 524927882 /nfs/dbraw/zinc/92/78/82/524927882.db2.gz ADBLIDFOSXVYOJ-XJKSGUPXSA-N 1 3 273.424 2.251 20 10 CECDHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCN3C)CC[N@H+]1C ZINC000157680586 524927891 /nfs/dbraw/zinc/92/78/91/524927891.db2.gz ADBLIDFOSXVYOJ-XJKSGUPXSA-N 1 3 273.424 2.251 20 10 CECDHO CCN(CC)c1ccc(CN[C@@H](C)CC[NH3+])cc1F ZINC000841049755 632353462 /nfs/dbraw/zinc/35/34/62/632353462.db2.gz GXAYVWPXLUYWAJ-LBPRGKRZSA-N 1 3 267.392 2.499 20 10 CECDHO CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c([O-])c1 ZINC000841028713 639621118 /nfs/dbraw/zinc/62/11/18/639621118.db2.gz CPBBMTKNDOJMBH-DOMZBBRYSA-N 1 3 278.396 2.398 20 10 CECDHO CCOc1cccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)c1O ZINC000841033084 639624752 /nfs/dbraw/zinc/62/47/52/639624752.db2.gz KGJIVTATVGTQFD-OLZOCXBDSA-N 1 3 278.396 2.269 20 10 CECDHO CCN(CC)c1ccc(C[NH2+][C@H]2CCCNC2)cc1 ZINC000841043658 639631031 /nfs/dbraw/zinc/63/10/31/639631031.db2.gz UUKMHSCAZSIUPE-HNNXBMFYSA-N 1 3 261.413 2.374 20 10 CECDHO C[C@@H](CN)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051471 640254988 /nfs/dbraw/zinc/25/49/88/640254988.db2.gz JBGAYRSSMIOGGC-AWEZNQCLSA-N 1 3 261.413 2.456 20 10 CECDHO C[C@@H](CN)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051471 640254990 /nfs/dbraw/zinc/25/49/90/640254990.db2.gz JBGAYRSSMIOGGC-AWEZNQCLSA-N 1 3 261.413 2.456 20 10 CECDHO C[C@H]([NH3+])[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843057359 640260101 /nfs/dbraw/zinc/26/01/01/640260101.db2.gz JFMDCUYRDWUUIP-WIJLQKJISA-N 1 3 273.424 2.435 20 10 CECDHO COc1ccc(O)c(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148649 641635042 /nfs/dbraw/zinc/63/50/42/641635042.db2.gz QYNAFVNGDSFMBN-CYBMUJFWSA-N 1 3 264.369 2.104 20 10 CECDHO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000768545754 646137869 /nfs/dbraw/zinc/13/78/69/646137869.db2.gz CQBCBSYZAFGBQX-ZDUSSCGKSA-N 1 3 278.396 2.174 20 10 CECDHO COc1cccc(O)c1C[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000768545754 646137875 /nfs/dbraw/zinc/13/78/75/646137875.db2.gz CQBCBSYZAFGBQX-ZDUSSCGKSA-N 1 3 278.396 2.174 20 10 CECDHO CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122381493 648333055 /nfs/dbraw/zinc/33/30/55/648333055.db2.gz RCVWGVLGYSHSSQ-ZBFHGGJFSA-N 1 3 261.413 2.312 20 10 CECDHO Cc1ccc(O)c(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001140623813 816306166 /nfs/dbraw/zinc/30/61/66/816306166.db2.gz SMPADFRHBBRQFV-UHFFFAOYSA-N 1 3 260.381 2.228 20 10 CECDHO COc1cccc(C[NH2+]CCC2CC[NH+](C)CC2)c1[O-] ZINC000105454232 261359250 /nfs/dbraw/zinc/35/92/50/261359250.db2.gz KTHSYJJLJNPKKG-UHFFFAOYSA-N 1 3 278.396 2.222 20 10 CECDHO CCOc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(O)c1 ZINC000897621507 631826167 /nfs/dbraw/zinc/82/61/67/631826167.db2.gz FHHWAJULNNFTRX-WMLDXEAASA-N 1 3 290.407 2.174 20 10 CECDHO CCOc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c(O)c1 ZINC000897621507 631826172 /nfs/dbraw/zinc/82/61/72/631826172.db2.gz FHHWAJULNNFTRX-WMLDXEAASA-N 1 3 290.407 2.174 20 10 CECDHO CCOc1ccc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c(O)c1 ZINC000897621507 631826178 /nfs/dbraw/zinc/82/61/78/631826178.db2.gz FHHWAJULNNFTRX-WMLDXEAASA-N 1 3 290.407 2.174 20 10 CECDHO CCOc1ccc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c(O)c1 ZINC000897621507 631826179 /nfs/dbraw/zinc/82/61/79/631826179.db2.gz FHHWAJULNNFTRX-WMLDXEAASA-N 1 3 290.407 2.174 20 10 CECDHO CCOc1ccc(O)c(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000841033734 631833372 /nfs/dbraw/zinc/83/33/72/631833372.db2.gz VEPZQUCIUWJKCM-QWHCGFSZSA-N 1 3 278.396 2.269 20 10 CECDHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000817891451 633752888 /nfs/dbraw/zinc/75/28/88/633752888.db2.gz KLWQLXVBCOAMGD-SOUVJXGZSA-N 1 3 291.439 2.300 20 10 CECDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000817896568 633758510 /nfs/dbraw/zinc/75/85/10/633758510.db2.gz KQCUDEZQTWIPLR-CZUORRHYSA-N 1 3 261.413 2.230 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000817969015 633812098 /nfs/dbraw/zinc/81/20/98/633812098.db2.gz PJNLQUAAIFCMHR-NWDGAFQWSA-N 1 3 264.369 2.194 20 10 CECDHO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1[O-] ZINC000817975742 633818278 /nfs/dbraw/zinc/81/82/78/633818278.db2.gz AMNCNNYFAWEEAW-QMTHXVAHSA-N 1 3 264.344 2.324 20 10 CECDHO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1[O-] ZINC000817975740 633818985 /nfs/dbraw/zinc/81/89/85/633818985.db2.gz AMNCNNYFAWEEAW-HZMBPMFUSA-N 1 3 264.344 2.324 20 10 CECDHO Cc1cc(O)c(CNC[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903955472 635389494 /nfs/dbraw/zinc/38/94/94/635389494.db2.gz SLGPKRPDPBBNHB-CYBMUJFWSA-N 1 3 284.350 2.343 20 10 CECDHO C[C@H]1CCNC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355012 635586979 /nfs/dbraw/zinc/58/69/79/635586979.db2.gz JSYYZLDTDMWJMZ-SWLSCSKDSA-N 1 3 260.381 2.099 20 10 CECDHO CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000904411534 635619453 /nfs/dbraw/zinc/61/94/53/635619453.db2.gz LZDJPEGEHMCJTQ-STQMWFEESA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000904411534 635619454 /nfs/dbraw/zinc/61/94/54/635619454.db2.gz LZDJPEGEHMCJTQ-STQMWFEESA-N 1 3 278.396 2.208 20 10 CECDHO CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000841030950 639622635 /nfs/dbraw/zinc/62/26/35/639622635.db2.gz PYTWKAJEYPIBEK-DZGCQCFKSA-N 1 3 279.403 2.499 20 10 CECDHO Cc1cc(N(C)C)ccc1CNC[C@H]1CCC[NH2+]C1 ZINC000841032497 639623845 /nfs/dbraw/zinc/62/38/45/639623845.db2.gz FNTXTUJKJJGTFE-AWEZNQCLSA-N 1 3 261.413 2.150 20 10 CECDHO CCOc1cccc(CNC[C@@]2(C)CCC[NH2+]C2)c1O ZINC000841057931 639635383 /nfs/dbraw/zinc/63/53/83/639635383.db2.gz SLQBVEOWGAFDSC-INIZCTEOSA-N 1 3 278.396 2.270 20 10 CECDHO Cc1cccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1O ZINC000841089613 639653136 /nfs/dbraw/zinc/65/31/36/639653136.db2.gz OUNBQLFSOHXYSQ-AWEZNQCLSA-N 1 3 260.381 2.465 20 10 CECDHO Cc1cc(Br)cc(CN(C)CCC[NH3+])c1O ZINC000843050426 640253480 /nfs/dbraw/zinc/25/34/80/640253480.db2.gz HGYPTQIIYFWKMU-UHFFFAOYSA-N 1 3 287.201 2.244 20 10 CECDHO C[NH2+]C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000843052147 640254277 /nfs/dbraw/zinc/25/42/77/640254277.db2.gz HPQDHLSBQXRVHH-AWEZNQCLSA-N 1 3 261.413 2.102 20 10 CECDHO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124845 640290437 /nfs/dbraw/zinc/29/04/37/640290437.db2.gz JCJJIAVCWCKWFX-UONOGXRCSA-N 1 3 290.407 2.222 20 10 CECDHO COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124845 640290442 /nfs/dbraw/zinc/29/04/42/640290442.db2.gz JCJJIAVCWCKWFX-UONOGXRCSA-N 1 3 290.407 2.222 20 10 CECDHO [O-]c1ccc(F)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843126770 640293281 /nfs/dbraw/zinc/29/32/81/640293281.db2.gz MZJBFRNTKLUUSX-CYBMUJFWSA-N 1 3 278.371 2.353 20 10 CECDHO Oc1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250091084 640454965 /nfs/dbraw/zinc/45/49/65/640454965.db2.gz VMKYLIBMLAUUEM-DZGCQCFKSA-N 1 3 260.381 2.356 20 10 CECDHO CCOc1cccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171604 641641339 /nfs/dbraw/zinc/64/13/39/641641339.db2.gz PNSSTLQJRWWKIR-CHWSQXEVSA-N 1 3 278.396 2.350 20 10 CECDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183418357 641733186 /nfs/dbraw/zinc/73/31/86/641733186.db2.gz AWOMZALDZQTHDF-CABCVRRESA-N 1 3 291.439 2.069 20 10 CECDHO COc1ccc(N2CC[C@@H](N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000849350814 642341125 /nfs/dbraw/zinc/34/11/25/642341125.db2.gz XFJAOHJUNIWTJI-LSDHHAIUSA-N 1 3 289.423 2.006 20 10 CECDHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851951563 643240232 /nfs/dbraw/zinc/24/02/32/643240232.db2.gz YUDZSYZVWRDYOU-WMLDXEAASA-N 1 3 293.455 2.104 20 10 CECDHO Cc1cc(CN[C@](C)(C[NH3+])C2CC2)ccc1N(C)C ZINC000923296696 643648387 /nfs/dbraw/zinc/64/83/87/643648387.db2.gz VUMWMGFAVJDGQM-MRXNPFEDSA-N 1 3 261.413 2.278 20 10 CECDHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1N(C)C ZINC000923381596 643688243 /nfs/dbraw/zinc/68/82/43/643688243.db2.gz JTMMLQGZZQZCRK-HUUCEWRRSA-N 1 3 261.413 2.421 20 10 CECDHO CC(C)[C@H]([NH3+])CCNCc1ccc(N(C)C)c(F)c1 ZINC000853247095 643721091 /nfs/dbraw/zinc/72/10/91/643721091.db2.gz CAFCVUGTJNVJAV-CQSZACIVSA-N 1 3 267.392 2.355 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000857226262 644858320 /nfs/dbraw/zinc/85/83/20/644858320.db2.gz JKNSISBCRXUEKZ-NVXWUHKLSA-N 1 3 273.424 2.374 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000857226262 644858327 /nfs/dbraw/zinc/85/83/27/644858327.db2.gz JKNSISBCRXUEKZ-NVXWUHKLSA-N 1 3 273.424 2.374 20 10 CECDHO CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(C)cc1[O-] ZINC000863546614 646753865 /nfs/dbraw/zinc/75/38/65/646753865.db2.gz LRTTVDXMUAXPMW-AWEZNQCLSA-N 1 3 266.385 2.107 20 10 CECDHO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000779025976 647283309 /nfs/dbraw/zinc/28/33/09/647283309.db2.gz RTTNGQCBZIXMPC-INIZCTEOSA-N 1 3 292.423 2.325 20 10 CECDHO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000779025976 647283311 /nfs/dbraw/zinc/28/33/11/647283311.db2.gz RTTNGQCBZIXMPC-INIZCTEOSA-N 1 3 292.423 2.325 20 10 CECDHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2c1c(F)ccc2[O-] ZINC000873255566 649611592 /nfs/dbraw/zinc/61/15/92/649611592.db2.gz HRGDXMLYXKFHRT-DNRKLUKYSA-N 1 3 264.344 2.407 20 10 CECDHO C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000699664737 807791722 /nfs/dbraw/zinc/79/17/22/807791722.db2.gz JUGKGWGWIPXFFV-UKRRQHHQSA-N 1 3 261.413 2.230 20 10 CECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC001140302025 816227030 /nfs/dbraw/zinc/22/70/30/816227030.db2.gz HSCMZIGWBFDXJI-CALCHBBNSA-N 1 3 285.435 2.280 20 10 CECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC001140302025 816227037 /nfs/dbraw/zinc/22/70/37/816227037.db2.gz HSCMZIGWBFDXJI-CALCHBBNSA-N 1 3 285.435 2.280 20 10 CECDHO CCN1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037644660 361918546 /nfs/dbraw/zinc/91/85/46/361918546.db2.gz PQEWTYIRLBBURD-AWEZNQCLSA-N 1 3 260.381 2.053 20 10 CECDHO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000179637655 368347091 /nfs/dbraw/zinc/34/70/91/368347091.db2.gz BPWKLDSTVDRWNR-CYBMUJFWSA-N 1 3 278.396 2.174 20 10 CECDHO CCOc1ccc(O)c(C[N@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000179637655 368347097 /nfs/dbraw/zinc/34/70/97/368347097.db2.gz BPWKLDSTVDRWNR-CYBMUJFWSA-N 1 3 278.396 2.174 20 10 CECDHO COc1cc(C)cc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1O ZINC000897620261 631831804 /nfs/dbraw/zinc/83/18/04/631831804.db2.gz JXBLSPIJWHKXAL-WMLDXEAASA-N 1 3 290.407 2.093 20 10 CECDHO COc1cc(C)cc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1O ZINC000897620261 631831809 /nfs/dbraw/zinc/83/18/09/631831809.db2.gz JXBLSPIJWHKXAL-WMLDXEAASA-N 1 3 290.407 2.093 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000817947116 633793704 /nfs/dbraw/zinc/79/37/04/633793704.db2.gz KOEKPIWTHAUCCX-RWMBFGLXSA-N 1 3 278.396 2.440 20 10 CECDHO C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817953864 633797398 /nfs/dbraw/zinc/79/73/98/633797398.db2.gz VKVUAVCSXLWIKM-WCABBAIRSA-N 1 3 252.333 2.407 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c([O-])c1 ZINC000841084466 639650485 /nfs/dbraw/zinc/65/04/85/639650485.db2.gz JXFYBLWTAHDUGH-WCQYABFASA-N 1 3 264.369 2.008 20 10 CECDHO CCOc1cccc(CN[C@@H](C[NH3+])C2CCCC2)c1O ZINC000841087453 639651844 /nfs/dbraw/zinc/65/18/44/639651844.db2.gz NTVUBFZQSVWUJB-AWEZNQCLSA-N 1 3 278.396 2.398 20 10 CECDHO COc1ccc(O)c(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841090461 639653085 /nfs/dbraw/zinc/65/30/85/639653085.db2.gz YLWILUIWCXKAQJ-CYBMUJFWSA-N 1 3 276.380 2.165 20 10 CECDHO CCOc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c([O-])c1 ZINC000843051699 640254752 /nfs/dbraw/zinc/25/47/52/640254752.db2.gz CERAOXZKUQPFJK-GFCCVEGCSA-N 1 3 278.396 2.350 20 10 CECDHO C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@H]1CC[NH3+] ZINC000844902560 640859888 /nfs/dbraw/zinc/85/98/88/640859888.db2.gz QPALCNXJJMNRJU-YPMHNXCESA-N 1 3 292.379 2.070 20 10 CECDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000844901449 640860494 /nfs/dbraw/zinc/86/04/94/640860494.db2.gz FMAFIBLZPQYUFG-INMHGKMJSA-N 1 3 290.407 2.111 20 10 CECDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000844901449 640860498 /nfs/dbraw/zinc/86/04/98/640860498.db2.gz FMAFIBLZPQYUFG-INMHGKMJSA-N 1 3 290.407 2.111 20 10 CECDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCCC[NH3+])c1[O-] ZINC000863544988 646752723 /nfs/dbraw/zinc/75/27/23/646752723.db2.gz GIMOHTHKFCGRLN-NSHDSACASA-N 1 3 286.803 2.370 20 10 CECDHO COc1ccc(O)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000217915208 394456092 /nfs/dbraw/zinc/45/60/92/394456092.db2.gz CGXRPGNODYLISG-XJKSGUPXSA-N 1 3 290.407 2.317 20 10 CECDHO COc1ccc(O)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000217915208 394456094 /nfs/dbraw/zinc/45/60/94/394456094.db2.gz CGXRPGNODYLISG-XJKSGUPXSA-N 1 3 290.407 2.317 20 10 CECDHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1O ZINC000124702727 394840432 /nfs/dbraw/zinc/84/04/32/394840432.db2.gz QKAZUCIAMNGAQA-ZDUSSCGKSA-N 1 3 260.381 2.275 20 10 CECDHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362478 260094567 /nfs/dbraw/zinc/09/45/67/260094567.db2.gz AMCHPLZKYAXGAK-UHFFFAOYSA-N 1 3 262.397 2.299 20 10 CECDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000037644008 521710508 /nfs/dbraw/zinc/71/05/08/521710508.db2.gz XEGHISNCAZAXPC-STQMWFEESA-N 1 3 278.396 2.393 20 10 CECDHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCN3C)CC[N@@H+]1C ZINC000157680721 525266770 /nfs/dbraw/zinc/26/67/70/525266770.db2.gz ADBLIDFOSXVYOJ-CJNGLKHVSA-N 1 3 273.424 2.251 20 10 CECDHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCN3C)CC[N@H+]1C ZINC000157680721 525266784 /nfs/dbraw/zinc/26/67/84/525266784.db2.gz ADBLIDFOSXVYOJ-CJNGLKHVSA-N 1 3 273.424 2.251 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1[O-] ZINC000841037407 631998104 /nfs/dbraw/zinc/99/81/04/631998104.db2.gz SRDHUCKAUSYNGQ-JTQLQIEISA-N 1 3 284.787 2.143 20 10 CECDHO C[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817963440 633804278 /nfs/dbraw/zinc/80/42/78/633804278.db2.gz UXOKONIUMDJKLR-KKZNHRDASA-N 1 3 252.333 2.264 20 10 CECDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834620968 637891966 /nfs/dbraw/zinc/89/19/66/637891966.db2.gz ZHVSPVVNXNTYNG-HUUCEWRRSA-N 1 3 292.423 2.326 20 10 CECDHO CCCC[C@H](C[NH3+])NCc1cccc(OC)c1O ZINC000841028329 639621131 /nfs/dbraw/zinc/62/11/31/639621131.db2.gz BEKBTBWBRYTSBB-GFCCVEGCSA-N 1 3 252.358 2.008 20 10 CECDHO CC(C)[C@H](N)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841031469 639623490 /nfs/dbraw/zinc/62/34/90/639623490.db2.gz SIGFLESETLRCBR-SQRWCISFSA-N 1 3 261.413 2.339 20 10 CECDHO [NH3+]C1(CNCc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000841048570 639632706 /nfs/dbraw/zinc/63/27/06/639632706.db2.gz KFGVXFULQYPXGJ-UHFFFAOYSA-N 1 3 258.724 2.156 20 10 CECDHO Cc1cc(N(C)C)ccc1CN[C@H]1CCC[NH2+]CC1 ZINC000841058311 639635392 /nfs/dbraw/zinc/63/53/92/639635392.db2.gz PITOJKMTNLKPRD-HNNXBMFYSA-N 1 3 261.413 2.293 20 10 CECDHO COc1ccc(O)c(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841090462 639653389 /nfs/dbraw/zinc/65/33/89/639653389.db2.gz YLWILUIWCXKAQJ-ZDUSSCGKSA-N 1 3 276.380 2.165 20 10 CECDHO CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c([O-])c1 ZINC000843126915 640293408 /nfs/dbraw/zinc/29/34/08/640293408.db2.gz NHGZRTAYLTVWCR-UHFFFAOYSA-N 1 3 290.407 2.366 20 10 CECDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000844909977 640863126 /nfs/dbraw/zinc/86/31/26/640863126.db2.gz FWWXHOBGLXYQRJ-VYDXJSESSA-N 1 3 290.407 2.253 20 10 CECDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2[O-])C1 ZINC000844909977 640863130 /nfs/dbraw/zinc/86/31/30/640863130.db2.gz FWWXHOBGLXYQRJ-VYDXJSESSA-N 1 3 290.407 2.253 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000846703813 641403203 /nfs/dbraw/zinc/40/32/03/641403203.db2.gz QLINSTAQXHMYMC-DZGCQCFKSA-N 1 3 261.413 2.373 20 10 CECDHO CN1CCCc2cc(CN[C@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000848718417 642111132 /nfs/dbraw/zinc/11/11/32/642111132.db2.gz MOVAWMRTBQAVCR-CVEARBPZSA-N 1 3 273.424 2.429 20 10 CECDHO Cc1cc(CN2CCC[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923281604 643637492 /nfs/dbraw/zinc/63/74/92/643637492.db2.gz QEBBIOFLTTWMGO-OAHLLOKOSA-N 1 3 261.413 2.232 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000857226263 644858862 /nfs/dbraw/zinc/85/88/62/644858862.db2.gz JKNSISBCRXUEKZ-RDJZCZTQSA-N 1 3 273.424 2.374 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000857226263 644858865 /nfs/dbraw/zinc/85/88/65/644858865.db2.gz JKNSISBCRXUEKZ-RDJZCZTQSA-N 1 3 273.424 2.374 20 10 CECDHO C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000863544587 646752660 /nfs/dbraw/zinc/75/26/60/646752660.db2.gz YMSWTGWCYYZOEQ-LLVKDONJSA-N 1 3 286.803 2.241 20 10 CECDHO C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000863544588 646753142 /nfs/dbraw/zinc/75/31/42/646753142.db2.gz YMSWTGWCYYZOEQ-NSHDSACASA-N 1 3 286.803 2.241 20 10 CECDHO COc1ccc(O)c(CNC2CC[NH+](C(C)C)CC2)c1 ZINC000020189499 649735672 /nfs/dbraw/zinc/73/56/72/649735672.db2.gz FJJPFAJFXDXSTH-UHFFFAOYSA-N 1 3 278.396 2.363 20 10 CECDHO Cc1cc(F)cc(C[NH+]2CCC3(CN(C)C3)CC2)c1O ZINC001238071004 808294180 /nfs/dbraw/zinc/29/41/80/808294180.db2.gz QSSZQPVCCDOAAI-UHFFFAOYSA-N 1 3 278.371 2.367 20 10 CECDHO CCc1cccc(C[NH2+]C[C@H]2CCN(CC)C2)c1O ZINC000691522260 812000110 /nfs/dbraw/zinc/00/01/10/812000110.db2.gz KQIINOPJPQNQIO-CYBMUJFWSA-N 1 3 262.397 2.386 20 10 CECDHO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C[NH3+] ZINC000397304694 813611967 /nfs/dbraw/zinc/61/19/67/813611967.db2.gz GHDXMDMMJZUQEV-WZRBSPASSA-N 1 3 266.360 2.337 20 10 CECDHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C[NH3+] ZINC000397304694 813611971 /nfs/dbraw/zinc/61/19/71/813611971.db2.gz GHDXMDMMJZUQEV-WZRBSPASSA-N 1 3 266.360 2.337 20 10 CECDHO C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000090720999 623543714 /nfs/dbraw/zinc/54/37/14/623543714.db2.gz PCOSUZSMJNLATG-ZFWWWQNUSA-N 1 3 261.413 2.325 20 10 CECDHO C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000090720999 623543719 /nfs/dbraw/zinc/54/37/19/623543719.db2.gz PCOSUZSMJNLATG-ZFWWWQNUSA-N 1 3 261.413 2.325 20 10 CECDHO COc1cc(C)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1O ZINC000894172295 629188176 /nfs/dbraw/zinc/18/81/76/629188176.db2.gz HHWNKSTWTUPOGA-CYBMUJFWSA-N 1 3 290.407 2.283 20 10 CECDHO COc1cccc(C[N@H+](C)CC(C)(C)CN(C)C)c1O ZINC000898309059 632167225 /nfs/dbraw/zinc/16/72/25/632167225.db2.gz JMOOPEYGJCMMHS-UHFFFAOYSA-N 1 3 280.412 2.420 20 10 CECDHO COc1cccc(C[N@@H+](C)CC(C)(C)CN(C)C)c1O ZINC000898309059 632167227 /nfs/dbraw/zinc/16/72/27/632167227.db2.gz JMOOPEYGJCMMHS-UHFFFAOYSA-N 1 3 280.412 2.420 20 10 CECDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000817887684 633751884 /nfs/dbraw/zinc/75/18/84/633751884.db2.gz CDBBDTVYTMWYMY-KGLIPLIRSA-N 1 3 293.480 2.455 20 10 CECDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000817896567 633757778 /nfs/dbraw/zinc/75/77/78/633757778.db2.gz KQCUDEZQTWIPLR-CJNGLKHVSA-N 1 3 261.413 2.230 20 10 CECDHO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817955521 633798813 /nfs/dbraw/zinc/79/88/13/633798813.db2.gz XXENGAUMTSPKMV-QWRGUYRKSA-N 1 3 252.333 2.182 20 10 CECDHO COc1cccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1O ZINC000841089268 637709091 /nfs/dbraw/zinc/70/90/91/637709091.db2.gz KLTMLKYGXCUXSU-ZDUSSCGKSA-N 1 3 276.380 2.165 20 10 CECDHO CCCC[C@@H](C[NH3+])NCc1cc(OCC)ccc1O ZINC000841030233 639622647 /nfs/dbraw/zinc/62/26/47/639622647.db2.gz VCDZCCZEUKIAEU-ZDUSSCGKSA-N 1 3 266.385 2.398 20 10 CECDHO CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c([O-])c1 ZINC000841033068 639625672 /nfs/dbraw/zinc/62/56/72/639625672.db2.gz KABMCBQLZKZCAK-CHWSQXEVSA-N 1 3 278.396 2.269 20 10 CECDHO C[C@@H](C[NH3+])CNCc1ccc(N2CCCCC2)cc1 ZINC000841050167 639633212 /nfs/dbraw/zinc/63/32/12/639633212.db2.gz YRJGZQPZFCINBJ-AWEZNQCLSA-N 1 3 261.413 2.361 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c([O-])c1 ZINC000841079804 639648369 /nfs/dbraw/zinc/64/83/69/639648369.db2.gz OQKACBZQDNEPLT-OAHLLOKOSA-N 1 3 276.380 2.023 20 10 CECDHO CCOc1ccc(O)c(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000841100813 639656357 /nfs/dbraw/zinc/65/63/57/639656357.db2.gz KPQKJDHVXKXCBT-TZMCWYRMSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(O)c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843051476 640255038 /nfs/dbraw/zinc/25/50/38/640255038.db2.gz JEGYIHUOXRWQDR-OLZOCXBDSA-N 1 3 278.396 2.350 20 10 CECDHO COc1cccc([O-])c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055644 640259000 /nfs/dbraw/zinc/25/90/00/640259000.db2.gz JQLYLLWASPKBAM-UHFFFAOYSA-N 1 3 264.369 2.103 20 10 CECDHO COc1cccc([O-])c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055644 640259004 /nfs/dbraw/zinc/25/90/04/640259004.db2.gz JQLYLLWASPKBAM-UHFFFAOYSA-N 1 3 264.369 2.103 20 10 CECDHO Cc1cccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843118264 640288261 /nfs/dbraw/zinc/28/82/61/640288261.db2.gz GGJDDCMBAGXEGM-INIZCTEOSA-N 1 3 260.381 2.276 20 10 CECDHO C[C@H](C[C@H](C)[NH3+])NC/C=C/c1ccc(N(C)C)cc1 ZINC000843130003 640296537 /nfs/dbraw/zinc/29/65/37/640296537.db2.gz WNEMXVPWYQUVQB-BUHQSOCUSA-N 1 3 261.413 2.481 20 10 CECDHO [O-]c1cccc2c1[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000844924379 640867343 /nfs/dbraw/zinc/86/73/43/640867343.db2.gz KYXXIWKVFGOSDC-AWEZNQCLSA-N 1 3 260.381 2.359 20 10 CECDHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000070171808 641641788 /nfs/dbraw/zinc/64/17/88/641641788.db2.gz KMYLCFWXEKEZOZ-HIFRSBDPSA-N 1 3 261.413 2.312 20 10 CECDHO Cc1cc(C[N@@H+]2CCCC[C@H]2CN)ccc1N(C)C ZINC000923282732 643638460 /nfs/dbraw/zinc/63/84/60/643638460.db2.gz XEOUMITXXOEPGJ-HNNXBMFYSA-N 1 3 261.413 2.374 20 10 CECDHO Cc1cc(C[N@H+]2CCCC[C@H]2CN)ccc1N(C)C ZINC000923282732 643638464 /nfs/dbraw/zinc/63/84/64/643638464.db2.gz XEOUMITXXOEPGJ-HNNXBMFYSA-N 1 3 261.413 2.374 20 10 CECDHO CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(C)cc1[O-] ZINC000863546615 646753503 /nfs/dbraw/zinc/75/35/03/646753503.db2.gz LRTTVDXMUAXPMW-CQSZACIVSA-N 1 3 266.385 2.107 20 10 CECDHO C[C@H](NCc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000699664738 807791332 /nfs/dbraw/zinc/79/13/32/807791332.db2.gz JUGKGWGWIPXFFV-ZFWWWQNUSA-N 1 3 261.413 2.230 20 10 CECDHO Oc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371463716 373891034 /nfs/dbraw/zinc/89/10/34/373891034.db2.gz KOTGZCZHAUGPED-OAGGEKHMSA-N 1 3 272.392 2.308 20 10 CECDHO Oc1ccccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371463716 373891039 /nfs/dbraw/zinc/89/10/39/373891039.db2.gz KOTGZCZHAUGPED-OAGGEKHMSA-N 1 3 272.392 2.308 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]CCCC[NH+](C)C)c1[O-] ZINC000228672678 394476344 /nfs/dbraw/zinc/47/63/44/394476344.db2.gz LTZWNNRQFGRSMA-UHFFFAOYSA-N 1 3 286.803 2.486 20 10 CECDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183548607 395259735 /nfs/dbraw/zinc/25/97/35/395259735.db2.gz PHUWVXPGMQQKDJ-KGLIPLIRSA-N 1 3 280.412 2.400 20 10 CECDHO CN(C)c1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408223 522207767 /nfs/dbraw/zinc/20/77/67/522207767.db2.gz SLPSOCJEXKAUMG-OAHLLOKOSA-N 1 3 273.424 2.327 20 10 CECDHO CN(C)c1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408223 522207779 /nfs/dbraw/zinc/20/77/79/522207779.db2.gz SLPSOCJEXKAUMG-OAHLLOKOSA-N 1 3 273.424 2.327 20 10 CECDHO CN(C)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037408223 522207791 /nfs/dbraw/zinc/20/77/91/522207791.db2.gz SLPSOCJEXKAUMG-OAHLLOKOSA-N 1 3 273.424 2.327 20 10 CECDHO Cc1ccc(O)c(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843123846 631736970 /nfs/dbraw/zinc/73/69/70/631736970.db2.gz QIGYUXPLKLUOLV-MRXNPFEDSA-N 1 3 260.381 2.276 20 10 CECDHO CCO[C@@H](CN[C@H](C)c1cc(C)ccc1O)C[NH+](C)C ZINC000926962643 632389925 /nfs/dbraw/zinc/38/99/25/632389925.db2.gz RKLABNPWMXQYBD-KGLIPLIRSA-N 1 3 280.412 2.318 20 10 CECDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000817902323 633764352 /nfs/dbraw/zinc/76/43/52/633764352.db2.gz NSXZFWKSCKEYAM-DOMZBBRYSA-N 1 3 260.381 2.099 20 10 CECDHO CC[NH2+]CCCN[C@H](C)c1cc(OC)ccc1O ZINC000817942614 633791053 /nfs/dbraw/zinc/79/10/53/633791053.db2.gz BJIKYUMUDXITRE-LLVKDONJSA-N 1 3 252.358 2.051 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000817969016 633812374 /nfs/dbraw/zinc/81/23/74/633812374.db2.gz PJNLQUAAIFCMHR-RYUDHWBXSA-N 1 3 264.369 2.194 20 10 CECDHO COCC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC[NH2+]CC1 ZINC000817975685 633819115 /nfs/dbraw/zinc/81/91/15/633819115.db2.gz XTYXRRPRGAXEME-CQSZACIVSA-N 1 3 292.423 2.367 20 10 CECDHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980726 633823182 /nfs/dbraw/zinc/82/31/82/633823182.db2.gz WQAGZPJWMHTIJS-OCCSQVGLSA-N 1 3 295.402 2.050 20 10 CECDHO COc1ccc(O)c(CN2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903959434 635369461 /nfs/dbraw/zinc/36/94/61/635369461.db2.gz HYIHXOTYYICKGO-KRWDZBQOSA-N 1 3 290.407 2.366 20 10 CECDHO CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000904411531 635619384 /nfs/dbraw/zinc/61/93/84/635619384.db2.gz LZDJPEGEHMCJTQ-CHWSQXEVSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000904411531 635619387 /nfs/dbraw/zinc/61/93/87/635619387.db2.gz LZDJPEGEHMCJTQ-CHWSQXEVSA-N 1 3 278.396 2.208 20 10 CECDHO COc1cccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087473 637568262 /nfs/dbraw/zinc/56/82/62/637568262.db2.gz OECNJXWKJWMIEP-ZFWWWQNUSA-N 1 3 290.407 2.365 20 10 CECDHO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876940374 650497096 /nfs/dbraw/zinc/49/70/96/650497096.db2.gz SFBCEJXPTXVOBU-CABCVRRESA-N 1 3 260.381 2.417 20 10 CECDHO Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876940374 650497100 /nfs/dbraw/zinc/49/71/00/650497100.db2.gz SFBCEJXPTXVOBU-CABCVRRESA-N 1 3 260.381 2.417 20 10 CECDHO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876940376 650497186 /nfs/dbraw/zinc/49/71/86/650497186.db2.gz SFBCEJXPTXVOBU-HUUCEWRRSA-N 1 3 260.381 2.417 20 10 CECDHO Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876940376 650497188 /nfs/dbraw/zinc/49/71/88/650497188.db2.gz SFBCEJXPTXVOBU-HUUCEWRRSA-N 1 3 260.381 2.417 20 10 CECDHO C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1CC[NH3+] ZINC000844902558 640859942 /nfs/dbraw/zinc/85/99/42/640859942.db2.gz QPALCNXJJMNRJU-DGCLKSJQSA-N 1 3 292.379 2.070 20 10 CECDHO C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000848558329 642051901 /nfs/dbraw/zinc/05/19/01/642051901.db2.gz OSCPPNPPFODKLT-YUTCNCBUSA-N 1 3 260.381 2.309 20 10 CECDHO CN1CC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725573 649469668 /nfs/dbraw/zinc/46/96/68/649469668.db2.gz UOQUZFBPQWCJPC-DOTOQJQBSA-N 1 3 286.419 2.407 20 10 CECDHO CN1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725573 649469671 /nfs/dbraw/zinc/46/96/71/649469671.db2.gz UOQUZFBPQWCJPC-DOTOQJQBSA-N 1 3 286.419 2.407 20 10 CECDHO Nc1ccc(CC[NH2+]Cc2cc3c(s2)CCNC3)cc1 ZINC000873210381 649590722 /nfs/dbraw/zinc/59/07/22/649590722.db2.gz DOLVXTYFYMODTO-UHFFFAOYSA-N 1 3 287.432 2.308 20 10 CECDHO C[N@H+]1CC=C(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000392248003 813299092 /nfs/dbraw/zinc/29/90/92/813299092.db2.gz RREZQRCDPMSUSI-AWEZNQCLSA-N 1 3 258.365 2.231 20 10 CECDHO C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000392248003 813299101 /nfs/dbraw/zinc/29/91/01/813299101.db2.gz RREZQRCDPMSUSI-AWEZNQCLSA-N 1 3 258.365 2.231 20 10 CECDHO Cc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)c(O)c1C ZINC000273418189 373754711 /nfs/dbraw/zinc/75/47/11/373754711.db2.gz RLJHUVCDEZGGNN-HUUCEWRRSA-N 1 3 292.423 2.116 20 10 CECDHO CCN(CC)c1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000841049285 632352906 /nfs/dbraw/zinc/35/29/06/632352906.db2.gz JBTMFBPEAYXBPO-INIZCTEOSA-N 1 3 261.413 2.360 20 10 CECDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000817896566 633758357 /nfs/dbraw/zinc/75/83/57/633758357.db2.gz KQCUDEZQTWIPLR-BBRMVZONSA-N 1 3 261.413 2.230 20 10 CECDHO CC[NH2+]CCCN[C@@H](C)c1cc(OC)ccc1O ZINC000817942617 633791272 /nfs/dbraw/zinc/79/12/72/633791272.db2.gz BJIKYUMUDXITRE-NSHDSACASA-N 1 3 252.358 2.051 20 10 CECDHO Cc1ccc(O)c(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089326 637710090 /nfs/dbraw/zinc/71/00/90/637710090.db2.gz LSRRSKGCXFBFHZ-AWEZNQCLSA-N 1 3 260.381 2.465 20 10 CECDHO CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c([O-])c1 ZINC000841028720 639621411 /nfs/dbraw/zinc/62/14/11/639621411.db2.gz CPBBMTKNDOJMBH-WFASDCNBSA-N 1 3 278.396 2.398 20 10 CECDHO CCOc1cccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1O ZINC000841033085 639625410 /nfs/dbraw/zinc/62/54/10/639625410.db2.gz KGJIVTATVGTQFD-QWHCGFSZSA-N 1 3 278.396 2.269 20 10 CECDHO CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)c([O-])c1 ZINC000841057076 639635616 /nfs/dbraw/zinc/63/56/16/639635616.db2.gz LRZVEEGWEMEHJL-UHFFFAOYSA-N 1 3 278.396 2.270 20 10 CECDHO C[C@H](C[NH3+])NCc1ccc(OCc2ccccc2)cc1O ZINC000841059776 639637163 /nfs/dbraw/zinc/63/71/63/639637163.db2.gz CAOZAPYLTDMKPP-CYBMUJFWSA-N 1 3 286.375 2.408 20 10 CECDHO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1F ZINC000841077038 639647377 /nfs/dbraw/zinc/64/73/77/639647377.db2.gz XBRVJCXYOSSZTQ-NWDGAFQWSA-N 1 3 267.392 2.497 20 10 CECDHO CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)c([O-])c1 ZINC000843049769 640253882 /nfs/dbraw/zinc/25/38/82/640253882.db2.gz SZYGVZXMDBXHIT-UHFFFAOYSA-N 1 3 278.396 2.222 20 10 CECDHO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877157827 650602075 /nfs/dbraw/zinc/60/20/75/650602075.db2.gz CZJAJAHSFRRDBU-AWEZNQCLSA-N 1 3 280.412 2.147 20 10 CECDHO COc1ccc(O)c(CNCc2ccc(C[NH3+])cc2F)c1 ZINC000844904088 640861223 /nfs/dbraw/zinc/86/12/23/640861223.db2.gz ARHGJGIWAZBDJD-UHFFFAOYSA-N 1 3 290.338 2.288 20 10 CECDHO COc1ccc(N2CC[C@H](N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000849350812 642340460 /nfs/dbraw/zinc/34/04/60/642340460.db2.gz XFJAOHJUNIWTJI-GJZGRUSLSA-N 1 3 289.423 2.006 20 10 CECDHO Cc1cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923291453 643638642 /nfs/dbraw/zinc/63/86/42/643638642.db2.gz SQMIGAFBIGEWPD-UKRRQHHQSA-N 1 3 261.413 2.230 20 10 CECDHO COc1ccc(O)c(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872251231 649329009 /nfs/dbraw/zinc/32/90/09/649329009.db2.gz IGWIHQMLJWNVMW-CYBMUJFWSA-N 1 3 278.396 2.269 20 10 CECDHO COc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C)C2)c1O ZINC000872725542 649469949 /nfs/dbraw/zinc/46/99/49/649469949.db2.gz UDNYXLWWAJTPSP-ZFWWWQNUSA-N 1 3 290.407 2.235 20 10 CECDHO COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCN3C)C2)c1O ZINC000872725542 649469951 /nfs/dbraw/zinc/46/99/51/649469951.db2.gz UDNYXLWWAJTPSP-ZFWWWQNUSA-N 1 3 290.407 2.235 20 10 CECDHO COc1cc(CN(C)CCSC)cc(C[NH+](C)C)c1O ZINC001139259950 815998374 /nfs/dbraw/zinc/99/83/74/815998374.db2.gz FAUPHJFRMJYMNW-UHFFFAOYSA-N 1 3 298.452 2.257 20 10 CECDHO Cc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)c(O)c1C ZINC000273418193 373755876 /nfs/dbraw/zinc/75/58/76/373755876.db2.gz RLJHUVCDEZGGNN-LSDHHAIUSA-N 1 3 292.423 2.116 20 10 CECDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc2c(c1)CCN2C ZINC000368734739 267200946 /nfs/dbraw/zinc/20/09/46/267200946.db2.gz ZYOOVWCUZOWFKV-CKEIUWERSA-N 1 3 287.451 2.497 20 10 CECDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc2c(c1)CCN2C ZINC000368734739 267200949 /nfs/dbraw/zinc/20/09/49/267200949.db2.gz ZYOOVWCUZOWFKV-CKEIUWERSA-N 1 3 287.451 2.497 20 10 CECDHO COc1ccc(O)c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040622410 623746251 /nfs/dbraw/zinc/74/62/51/623746251.db2.gz YKPFHXRGYITYGA-CYBMUJFWSA-N 1 3 278.396 2.221 20 10 CECDHO COc1ccc(O)c(CNC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040622410 623746254 /nfs/dbraw/zinc/74/62/54/623746254.db2.gz YKPFHXRGYITYGA-CYBMUJFWSA-N 1 3 278.396 2.221 20 10 CECDHO [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000904333753 635577688 /nfs/dbraw/zinc/57/76/88/635577688.db2.gz FMROHGRFYCBPMA-IMJJTQAJSA-N 1 3 290.407 2.111 20 10 CECDHO [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000904333753 635577690 /nfs/dbraw/zinc/57/76/90/635577690.db2.gz FMROHGRFYCBPMA-IMJJTQAJSA-N 1 3 290.407 2.111 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C)CC2)c1[O-] ZINC000228673616 631213832 /nfs/dbraw/zinc/21/38/32/631213832.db2.gz UWWUTSFDEDZOEJ-UHFFFAOYSA-N 1 3 298.814 2.486 20 10 CECDHO CCCC[C@H](C[NH3+])NCc1cccc(OCC)c1O ZINC000841029772 631814400 /nfs/dbraw/zinc/81/44/00/631814400.db2.gz RXTAJJBQILUQEU-CYBMUJFWSA-N 1 3 266.385 2.398 20 10 CECDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956851 633799801 /nfs/dbraw/zinc/79/98/01/633799801.db2.gz FEAIAAWSZAODIW-GFCCVEGCSA-N 1 3 284.407 2.324 20 10 CECDHO [O-]c1ccccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960165 635369794 /nfs/dbraw/zinc/36/97/94/635369794.db2.gz YCWKMMZEKKGISN-INIZCTEOSA-N 1 3 260.381 2.358 20 10 CECDHO [O-]c1ccccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960165 635369797 /nfs/dbraw/zinc/36/97/97/635369797.db2.gz YCWKMMZEKKGISN-INIZCTEOSA-N 1 3 260.381 2.358 20 10 CECDHO CN(C)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000841029087 639621532 /nfs/dbraw/zinc/62/15/32/639621532.db2.gz FUYCULKQGLITGC-OCCSQVGLSA-N 1 3 265.376 2.109 20 10 CECDHO CCN(CC)c1ccc(CNC[C@@H](C)C[NH3+])cc1F ZINC000841049476 639632059 /nfs/dbraw/zinc/63/20/59/639632059.db2.gz RYPGRGSEPZJLIV-LBPRGKRZSA-N 1 3 267.392 2.356 20 10 CECDHO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c([O-])c1 ZINC000841054625 639634701 /nfs/dbraw/zinc/63/47/01/639634701.db2.gz FVRRXICRXYJECQ-OLZOCXBDSA-N 1 3 264.369 2.150 20 10 CECDHO Cc1cccc(O)c1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000877642250 650830960 /nfs/dbraw/zinc/83/09/60/650830960.db2.gz IIHNYNMMOFYSQS-HNNXBMFYSA-N 1 3 292.423 2.243 20 10 CECDHO C[NH+](C)CCOC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000779013277 647282652 /nfs/dbraw/zinc/28/26/52/647282652.db2.gz HCUVQUQVWJHMKZ-UHFFFAOYSA-N 1 3 296.386 2.074 20 10 CECDHO C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1[O-] ZINC000873293114 649630195 /nfs/dbraw/zinc/63/01/95/649630195.db2.gz XZHPTTMJNWCRHS-UONOGXRCSA-N 1 3 290.407 2.202 20 10 CECDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CNCCCO1 ZINC001118122140 814985695 /nfs/dbraw/zinc/98/56/95/814985695.db2.gz PUSYVMWWCQJUSB-MGPQQGTHSA-N 1 3 290.407 2.217 20 10 CECDHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001172110344 815301402 /nfs/dbraw/zinc/30/14/02/815301402.db2.gz MNNHRBIXQKJDGV-ZSOGYDGISA-N 1 3 276.380 2.203 20 10 CECDHO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1[O-] ZINC000183544364 395259126 /nfs/dbraw/zinc/25/91/26/395259126.db2.gz DMNDDVIVQONJHR-AWEZNQCLSA-N 1 3 291.439 2.069 20 10 CECDHO COc1ccc([O-])c(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000164680795 331281143 /nfs/dbraw/zinc/28/11/43/331281143.db2.gz ZLPBVNYPIDOTDH-UHFFFAOYSA-N 1 3 278.396 2.222 20 10 CECDHO C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817968719 633811832 /nfs/dbraw/zinc/81/18/32/633811832.db2.gz WLFIBORXJCDFAC-SNVBAGLBSA-N 1 3 250.317 2.102 20 10 CECDHO COCC1(C[NH2+][C@H](C)c2ccccc2[O-])CC[NH2+]CC1 ZINC000817974698 633818727 /nfs/dbraw/zinc/81/87/27/633818727.db2.gz NTMLVSULYTUFRX-CYBMUJFWSA-N 1 3 278.396 2.059 20 10 CECDHO CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000904411533 635619498 /nfs/dbraw/zinc/61/94/98/635619498.db2.gz LZDJPEGEHMCJTQ-QWHCGFSZSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000904411533 635619499 /nfs/dbraw/zinc/61/94/99/635619499.db2.gz LZDJPEGEHMCJTQ-QWHCGFSZSA-N 1 3 278.396 2.208 20 10 CECDHO COc1ccc(O)c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841085706 637397714 /nfs/dbraw/zinc/39/77/14/637397714.db2.gz BCCSQKGMBLNCIT-XJKSGUPXSA-N 1 3 290.407 2.365 20 10 CECDHO Cc1cccc(CN(C2CC2)C2CC[NH2+]CC2)c1O ZINC000843044106 640249637 /nfs/dbraw/zinc/24/96/37/640249637.db2.gz SXNZXZBSVDTNGA-UHFFFAOYSA-N 1 3 260.381 2.417 20 10 CECDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046427 640251049 /nfs/dbraw/zinc/25/10/49/640251049.db2.gz VRGIRGNYAQRHOZ-HNNXBMFYSA-N 1 3 290.407 2.365 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000846703818 641403720 /nfs/dbraw/zinc/40/37/20/641403720.db2.gz QLINSTAQXHMYMC-UKRRQHHQSA-N 1 3 261.413 2.373 20 10 CECDHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000070171807 641642031 /nfs/dbraw/zinc/64/20/31/641642031.db2.gz KMYLCFWXEKEZOZ-ZFWWWQNUSA-N 1 3 261.413 2.312 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000857226261 644857987 /nfs/dbraw/zinc/85/79/87/644857987.db2.gz JKNSISBCRXUEKZ-DOTOQJQBSA-N 1 3 273.424 2.374 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000857226261 644857990 /nfs/dbraw/zinc/85/79/90/644857990.db2.gz JKNSISBCRXUEKZ-DOTOQJQBSA-N 1 3 273.424 2.374 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000857226264 644858747 /nfs/dbraw/zinc/85/87/47/644858747.db2.gz JKNSISBCRXUEKZ-WBVHZDCISA-N 1 3 273.424 2.374 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000857226264 644858750 /nfs/dbraw/zinc/85/87/50/644858750.db2.gz JKNSISBCRXUEKZ-WBVHZDCISA-N 1 3 273.424 2.374 20 10 CECDHO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C[NH3+] ZINC000397304686 813611799 /nfs/dbraw/zinc/61/17/99/813611799.db2.gz GHDXMDMMJZUQEV-MDZLAQPJSA-N 1 3 266.360 2.337 20 10 CECDHO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C[NH3+] ZINC000397304686 813611805 /nfs/dbraw/zinc/61/18/05/813611805.db2.gz GHDXMDMMJZUQEV-MDZLAQPJSA-N 1 3 266.360 2.337 20 10 CECDHO CCC[N@H+](CCCN(C)C)Cc1cc(O)ccc1O ZINC001141161475 816491332 /nfs/dbraw/zinc/49/13/32/816491332.db2.gz FKRQXQQSRHDZFM-UHFFFAOYSA-N 1 3 266.385 2.262 20 10 CECDHO CCC[N@@H+](CCCN(C)C)Cc1cc(O)ccc1O ZINC001141161475 816491336 /nfs/dbraw/zinc/49/13/36/816491336.db2.gz FKRQXQQSRHDZFM-UHFFFAOYSA-N 1 3 266.385 2.262 20 10 CECDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069160315 816861292 /nfs/dbraw/zinc/86/12/92/816861292.db2.gz FHTGMFKWMINDTQ-HNNXBMFYSA-N 1 3 274.408 2.443 20 10 CECDHO CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000180550022 368386270 /nfs/dbraw/zinc/38/62/70/368386270.db2.gz TVGIUINRMFJJTQ-AWEZNQCLSA-N 1 3 262.397 2.474 20 10 CECDHO CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000180550022 368386279 /nfs/dbraw/zinc/38/62/79/368386279.db2.gz TVGIUINRMFJJTQ-AWEZNQCLSA-N 1 3 262.397 2.474 20 10 CECDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccccc1O ZINC000374890897 374635587 /nfs/dbraw/zinc/63/55/87/374635587.db2.gz FEXGDYVJEXMTIW-BFYDXBDKSA-N 1 3 290.407 2.076 20 10 CECDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N)CC2)c1O ZINC000902408647 634623376 /nfs/dbraw/zinc/62/33/76/634623376.db2.gz ZZOXTDDBJPAWFC-SECBINFHSA-N 1 3 254.761 2.496 20 10 CECDHO [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236179639 628974844 /nfs/dbraw/zinc/97/48/44/628974844.db2.gz XNLNWSWFIXQOEL-NSHDSACASA-N 1 3 252.333 2.092 20 10 CECDHO [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236179639 628974845 /nfs/dbraw/zinc/97/48/45/628974845.db2.gz XNLNWSWFIXQOEL-NSHDSACASA-N 1 3 252.333 2.092 20 10 CECDHO COc1ccc(O)c([C@H](C)NC[C@H]2CCC[NH2+]C2)c1 ZINC000817946130 633793644 /nfs/dbraw/zinc/79/36/44/633793644.db2.gz RZMKOSFYZXUJIB-RYUDHWBXSA-N 1 3 264.369 2.051 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970771 633814331 /nfs/dbraw/zinc/81/43/31/633814331.db2.gz DWGUFMMGPJRVTO-SDDRHHMPSA-N 1 3 264.369 2.192 20 10 CECDHO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)ccc1[O-] ZINC000817982235 633825245 /nfs/dbraw/zinc/82/52/45/633825245.db2.gz PRJCKKCOFDHBSZ-HOSYDEDBSA-N 1 3 252.333 2.309 20 10 CECDHO Cc1cccc(CNC[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000903954871 635389215 /nfs/dbraw/zinc/38/92/15/635389215.db2.gz HMRHYKRBMXCORS-GFCCVEGCSA-N 1 3 270.323 2.035 20 10 CECDHO Cc1cc(O)c(CN[C@@H](C[NH3+])CC(C)C)cc1C ZINC000841037625 639628968 /nfs/dbraw/zinc/62/89/68/639628968.db2.gz BQHQMTHIXUASBH-CQSZACIVSA-N 1 3 250.386 2.472 20 10 CECDHO CN(C)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000841056958 639634414 /nfs/dbraw/zinc/63/44/14/639634414.db2.gz GHHHPHFILQXGPU-OLZOCXBDSA-N 1 3 265.376 2.251 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1[O-] ZINC000841057295 639635720 /nfs/dbraw/zinc/63/57/20/639635720.db2.gz IWXCDHQJACVKNB-NEPJUHHUSA-N 1 3 284.787 2.414 20 10 CECDHO CCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c([O-])c1 ZINC000841079803 639648557 /nfs/dbraw/zinc/64/85/57/639648557.db2.gz OQKACBZQDNEPLT-HNNXBMFYSA-N 1 3 276.380 2.023 20 10 CECDHO COc1ccc(O)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000179734037 641380128 /nfs/dbraw/zinc/38/01/28/641380128.db2.gz RNOMZMWUBXJFCM-CYBMUJFWSA-N 1 3 278.396 2.174 20 10 CECDHO COc1ccc(O)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000179734037 641380132 /nfs/dbraw/zinc/38/01/32/641380132.db2.gz RNOMZMWUBXJFCM-CYBMUJFWSA-N 1 3 278.396 2.174 20 10 CECDHO CC[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122381701 648332974 /nfs/dbraw/zinc/33/29/74/648332974.db2.gz RCVWGVLGYSHSSQ-HOCLYGCPSA-N 1 3 261.413 2.312 20 10 CECDHO Cc1c(O)ccc(CN2CCN(c3cc[nH+]cc3)CC2)c1O ZINC001140741798 803511698 /nfs/dbraw/zinc/51/16/98/803511698.db2.gz CEQVNACZSWIYML-UHFFFAOYSA-N 1 3 299.374 2.123 20 10 CECDHO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCNC1 ZINC001246173433 813718804 /nfs/dbraw/zinc/71/88/04/813718804.db2.gz HBLPUJGYGHIDPX-HNNXBMFYSA-N 1 3 259.397 2.128 20 10 CECDHO Cc1ccc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001140958300 816425985 /nfs/dbraw/zinc/42/59/85/816425985.db2.gz XFAMKIWJUGBNBQ-GDBMZVCRSA-N 1 3 260.381 2.084 20 10 CECDHO COc1ccc(O)c([C@H](C)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000817946128 633793267 /nfs/dbraw/zinc/79/32/67/633793267.db2.gz RZMKOSFYZXUJIB-NWDGAFQWSA-N 1 3 264.369 2.051 20 10 CECDHO COc1ccc(O)c([C@@H](C)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000817946132 633793449 /nfs/dbraw/zinc/79/34/49/633793449.db2.gz RZMKOSFYZXUJIB-VXGBXAGGSA-N 1 3 264.369 2.051 20 10 CECDHO Cc1cc(Br)cc([C@@H](C)NC[C@H](C)[NH3+])c1O ZINC000817972965 633816280 /nfs/dbraw/zinc/81/62/80/633816280.db2.gz QOSBBBDICBZVED-DTWKUNHWSA-N 1 3 287.201 2.461 20 10 CECDHO Cc1ccc(O)c(CNC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955543 635389549 /nfs/dbraw/zinc/38/95/49/635389549.db2.gz UZWVTMZRDWGEEQ-LBPRGKRZSA-N 1 3 270.323 2.035 20 10 CECDHO C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355013 635586795 /nfs/dbraw/zinc/58/67/95/635586795.db2.gz JSYYZLDTDMWJMZ-WFASDCNBSA-N 1 3 260.381 2.099 20 10 CECDHO C[N@@H+]1C[C@@H]2CN(Cc3cc4c(cc3O)CCC4)C[C@]2(C)C1 ZINC000904435629 635630147 /nfs/dbraw/zinc/63/01/47/635630147.db2.gz CHUDANRMYZWROF-AEFFLSMTSA-N 1 3 286.419 2.264 20 10 CECDHO C[N@H+]1C[C@@H]2CN(Cc3cc4c(cc3O)CCC4)C[C@]2(C)C1 ZINC000904435629 635630148 /nfs/dbraw/zinc/63/01/48/635630148.db2.gz CHUDANRMYZWROF-AEFFLSMTSA-N 1 3 286.419 2.264 20 10 CECDHO CCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)c([O-])c1 ZINC000843107503 640283047 /nfs/dbraw/zinc/28/30/47/640283047.db2.gz QOJSWCDOBFGTSK-UHFFFAOYSA-N 1 3 264.369 2.150 20 10 CECDHO CCOc1ccc(O)c(CN2CCCC[C@H]2CC[NH3+])c1 ZINC000843122381 640291328 /nfs/dbraw/zinc/29/13/28/640291328.db2.gz BVNBLXMASIMKOM-AWEZNQCLSA-N 1 3 278.396 2.494 20 10 CECDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846142286 641199106 /nfs/dbraw/zinc/19/91/06/641199106.db2.gz ZVKIHDFJTONYLT-OLZOCXBDSA-N 1 3 278.396 2.393 20 10 CECDHO Cc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@]3(N)C2)cc1C ZINC000857226760 644859913 /nfs/dbraw/zinc/85/99/13/644859913.db2.gz YWDFBBPBNKHWFB-ZBFHGGJFSA-N 1 3 260.381 2.322 20 10 CECDHO Cc1cc(O)c(C[N@H+]2C[C@H]3CCC[C@]3(N)C2)cc1C ZINC000857226760 644859916 /nfs/dbraw/zinc/85/99/16/644859916.db2.gz YWDFBBPBNKHWFB-ZBFHGGJFSA-N 1 3 260.381 2.322 20 10 CECDHO COc1cccc([O-])c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000768303532 646106650 /nfs/dbraw/zinc/10/66/50/646106650.db2.gz PZHWZBLHHYRMHH-UHFFFAOYSA-N 1 3 278.396 2.174 20 10 CECDHO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2c1c(F)ccc2[O-] ZINC000873250448 649609556 /nfs/dbraw/zinc/60/95/56/649609556.db2.gz HRGDXMLYXKFHRT-UXCLJVHYSA-N 1 3 264.344 2.407 20 10 CECDHO Cc1ccc(O)c(CN2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206351655 816803936 /nfs/dbraw/zinc/80/39/36/816803936.db2.gz HKHXULCKZCTCCJ-HNNXBMFYSA-N 1 3 266.360 2.354 20 10 CECDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000179630687 368345205 /nfs/dbraw/zinc/34/52/05/368345205.db2.gz LYPXFPAXZXZBBF-OAHLLOKOSA-N 1 3 261.413 2.136 20 10 CECDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000179630687 368345207 /nfs/dbraw/zinc/34/52/07/368345207.db2.gz LYPXFPAXZXZBBF-OAHLLOKOSA-N 1 3 261.413 2.136 20 10 CECDHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946164 633793566 /nfs/dbraw/zinc/79/35/66/633793566.db2.gz SRKYJKAKMOZYEQ-ZIAGYGMSSA-N 1 3 261.413 2.403 20 10 CECDHO COc1ccc(O)c([C@@H](C)NCCC[NH2+]C2CC2)c1 ZINC000817984056 633827464 /nfs/dbraw/zinc/82/74/64/633827464.db2.gz MIENOLUGSGLTKP-LLVKDONJSA-N 1 3 264.369 2.194 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000817984920 633827770 /nfs/dbraw/zinc/82/77/70/633827770.db2.gz CCMDRRRGCICXAS-CQSZACIVSA-N 1 3 258.365 2.279 20 10 CECDHO [O-]c1cccc2c1[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000817984919 633828565 /nfs/dbraw/zinc/82/85/65/633828565.db2.gz CCMDRRRGCICXAS-AWEZNQCLSA-N 1 3 258.365 2.279 20 10 CECDHO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000841051625 639633604 /nfs/dbraw/zinc/63/36/04/639633604.db2.gz SVVAYTBAEWVNOF-QDLOVBKTSA-N 1 3 259.397 2.093 20 10 CECDHO CCOc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c([O-])c1 ZINC000843051701 640255353 /nfs/dbraw/zinc/25/53/53/640255353.db2.gz CERAOXZKUQPFJK-LBPRGKRZSA-N 1 3 278.396 2.350 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843052484 640256657 /nfs/dbraw/zinc/25/66/57/640256657.db2.gz UPLZZGXAVSBEBT-CJNGLKHVSA-N 1 3 261.413 2.230 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@](C)(C[NH3+])C1 ZINC000843113993 640285634 /nfs/dbraw/zinc/28/56/34/640285634.db2.gz FFWARKBJCWQSNK-MRXNPFEDSA-N 1 3 261.413 2.232 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c([O-])c1 ZINC000843129871 640296547 /nfs/dbraw/zinc/29/65/47/640296547.db2.gz SHIIGFHECYENIL-QWRGUYRKSA-N 1 3 252.358 2.006 20 10 CECDHO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1[O-] ZINC000850500085 642734227 /nfs/dbraw/zinc/73/42/27/642734227.db2.gz COKDJGZNNXUNAC-LSDHHAIUSA-N 1 3 293.455 2.315 20 10 CECDHO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C)C2)c1O ZINC000872725541 649469764 /nfs/dbraw/zinc/46/97/64/649469764.db2.gz UDNYXLWWAJTPSP-UKRRQHHQSA-N 1 3 290.407 2.235 20 10 CECDHO COc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCN3C)C2)c1O ZINC000872725541 649469768 /nfs/dbraw/zinc/46/97/68/649469768.db2.gz UDNYXLWWAJTPSP-UKRRQHHQSA-N 1 3 290.407 2.235 20 10 CECDHO Cc1ccc(O)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709827331 809972054 /nfs/dbraw/zinc/97/20/54/809972054.db2.gz JUVUGYGSDQHRQL-INIZCTEOSA-N 1 3 260.381 2.276 20 10 CECDHO CC[NH+](CC)CC[C@H](C)NCCc1cc(O)c(O)cc1O ZINC001255946203 814026744 /nfs/dbraw/zinc/02/67/44/814026744.db2.gz SCAWNFCTKVVQCW-LBPRGKRZSA-N 1 3 296.411 2.056 20 10 CECDHO CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C)cc1[O-] ZINC000794814586 629327923 /nfs/dbraw/zinc/32/79/23/629327923.db2.gz MEKBXEWYWLCNSW-OAHLLOKOSA-N 1 3 280.412 2.320 20 10 CECDHO C[C@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163436876 631575206 /nfs/dbraw/zinc/57/52/06/631575206.db2.gz YVVYBSYCBBGLND-ZFWWWQNUSA-N 1 3 261.413 2.169 20 10 CECDHO [O-]c1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc2ccccc21 ZINC000816522373 633407644 /nfs/dbraw/zinc/40/76/44/633407644.db2.gz WCDHJCHOOZGXMI-HUUCEWRRSA-N 1 3 268.360 2.197 20 10 CECDHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817891452 633752685 /nfs/dbraw/zinc/75/26/85/633752685.db2.gz KLWQLXVBCOAMGD-ZNMIVQPWSA-N 1 3 291.439 2.300 20 10 CECDHO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817955522 633799693 /nfs/dbraw/zinc/79/96/93/633799693.db2.gz XXENGAUMTSPKMV-WDEREUQCSA-N 1 3 252.333 2.182 20 10 CECDHO COc1ccc(O)c([C@@H](C)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000817959149 633800503 /nfs/dbraw/zinc/80/05/03/633800503.db2.gz PTWPTJPZAROCHO-VXGBXAGGSA-N 1 3 266.385 2.425 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000817970848 633813854 /nfs/dbraw/zinc/81/38/54/633813854.db2.gz GFJAMLSQVWPGJY-SUNKGSAMSA-N 1 3 264.369 2.049 20 10 CECDHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980728 633822844 /nfs/dbraw/zinc/82/28/44/633822844.db2.gz WQAGZPJWMHTIJS-TZMCWYRMSA-N 1 3 295.402 2.050 20 10 CECDHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[O-] ZINC000817987075 633827944 /nfs/dbraw/zinc/82/79/44/633827944.db2.gz PSMWJLOSEOHKEF-RFQIPJPRSA-N 1 3 260.381 2.431 20 10 CECDHO C[N@@H+](Cc1ccccc1[O-])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903886963 635327326 /nfs/dbraw/zinc/32/73/26/635327326.db2.gz WWAWQUZAIDZQDQ-LQDVMPOASA-N 1 3 260.381 2.355 20 10 CECDHO C[N@H+](Cc1ccccc1[O-])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903886963 635327332 /nfs/dbraw/zinc/32/73/32/635327332.db2.gz WWAWQUZAIDZQDQ-LQDVMPOASA-N 1 3 260.381 2.355 20 10 CECDHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904386024 635608226 /nfs/dbraw/zinc/60/82/26/635608226.db2.gz NANWYOZZGLKGKP-CQSZACIVSA-N 1 3 296.361 2.346 20 10 CECDHO Oc1ccc(F)cc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088527 637696652 /nfs/dbraw/zinc/69/66/52/637696652.db2.gz YWKVVVPXWFGMFB-SWLSCSKDSA-N 1 3 278.371 2.495 20 10 CECDHO Cc1ccc(O)c(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089344 637709790 /nfs/dbraw/zinc/70/97/90/637709790.db2.gz LSRRSKGCXFBFHZ-CQSZACIVSA-N 1 3 260.381 2.465 20 10 CECDHO CN(C)c1ccc(/C=C/C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000835055176 638040575 /nfs/dbraw/zinc/04/05/75/638040575.db2.gz WFFIVMFQOVURJY-PSUYNTKASA-N 1 3 285.435 2.259 20 10 CECDHO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000835055176 638040578 /nfs/dbraw/zinc/04/05/78/638040578.db2.gz WFFIVMFQOVURJY-PSUYNTKASA-N 1 3 285.435 2.259 20 10 CECDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000877042036 650544483 /nfs/dbraw/zinc/54/44/83/650544483.db2.gz RXBUACGGMCPPKA-HNNXBMFYSA-N 1 3 292.423 2.027 20 10 CECDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000877042036 650544486 /nfs/dbraw/zinc/54/44/86/650544486.db2.gz RXBUACGGMCPPKA-HNNXBMFYSA-N 1 3 292.423 2.027 20 10 CECDHO CCOc1ccc(O)c(CN2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000843053621 640256731 /nfs/dbraw/zinc/25/67/31/640256731.db2.gz OXNQUOXCSBFAHT-DOMZBBRYSA-N 1 3 278.396 2.350 20 10 CECDHO Cc1cc(CN(C)CC(C)(C)C[NH3+])ccc1N(C)C ZINC000923294802 643646238 /nfs/dbraw/zinc/64/62/38/643646238.db2.gz QBJWSPNCEJLOJF-UHFFFAOYSA-N 1 3 263.429 2.478 20 10 CECDHO COc1cc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c(O)cc1C ZINC000768444723 646123706 /nfs/dbraw/zinc/12/37/06/646123706.db2.gz BQJSRIWWOBJDFB-ZDUSSCGKSA-N 1 3 278.396 2.093 20 10 CECDHO COc1cc(C[N@H+]2CC[C@@H](CN(C)C)C2)c(O)cc1C ZINC000768444723 646123709 /nfs/dbraw/zinc/12/37/09/646123709.db2.gz BQJSRIWWOBJDFB-ZDUSSCGKSA-N 1 3 278.396 2.093 20 10 CECDHO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1[O-] ZINC000873293113 649630205 /nfs/dbraw/zinc/63/02/05/649630205.db2.gz XZHPTTMJNWCRHS-KGLIPLIRSA-N 1 3 290.407 2.202 20 10 CECDHO Cc1cc(CN2CCC[C@@H]([NH3+])CC2)ccc1N(C)C ZINC001205101728 807633350 /nfs/dbraw/zinc/63/33/50/807633350.db2.gz JZNXTZCPODIZCR-OAHLLOKOSA-N 1 3 261.413 2.374 20 10 CECDHO COc1cc(CN2CCCC2)cc(C[NH+](C)C)c1O ZINC001139253511 815997261 /nfs/dbraw/zinc/99/72/61/815997261.db2.gz WJORSHFURLJKII-UHFFFAOYSA-N 1 3 264.369 2.058 20 10 CECDHO CC[N@H+](C)C[C@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000180550042 368386494 /nfs/dbraw/zinc/38/64/94/368386494.db2.gz TVGIUINRMFJJTQ-CQSZACIVSA-N 1 3 262.397 2.474 20 10 CECDHO CC[N@@H+](C)C[C@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000180550042 368386501 /nfs/dbraw/zinc/38/65/01/368386501.db2.gz TVGIUINRMFJJTQ-CQSZACIVSA-N 1 3 262.397 2.474 20 10 CECDHO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000841103872 629128791 /nfs/dbraw/zinc/12/87/91/629128791.db2.gz LMWPGFOOTLPAJI-WBVHZDCISA-N 1 3 290.407 2.111 20 10 CECDHO Cc1cccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843122319 631734485 /nfs/dbraw/zinc/73/44/85/631734485.db2.gz BCMBNHKKAOBEDB-INIZCTEOSA-N 1 3 260.381 2.276 20 10 CECDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000817901935 633763065 /nfs/dbraw/zinc/76/30/65/633763065.db2.gz ZUUOWWDEFXQYFE-MNOVXSKESA-N 1 3 253.365 2.107 20 10 CECDHO COc1ccc(O)c([C@@H](C)NC[C@H]2CCC[NH2+]C2)c1 ZINC000817946127 633794054 /nfs/dbraw/zinc/79/40/54/633794054.db2.gz RZMKOSFYZXUJIB-NEPJUHHUSA-N 1 3 264.369 2.051 20 10 CECDHO CCOc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c([O-])c1 ZINC000903974450 635392992 /nfs/dbraw/zinc/39/29/92/635392992.db2.gz NCLHLSQMVSYOGN-CHWSQXEVSA-N 1 3 278.396 2.126 20 10 CECDHO COc1ccc(O)c(C[NH2+]CC2(N)CCCCC2)c1 ZINC000841039285 639629550 /nfs/dbraw/zinc/62/95/50/639629550.db2.gz ISYYBDQVBUUFKW-UHFFFAOYSA-N 1 3 264.369 2.152 20 10 CECDHO CCOCc1cc(CN[C@H](C)CC[NH3+])ccc1OC ZINC000841051968 639633739 /nfs/dbraw/zinc/63/37/39/639633739.db2.gz SRHJJLTULHQEQE-GFCCVEGCSA-N 1 3 266.385 2.059 20 10 CECDHO CCOc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1[O-] ZINC000070169571 641640243 /nfs/dbraw/zinc/64/02/43/641640243.db2.gz ADZOBZDLSFJCRC-ZDUSSCGKSA-N 1 3 278.396 2.352 20 10 CECDHO CCOc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1[O-] ZINC000070169571 641640245 /nfs/dbraw/zinc/64/02/45/641640245.db2.gz ADZOBZDLSFJCRC-ZDUSSCGKSA-N 1 3 278.396 2.352 20 10 CECDHO Cc1ccc(O)c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000071409451 641762839 /nfs/dbraw/zinc/76/28/39/641762839.db2.gz ITBUTJWJVXMLJN-YIONKMFJSA-N 1 3 260.381 2.415 20 10 CECDHO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000839183194 644182487 /nfs/dbraw/zinc/18/24/87/644182487.db2.gz UTANGRJFQSMAQC-LBPRGKRZSA-N 1 3 266.360 2.353 20 10 CECDHO C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000839183194 644182488 /nfs/dbraw/zinc/18/24/88/644182488.db2.gz UTANGRJFQSMAQC-LBPRGKRZSA-N 1 3 266.360 2.353 20 10 CECDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CNCCCO1 ZINC001118122138 814985680 /nfs/dbraw/zinc/98/56/80/814985680.db2.gz PUSYVMWWCQJUSB-HZSPNIEDSA-N 1 3 290.407 2.217 20 10 CECDHO CCOc1ccc(CN2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205124202 807718853 /nfs/dbraw/zinc/71/88/53/807718853.db2.gz LJFGVBCGOZZSOO-CYBMUJFWSA-N 1 3 264.369 2.104 20 10 CECDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001169090162 811382589 /nfs/dbraw/zinc/38/25/89/811382589.db2.gz HYKDXXSLSFBOJH-MUJYYYPQSA-N 1 3 272.392 2.336 20 10 CECDHO COc1cc(CN2CC[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255599 815997274 /nfs/dbraw/zinc/99/72/74/815997274.db2.gz PLVVKDMVJMSFCV-GFCCVEGCSA-N 1 3 278.396 2.304 20 10 CECDHO CCN1C[C@H]2C[NH+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139674119 816078060 /nfs/dbraw/zinc/07/80/60/816078060.db2.gz OHIXYTLCZAFAHH-IRXDYDNUSA-N 1 3 287.451 2.445 20 10 CECDHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2c1c(F)ccc2[O-] ZINC000902484173 634700878 /nfs/dbraw/zinc/70/08/78/634700878.db2.gz FEPMMTPYZONUNW-DNRKLUKYSA-N 1 3 264.344 2.407 20 10 CECDHO C[C@H](C[C@H](C)[NH3+])NC/C=C\c1ccc(N(C)C)cc1 ZINC000843130005 631772816 /nfs/dbraw/zinc/77/28/16/631772816.db2.gz WNEMXVPWYQUVQB-MEWZEZIVSA-N 1 3 261.413 2.481 20 10 CECDHO CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC[NH2+]CC1 ZINC000817965252 633806576 /nfs/dbraw/zinc/80/65/76/633806576.db2.gz RZDPPBZHABRWCW-ZDUSSCGKSA-N 1 3 260.381 2.359 20 10 CECDHO COc1ccc(O)c([C@@H](C)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000817969017 633811503 /nfs/dbraw/zinc/81/15/03/633811503.db2.gz PJNLQUAAIFCMHR-VXGBXAGGSA-N 1 3 264.369 2.194 20 10 CECDHO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817985450 633828395 /nfs/dbraw/zinc/82/83/95/633828395.db2.gz KDZTXUMEKWIMCS-LLVKDONJSA-N 1 3 264.344 2.492 20 10 CECDHO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([O-])c1 ZINC000903977098 635394679 /nfs/dbraw/zinc/39/46/79/635394679.db2.gz IWGRCLCICPPMNR-CHWSQXEVSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([O-])c1 ZINC000903977098 635394686 /nfs/dbraw/zinc/39/46/86/635394686.db2.gz IWGRCLCICPPMNR-CHWSQXEVSA-N 1 3 278.396 2.208 20 10 CECDHO C[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000229103337 639676694 /nfs/dbraw/zinc/67/66/94/639676694.db2.gz ZRCIETQYSVLFQT-UHFFFAOYSA-N 1 3 298.814 2.486 20 10 CECDHO C[C@H]([NH3+])[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843057360 640259678 /nfs/dbraw/zinc/25/96/78/640259678.db2.gz JFMDCUYRDWUUIP-YMEQAZQUSA-N 1 3 273.424 2.435 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1[O-] ZINC000843129892 640296649 /nfs/dbraw/zinc/29/66/49/640296649.db2.gz SRXJBXQYGXYVLA-IUCAKERBSA-N 1 3 272.776 2.270 20 10 CECDHO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)ccc1[O-] ZINC000844921424 640866520 /nfs/dbraw/zinc/86/65/20/640866520.db2.gz IVSCSRZFELMSLK-JTQLQIEISA-N 1 3 252.333 2.311 20 10 CECDHO CN(C)c1ccc(/C=C\CNCCC[NH+]2CCC2)cc1 ZINC000848543564 642044352 /nfs/dbraw/zinc/04/43/52/642044352.db2.gz HEMUNGNKHVFUNW-UTCJRWHESA-N 1 3 273.424 2.451 20 10 CECDHO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CN(C)C ZINC000922140916 642902610 /nfs/dbraw/zinc/90/26/10/642902610.db2.gz UQHYZZDDHBDVEG-ZDUSSCGKSA-N 1 3 262.397 2.299 20 10 CECDHO CCOc1cccc(CN2CC[C@H]([NH3+])[C@H](CC)C2)c1O ZINC000122251241 648225644 /nfs/dbraw/zinc/22/56/44/648225644.db2.gz SUISXPROUVYUGS-OCCSQVGLSA-N 1 3 278.396 2.350 20 10 CECDHO COc1cccc(CN(C)CC[C@H]([NH3+])C(C)C)c1O ZINC000133338570 652621444 /nfs/dbraw/zinc/62/14/44/652621444.db2.gz MUJPZSWHKQUZNB-ZDUSSCGKSA-N 1 3 266.385 2.206 20 10 CECDHO Cc1cc(F)cc(CN2CC3(C2)CC[NH+](C)CC3)c1O ZINC001238069440 808294549 /nfs/dbraw/zinc/29/45/49/808294549.db2.gz IPKWCACQBRAPFF-UHFFFAOYSA-N 1 3 278.371 2.367 20 10 CECDHO CC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)C1CC1 ZINC001139253519 815997054 /nfs/dbraw/zinc/99/70/54/815997054.db2.gz WWAMQKRPACTSLR-UHFFFAOYSA-N 1 3 278.396 2.447 20 10 CECDHO CC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)C1CC1 ZINC001139253519 815997059 /nfs/dbraw/zinc/99/70/59/815997059.db2.gz WWAMQKRPACTSLR-UHFFFAOYSA-N 1 3 278.396 2.447 20 10 CECDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183548591 395259268 /nfs/dbraw/zinc/25/92/68/395259268.db2.gz PHUWVXPGMQQKDJ-UONOGXRCSA-N 1 3 280.412 2.400 20 10 CECDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccccc1O ZINC000374890902 267820917 /nfs/dbraw/zinc/82/09/17/267820917.db2.gz FEXGDYVJEXMTIW-INMHGKMJSA-N 1 3 290.407 2.076 20 10 CECDHO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000841103871 629128643 /nfs/dbraw/zinc/12/86/43/629128643.db2.gz LMWPGFOOTLPAJI-RDJZCZTQSA-N 1 3 290.407 2.111 20 10 CECDHO COc1ccc(O)c(CN[C@H](C[NH3+])C2CCCCC2)c1 ZINC000841039650 632203239 /nfs/dbraw/zinc/20/32/39/632203239.db2.gz XZVYOLUHYWGGFF-OAHLLOKOSA-N 1 3 278.396 2.398 20 10 CECDHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817901283 633761117 /nfs/dbraw/zinc/76/11/17/633761117.db2.gz AQKZOKVDZOIHIH-LSDHHAIUSA-N 1 3 260.381 2.371 20 10 CECDHO CCOc1cccc(CN[C@@H](C[NH3+])CC(C)C)c1O ZINC000841038272 639628533 /nfs/dbraw/zinc/62/85/33/639628533.db2.gz IKTHNPNHKPFZAY-CYBMUJFWSA-N 1 3 266.385 2.254 20 10 CECDHO CCOc1ccc(O)c(CN2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000843053622 640256447 /nfs/dbraw/zinc/25/64/47/640256447.db2.gz OXNQUOXCSBFAHT-IUODEOHRSA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([O-])c1 ZINC000843059726 640262759 /nfs/dbraw/zinc/26/27/59/640262759.db2.gz RBAODYCQKLEMRJ-RCBQFDQVSA-N 1 3 290.407 2.350 20 10 CECDHO CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([O-])c1 ZINC000843059726 640262761 /nfs/dbraw/zinc/26/27/61/640262761.db2.gz RBAODYCQKLEMRJ-RCBQFDQVSA-N 1 3 290.407 2.350 20 10 CECDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843125931 640292074 /nfs/dbraw/zinc/29/20/74/640292074.db2.gz CRRVYEZPXMOCQD-CQSZACIVSA-N 1 3 290.407 2.222 20 10 CECDHO Cc1cc(CN2CCC[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923281602 643636802 /nfs/dbraw/zinc/63/68/02/643636802.db2.gz QEBBIOFLTTWMGO-HNNXBMFYSA-N 1 3 261.413 2.232 20 10 CECDHO Cc1cc(N(C)C)ccc1CN[C@H](C)CC[NH+](C)C ZINC000768691113 646154365 /nfs/dbraw/zinc/15/43/65/646154365.db2.gz PMUSMATVCKSKGK-CQSZACIVSA-N 1 3 263.429 2.491 20 10 CECDHO CCN(CC)c1ccc(C[NH2+]CC2(N)CCOCC2)cc1 ZINC000863482328 646739383 /nfs/dbraw/zinc/73/93/83/646739383.db2.gz YKKDVXCMYIRZAZ-UHFFFAOYSA-N 1 3 291.439 2.130 20 10 CECDHO C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1[O-] ZINC000783504297 647722499 /nfs/dbraw/zinc/72/24/99/647722499.db2.gz WYTKYOKTKQKTJY-HNNXBMFYSA-N 1 3 291.439 2.070 20 10 CECDHO [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000873239199 649605248 /nfs/dbraw/zinc/60/52/48/649605248.db2.gz PKLGUJZPILAVNY-MRVWCRGKSA-N 1 3 260.381 2.487 20 10 CECDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@](F)(CN)C2)c(O)c1 ZINC001206360743 816824712 /nfs/dbraw/zinc/82/47/12/816824712.db2.gz AIGLDYLORCNPLR-INIZCTEOSA-N 1 3 295.402 2.111 20 10 CECDHO CN(C)c1ccc(C[N@H+]2CCCC[C@](F)(CN)C2)c(O)c1 ZINC001206360743 816824718 /nfs/dbraw/zinc/82/47/18/816824718.db2.gz AIGLDYLORCNPLR-INIZCTEOSA-N 1 3 295.402 2.111 20 10 CECDHO C[C@@H](NCC1([NH3+])CC1)c1cc2c(cc1O)CCCC2 ZINC000902407830 634622775 /nfs/dbraw/zinc/62/27/75/634622775.db2.gz VQJZJHGWOHKFOI-LLVKDONJSA-N 1 3 260.381 2.413 20 10 CECDHO [O-]c1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197550 628925714 /nfs/dbraw/zinc/92/57/14/628925714.db2.gz KNNOHNKUBAIGKT-OAHLLOKOSA-N 1 3 260.381 2.356 20 10 CECDHO COc1ccc(O)c(CN[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000841039649 632203177 /nfs/dbraw/zinc/20/31/77/632203177.db2.gz XZVYOLUHYWGGFF-HNNXBMFYSA-N 1 3 278.396 2.398 20 10 CECDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897883 633759575 /nfs/dbraw/zinc/75/95/75/633759575.db2.gz CXUXBGIUCJHDMD-HOTGVXAUSA-N 1 3 259.397 2.256 20 10 CECDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000817901933 633762409 /nfs/dbraw/zinc/76/24/09/633762409.db2.gz ZUUOWWDEFXQYFE-GHMZBOCLSA-N 1 3 253.365 2.107 20 10 CECDHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946159 633793814 /nfs/dbraw/zinc/79/38/14/633793814.db2.gz SRKYJKAKMOZYEQ-KBPBESRZSA-N 1 3 261.413 2.403 20 10 CECDHO COCC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC[NH2+]CC1 ZINC000817974443 633817554 /nfs/dbraw/zinc/81/75/54/633817554.db2.gz LYOSKEXBUPEAPE-AWEZNQCLSA-N 1 3 292.423 2.367 20 10 CECDHO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1F ZINC000818431946 633920812 /nfs/dbraw/zinc/92/08/12/633920812.db2.gz XIGZWOFDGFGETL-ZIAGYGMSSA-N 1 3 265.376 2.251 20 10 CECDHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841029058 639621695 /nfs/dbraw/zinc/62/16/95/639621695.db2.gz FCLNWCCFORSUBK-LSDHHAIUSA-N 1 3 260.381 2.229 20 10 CECDHO Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1[O-] ZINC000841037068 639628895 /nfs/dbraw/zinc/62/88/95/639628895.db2.gz SDMPKGPVZSGMPZ-LLVKDONJSA-N 1 3 268.788 2.443 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c([O-])c1 ZINC000841054629 639634292 /nfs/dbraw/zinc/63/42/92/639634292.db2.gz FVRRXICRXYJECQ-QWHCGFSZSA-N 1 3 264.369 2.150 20 10 CECDHO CCOc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c([O-])c1 ZINC000841073790 639645101 /nfs/dbraw/zinc/64/51/01/639645101.db2.gz YNDSEMREAACRRW-AWEZNQCLSA-N 1 3 278.396 2.413 20 10 CECDHO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1F ZINC000841077039 639646873 /nfs/dbraw/zinc/64/68/73/639646873.db2.gz XBRVJCXYOSSZTQ-RYUDHWBXSA-N 1 3 267.392 2.497 20 10 CECDHO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000841100093 639658850 /nfs/dbraw/zinc/65/88/50/639658850.db2.gz UKZHDDCFTGYOLX-RDJZCZTQSA-N 1 3 290.407 2.111 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3[O-])CC2)C1 ZINC000841103870 639673296 /nfs/dbraw/zinc/67/32/96/639673296.db2.gz LMWPGFOOTLPAJI-NVXWUHKLSA-N 1 3 290.407 2.111 20 10 CECDHO Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000877041943 650544124 /nfs/dbraw/zinc/54/41/24/650544124.db2.gz PLIGVHCAFHTXRT-INIZCTEOSA-N 1 3 292.423 2.027 20 10 CECDHO Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000877041943 650544130 /nfs/dbraw/zinc/54/41/30/650544130.db2.gz PLIGVHCAFHTXRT-INIZCTEOSA-N 1 3 292.423 2.027 20 10 CECDHO CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([O-])c1 ZINC000843059724 640262708 /nfs/dbraw/zinc/26/27/08/640262708.db2.gz RBAODYCQKLEMRJ-APHBMKBZSA-N 1 3 290.407 2.350 20 10 CECDHO CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([O-])c1 ZINC000843059724 640262712 /nfs/dbraw/zinc/26/27/12/640262712.db2.gz RBAODYCQKLEMRJ-APHBMKBZSA-N 1 3 290.407 2.350 20 10 CECDHO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877157828 650601837 /nfs/dbraw/zinc/60/18/37/650601837.db2.gz CZJAJAHSFRRDBU-CQSZACIVSA-N 1 3 280.412 2.147 20 10 CECDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000844901452 640859982 /nfs/dbraw/zinc/85/99/82/640859982.db2.gz FMAFIBLZPQYUFG-UXLLHSPISA-N 1 3 290.407 2.111 20 10 CECDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000844901452 640859985 /nfs/dbraw/zinc/85/99/85/640859985.db2.gz FMAFIBLZPQYUFG-UXLLHSPISA-N 1 3 290.407 2.111 20 10 CECDHO COCC[N@@H+](Cc1ccccc1[O-])CC1CC[NH+](C)CC1 ZINC000877665002 650840671 /nfs/dbraw/zinc/84/06/71/650840671.db2.gz BTKVIXZUIXTKPN-UHFFFAOYSA-N 1 3 292.423 2.182 20 10 CECDHO COCC[N@H+](Cc1ccccc1[O-])CC1CC[NH+](C)CC1 ZINC000877665002 650840673 /nfs/dbraw/zinc/84/06/73/650840673.db2.gz BTKVIXZUIXTKPN-UHFFFAOYSA-N 1 3 292.423 2.182 20 10 CECDHO Cc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC001140948489 803621588 /nfs/dbraw/zinc/62/15/88/803621588.db2.gz JYWUZWACKZOQNV-UHFFFAOYSA-N 1 3 283.375 2.418 20 10 CECDHO CC[NH+](CC)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139253347 815997144 /nfs/dbraw/zinc/99/71/44/815997144.db2.gz RQLSCNYCVHEZQS-UHFFFAOYSA-N 1 3 266.385 2.304 20 10 CECDHO Cc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1[O-] ZINC000271856062 373204360 /nfs/dbraw/zinc/20/43/60/373204360.db2.gz UVFMVAQWBVUJMO-UHFFFAOYSA-N 1 3 292.423 2.026 20 10 CECDHO COc1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293755514 395251062 /nfs/dbraw/zinc/25/10/62/395251062.db2.gz XFDQALNCKWZELT-QGZVFWFLSA-N 1 3 290.407 2.319 20 10 CECDHO COc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293755514 395251064 /nfs/dbraw/zinc/25/10/64/395251064.db2.gz XFDQALNCKWZELT-QGZVFWFLSA-N 1 3 290.407 2.319 20 10 CECDHO C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925790562 628835356 /nfs/dbraw/zinc/83/53/56/628835356.db2.gz ISWPUUKSPNCHEI-NFAWXSAZSA-N 1 3 261.413 2.259 20 10 CECDHO Cc1cc(O)c(CNC[C@]2(C)CCC[NH2+]C2)cc1C ZINC000841057384 632359517 /nfs/dbraw/zinc/35/95/17/632359517.db2.gz MEJJCZXKAHCMED-MRXNPFEDSA-N 1 3 262.397 2.488 20 10 CECDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000817901701 633763116 /nfs/dbraw/zinc/76/31/16/633763116.db2.gz XBUSXGJDFGHRBE-OLZOCXBDSA-N 1 3 261.413 2.284 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000817959147 633801283 /nfs/dbraw/zinc/80/12/83/633801283.db2.gz PTWPTJPZAROCHO-NWDGAFQWSA-N 1 3 266.385 2.425 20 10 CECDHO [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000817977001 633819889 /nfs/dbraw/zinc/81/98/89/633819889.db2.gz YXYNFEIIYAKSID-JSGCOSHPSA-N 1 3 258.365 2.111 20 10 CECDHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000904355635 635587774 /nfs/dbraw/zinc/58/77/74/635587774.db2.gz PXCUKVVLEFAQAP-HUUCEWRRSA-N 1 3 260.381 2.371 20 10 CECDHO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000904411638 635619367 /nfs/dbraw/zinc/61/93/67/635619367.db2.gz ONWKCBXXRSDYTD-MNOVXSKESA-N 1 3 298.814 2.471 20 10 CECDHO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000904411638 635619369 /nfs/dbraw/zinc/61/93/69/635619369.db2.gz ONWKCBXXRSDYTD-MNOVXSKESA-N 1 3 298.814 2.471 20 10 CECDHO CCOc1ccc(O)c(CN[C@H](C[NH3+])C2CCCC2)c1 ZINC000841085628 637368061 /nfs/dbraw/zinc/36/80/61/637368061.db2.gz AACMKWOTOASZAK-OAHLLOKOSA-N 1 3 278.396 2.398 20 10 CECDHO COc1ccc(O)c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841085704 637394007 /nfs/dbraw/zinc/39/40/07/637394007.db2.gz BCCSQKGMBLNCIT-CJNGLKHVSA-N 1 3 290.407 2.365 20 10 CECDHO Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876940377 650497002 /nfs/dbraw/zinc/49/70/02/650497002.db2.gz SFBCEJXPTXVOBU-LSDHHAIUSA-N 1 3 260.381 2.417 20 10 CECDHO Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876940377 650497004 /nfs/dbraw/zinc/49/70/04/650497004.db2.gz SFBCEJXPTXVOBU-LSDHHAIUSA-N 1 3 260.381 2.417 20 10 CECDHO [O-]c1ccc(F)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841071748 639642461 /nfs/dbraw/zinc/64/24/61/639642461.db2.gz ALEYFPLJYDCIQN-CYBMUJFWSA-N 1 3 252.333 2.153 20 10 CECDHO CCOc1ccc(C[NH2+][C@H](C)CCC[NH3+])c([O-])c1 ZINC000841078382 639647406 /nfs/dbraw/zinc/64/74/06/639647406.db2.gz CEPNAIQQRWCPCW-LLVKDONJSA-N 1 3 252.358 2.008 20 10 CECDHO CCOc1ccc(O)c(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000841100810 639659615 /nfs/dbraw/zinc/65/96/15/639659615.db2.gz KPQKJDHVXKXCBT-GXTWGEPZSA-N 1 3 278.396 2.208 20 10 CECDHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191472 639837992 /nfs/dbraw/zinc/83/79/92/639837992.db2.gz SRSSVXUOTVFAAC-XJKSGUPXSA-N 1 3 261.413 2.454 20 10 CECDHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191472 639838002 /nfs/dbraw/zinc/83/80/02/639838002.db2.gz SRSSVXUOTVFAAC-XJKSGUPXSA-N 1 3 261.413 2.454 20 10 CECDHO C[C@@H]1C[C@H](C[NH3+])CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843058700 640261246 /nfs/dbraw/zinc/26/12/46/640261246.db2.gz WHAMBXSFODACND-RCELQXLSSA-N 1 3 273.424 2.435 20 10 CECDHO CCOCc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000843129882 640296480 /nfs/dbraw/zinc/29/64/80/640296480.db2.gz SRPOCXLNAKUPHH-OLZOCXBDSA-N 1 3 280.412 2.447 20 10 CECDHO CCOCc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000843129881 640296605 /nfs/dbraw/zinc/29/66/05/640296605.db2.gz SRPOCXLNAKUPHH-CHWSQXEVSA-N 1 3 280.412 2.447 20 10 CECDHO C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)ccc1[O-] ZINC000844921425 640866319 /nfs/dbraw/zinc/86/63/19/640866319.db2.gz IVSCSRZFELMSLK-SNVBAGLBSA-N 1 3 252.333 2.311 20 10 CECDHO Cc1cc(CN2CC[C@](C)(C[NH3+])C2)ccc1N(C)C ZINC000923356839 643679306 /nfs/dbraw/zinc/67/93/06/643679306.db2.gz VBOYIOGMZJXBEH-MRXNPFEDSA-N 1 3 261.413 2.232 20 10 CECDHO COc1ccc(O)c(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858137162 645071233 /nfs/dbraw/zinc/07/12/33/645071233.db2.gz HXMJMCUWKAFDPJ-CYBMUJFWSA-N 1 3 278.396 2.363 20 10 CECDHO COc1ccc(O)c(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858137162 645071240 /nfs/dbraw/zinc/07/12/40/645071240.db2.gz HXMJMCUWKAFDPJ-CYBMUJFWSA-N 1 3 278.396 2.363 20 10 CECDHO COc1cccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1O ZINC000862367503 646418249 /nfs/dbraw/zinc/41/82/49/646418249.db2.gz KXKGNLAZHGTMKT-ZDUSSCGKSA-N 1 3 278.396 2.363 20 10 CECDHO COc1cccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000862367503 646418254 /nfs/dbraw/zinc/41/82/54/646418254.db2.gz KXKGNLAZHGTMKT-ZDUSSCGKSA-N 1 3 278.396 2.363 20 10 CECDHO CN1CCCc2cc(CN3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc21 ZINC001206163352 815348895 /nfs/dbraw/zinc/34/88/95/815348895.db2.gz BUPFADBAAHPETF-CVEARBPZSA-N 1 3 291.414 2.330 20 10 CECDHO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1[O-] ZINC000723890126 811032263 /nfs/dbraw/zinc/03/22/63/811032263.db2.gz BVNGPUXVJRDPBB-GHMZBOCLSA-N 1 3 298.814 2.471 20 10 CECDHO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1[O-] ZINC000723890126 811032272 /nfs/dbraw/zinc/03/22/72/811032272.db2.gz BVNGPUXVJRDPBB-GHMZBOCLSA-N 1 3 298.814 2.471 20 10 CECDHO COc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000217915635 394456311 /nfs/dbraw/zinc/45/63/11/394456311.db2.gz ZRYRIZJAVFJRRV-DZGCQCFKSA-N 1 3 290.407 2.317 20 10 CECDHO COc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000217915635 394456312 /nfs/dbraw/zinc/45/63/12/394456312.db2.gz ZRYRIZJAVFJRRV-DZGCQCFKSA-N 1 3 290.407 2.317 20 10 CECDHO CCOc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1O ZINC000037649324 521366190 /nfs/dbraw/zinc/36/61/90/521366190.db2.gz OCMRKSZEMBIPKD-CYBMUJFWSA-N 1 3 290.407 2.365 20 10 CECDHO CCOc1cccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000163425693 631565298 /nfs/dbraw/zinc/56/52/98/631565298.db2.gz ITNQKEFDCZLQGI-TZMCWYRMSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(O)c(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000841033735 631832616 /nfs/dbraw/zinc/83/26/16/631832616.db2.gz VEPZQUCIUWJKCM-STQMWFEESA-N 1 3 278.396 2.269 20 10 CECDHO C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1CCC[NH2+]C1 ZINC000817947502 633793548 /nfs/dbraw/zinc/79/35/48/633793548.db2.gz OTMHCDQAECZQQF-IACUBPJLSA-N 1 3 260.381 2.357 20 10 CECDHO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1[O-] ZINC000817987076 633828272 /nfs/dbraw/zinc/82/82/72/633828272.db2.gz PSMWJLOSEOHKEF-XDQVBPFNSA-N 1 3 260.381 2.431 20 10 CECDHO Oc1ccc(F)cc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088526 637696506 /nfs/dbraw/zinc/69/65/06/637696506.db2.gz YWKVVVPXWFGMFB-IUODEOHRSA-N 1 3 278.371 2.495 20 10 CECDHO Cc1cccc(O)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876940794 650497231 /nfs/dbraw/zinc/49/72/31/650497231.db2.gz XTQMKNTZOYPKSY-KGLIPLIRSA-N 1 3 260.381 2.417 20 10 CECDHO Cc1cccc(O)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876940794 650497233 /nfs/dbraw/zinc/49/72/33/650497233.db2.gz XTQMKNTZOYPKSY-KGLIPLIRSA-N 1 3 260.381 2.417 20 10 CECDHO [O-]c1ccc(F)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841071749 639642128 /nfs/dbraw/zinc/64/21/28/639642128.db2.gz ALEYFPLJYDCIQN-ZDUSSCGKSA-N 1 3 252.333 2.153 20 10 CECDHO COc1cccc(CN[C@H](C[NH3+])C2CCCC2)c1O ZINC000841088248 639652128 /nfs/dbraw/zinc/65/21/28/639652128.db2.gz UCRUNMQTEGEQKX-CYBMUJFWSA-N 1 3 264.369 2.008 20 10 CECDHO C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1CC[NH3+] ZINC000844902559 640860307 /nfs/dbraw/zinc/86/03/07/640860307.db2.gz QPALCNXJJMNRJU-WCQYABFASA-N 1 3 292.379 2.070 20 10 CECDHO CN(C)c1ccc(/C=C/CNCCC[NH+]2CCC2)cc1 ZINC000848543568 642044833 /nfs/dbraw/zinc/04/48/33/642044833.db2.gz HEMUNGNKHVFUNW-ZZXKWVIFSA-N 1 3 273.424 2.451 20 10 CECDHO C[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000389143288 813247820 /nfs/dbraw/zinc/24/78/20/813247820.db2.gz SXGUCWDEFGMIIX-CQSZACIVSA-N 1 3 260.381 2.311 20 10 CECDHO CCN1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000037644588 361917946 /nfs/dbraw/zinc/91/79/46/361917946.db2.gz ODXMMIDLHJNNSD-HNNXBMFYSA-N 1 3 262.397 2.435 20 10 CECDHO COc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1C ZINC000271851386 373204197 /nfs/dbraw/zinc/20/41/97/373204197.db2.gz TVEVOEYMTDEZAN-UHFFFAOYSA-N 1 3 260.381 2.355 20 10 CECDHO COc1ccc([O-])c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227520944 394473284 /nfs/dbraw/zinc/47/32/84/394473284.db2.gz ZVMNEDGTLFHDJT-UHFFFAOYSA-N 1 3 278.396 2.222 20 10 CECDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183548575 395259096 /nfs/dbraw/zinc/25/90/96/395259096.db2.gz PHUWVXPGMQQKDJ-KBPBESRZSA-N 1 3 280.412 2.400 20 10 CECDHO C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000090720995 623544234 /nfs/dbraw/zinc/54/42/34/623544234.db2.gz PCOSUZSMJNLATG-DZGCQCFKSA-N 1 3 261.413 2.325 20 10 CECDHO C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000090720995 623544235 /nfs/dbraw/zinc/54/42/35/623544235.db2.gz PCOSUZSMJNLATG-DZGCQCFKSA-N 1 3 261.413 2.325 20 10 CECDHO CCN1CC[C@@H](C[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894190132 629197333 /nfs/dbraw/zinc/19/73/33/629197333.db2.gz JSBFTBRDTITEQY-ZDUSSCGKSA-N 1 3 278.396 2.141 20 10 CECDHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817891450 633753561 /nfs/dbraw/zinc/75/35/61/633753561.db2.gz KLWQLXVBCOAMGD-RRFJBIMHSA-N 1 3 291.439 2.300 20 10 CECDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N(C)C)c(F)c1 ZINC000817901939 633762378 /nfs/dbraw/zinc/76/23/78/633762378.db2.gz ZUUOWWDEFXQYFE-WDEREUQCSA-N 1 3 253.365 2.107 20 10 CECDHO COc1ccc(O)c([C@H](C)NCCC[NH2+]C(C)C)c1 ZINC000817952597 633797285 /nfs/dbraw/zinc/79/72/85/633797285.db2.gz GDPDUNVCVLNTMZ-LBPRGKRZSA-N 1 3 266.385 2.440 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000817985571 633828509 /nfs/dbraw/zinc/82/85/09/633828509.db2.gz FPCIBZVLIUYVMA-BYNSBNAKSA-N 1 3 272.392 2.357 20 10 CECDHO C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1[O-])CC[NH2+]CC2 ZINC000818431372 633921240 /nfs/dbraw/zinc/92/12/40/633921240.db2.gz KALVTDDDZMJWTD-GFCCVEGCSA-N 1 3 278.371 2.495 20 10 CECDHO C[C@@H]1CC2(C[N@H+]1Cc1cc(F)ccc1[O-])CC[NH2+]CC2 ZINC000818431372 633921246 /nfs/dbraw/zinc/92/12/46/633921246.db2.gz KALVTDDDZMJWTD-GFCCVEGCSA-N 1 3 278.371 2.495 20 10 CECDHO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903958014 635368429 /nfs/dbraw/zinc/36/84/29/635368429.db2.gz VPISYTBGHGJAMZ-AWEZNQCLSA-N 1 3 297.393 2.395 20 10 CECDHO COCC[N@H+](C)CCCNCc1ccc(N(C)C)cc1C ZINC000840929614 639589213 /nfs/dbraw/zinc/58/92/13/639589213.db2.gz SSWZNCKSRXLELV-UHFFFAOYSA-N 1 3 293.455 2.119 20 10 CECDHO COCC[N@@H+](C)CCCNCc1ccc(N(C)C)cc1C ZINC000840929614 639589218 /nfs/dbraw/zinc/58/92/18/639589218.db2.gz SSWZNCKSRXLELV-UHFFFAOYSA-N 1 3 293.455 2.119 20 10 CECDHO CCOc1ccc(O)c(CN[C@@H](C[NH3+])CC(C)C)c1 ZINC000841038210 639628947 /nfs/dbraw/zinc/62/89/47/639628947.db2.gz HFJCLLFBUVCORV-CYBMUJFWSA-N 1 3 266.385 2.254 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841071810 639643690 /nfs/dbraw/zinc/64/36/90/639643690.db2.gz BWXYCQQSAUUWGZ-GFCCVEGCSA-N 1 3 264.369 2.023 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]C2CCC([NH3+])CC2)c1[O-] ZINC000229051621 639674510 /nfs/dbraw/zinc/67/45/10/639674510.db2.gz VBSYLYZZWCEODZ-UHFFFAOYSA-N 1 3 284.787 2.414 20 10 CECDHO CCOc1ccc(O)c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843051477 640254350 /nfs/dbraw/zinc/25/43/50/640254350.db2.gz JEGYIHUOXRWQDR-QWHCGFSZSA-N 1 3 278.396 2.350 20 10 CECDHO C[N@H+](CCCCCC[NH3+])Cc1cc(F)ccc1[O-] ZINC000710750494 809991593 /nfs/dbraw/zinc/99/15/93/809991593.db2.gz LWKODACAVMVAMZ-UHFFFAOYSA-N 1 3 254.349 2.482 20 10 CECDHO C[N@@H+](CCCCCC[NH3+])Cc1cc(F)ccc1[O-] ZINC000710750494 809991597 /nfs/dbraw/zinc/99/15/97/809991597.db2.gz LWKODACAVMVAMZ-UHFFFAOYSA-N 1 3 254.349 2.482 20 10 CECDHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139674117 816077442 /nfs/dbraw/zinc/07/74/42/816077442.db2.gz OHIXYTLCZAFAHH-CALCHBBNSA-N 1 3 287.451 2.445 20 10 CECDHO CCN1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139674117 816077448 /nfs/dbraw/zinc/07/74/48/816077448.db2.gz OHIXYTLCZAFAHH-CALCHBBNSA-N 1 3 287.451 2.445 20 10 CECDHO COc1ccc(O)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000245846752 334221472 /nfs/dbraw/zinc/22/14/72/334221472.db2.gz CGXRPGNODYLISG-CZUORRHYSA-N 1 3 290.407 2.317 20 10 CECDHO COc1ccc(O)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000245846752 334221473 /nfs/dbraw/zinc/22/14/73/334221473.db2.gz CGXRPGNODYLISG-CZUORRHYSA-N 1 3 290.407 2.317 20 10 CECDHO c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc2c1OCC2 ZINC000037649482 526427969 /nfs/dbraw/zinc/42/79/69/526427969.db2.gz FUNXFYLJHBBFAL-AWEZNQCLSA-N 1 3 272.392 2.195 20 10 CECDHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2c1c(F)ccc2[O-] ZINC000902484172 634700636 /nfs/dbraw/zinc/70/06/36/634700636.db2.gz FEPMMTPYZONUNW-BFLSOPEQSA-N 1 3 264.344 2.407 20 10 CECDHO CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C)cc1[O-] ZINC000794814585 629327260 /nfs/dbraw/zinc/32/72/60/629327260.db2.gz MEKBXEWYWLCNSW-HNNXBMFYSA-N 1 3 280.412 2.320 20 10 CECDHO CCOc1cccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000163425562 631565466 /nfs/dbraw/zinc/56/54/66/631565466.db2.gz ITNQKEFDCZLQGI-GXTWGEPZSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(O)c(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000841058824 632361550 /nfs/dbraw/zinc/36/15/50/632361550.db2.gz VUCYTCKQFDYZRH-ZDUSSCGKSA-N 1 3 264.369 2.023 20 10 CECDHO COCC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CC[NH2+]CC1 ZINC000817974444 633819100 /nfs/dbraw/zinc/81/91/00/633819100.db2.gz LYOSKEXBUPEAPE-CQSZACIVSA-N 1 3 292.423 2.367 20 10 CECDHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980720 633823890 /nfs/dbraw/zinc/82/38/90/633823890.db2.gz WQAGZPJWMHTIJS-GXTWGEPZSA-N 1 3 295.402 2.050 20 10 CECDHO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)ccc1[O-] ZINC000817982236 633824955 /nfs/dbraw/zinc/82/49/55/633824955.db2.gz PRJCKKCOFDHBSZ-JBLDHEPKSA-N 1 3 252.333 2.309 20 10 CECDHO CN(C)c1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903955487 635389133 /nfs/dbraw/zinc/38/91/33/635389133.db2.gz STIANXNHTKXPCP-ZDUSSCGKSA-N 1 3 283.366 2.087 20 10 CECDHO [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000841082370 637105190 /nfs/dbraw/zinc/10/51/90/637105190.db2.gz IPTGVCSXUSPDLM-HAQNSBGRSA-N 1 3 266.360 2.386 20 10 CECDHO CN(C)c1ccc(/C=C/CNC2CC[NH+](C)CC2)cc1 ZINC000835033127 638031631 /nfs/dbraw/zinc/03/16/31/638031631.db2.gz CPYHGZYQBDBAED-SNAWJCMRSA-N 1 3 273.424 2.450 20 10 CECDHO CN(C)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000841029086 639620944 /nfs/dbraw/zinc/62/09/44/639620944.db2.gz FUYCULKQGLITGC-JSGCOSHPSA-N 1 3 265.376 2.109 20 10 CECDHO COc1cccc([O-])c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000841080526 639649290 /nfs/dbraw/zinc/64/92/90/639649290.db2.gz SBCRUHQBQDBLON-LLVKDONJSA-N 1 3 252.358 2.008 20 10 CECDHO CCOc1ccc(CN2CC[C@@H]([NH3+])[C@H](CC)C2)c(O)c1 ZINC000843053874 640256001 /nfs/dbraw/zinc/25/60/01/640256001.db2.gz VRRZMOWPNWPWHX-IUODEOHRSA-N 1 3 278.396 2.350 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000844909971 640863401 /nfs/dbraw/zinc/86/34/01/640863401.db2.gz FWWXHOBGLXYQRJ-HLLBOEOZSA-N 1 3 290.407 2.253 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2[O-])C1 ZINC000844909971 640863404 /nfs/dbraw/zinc/86/34/04/640863404.db2.gz FWWXHOBGLXYQRJ-HLLBOEOZSA-N 1 3 290.407 2.253 20 10 CECDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183418392 641733247 /nfs/dbraw/zinc/73/32/47/641733247.db2.gz AWOMZALDZQTHDF-HUUCEWRRSA-N 1 3 291.439 2.069 20 10 CECDHO CN1CC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725575 649470044 /nfs/dbraw/zinc/47/00/44/649470044.db2.gz UOQUZFBPQWCJPC-RDJZCZTQSA-N 1 3 286.419 2.407 20 10 CECDHO CN1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725575 649470046 /nfs/dbraw/zinc/47/00/46/649470046.db2.gz UOQUZFBPQWCJPC-RDJZCZTQSA-N 1 3 286.419 2.407 20 10 CECDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc2c(c1)CCN2C ZINC000368734745 524911508 /nfs/dbraw/zinc/91/15/08/524911508.db2.gz ZYOOVWCUZOWFKV-JKIFEVAISA-N 1 3 287.451 2.497 20 10 CECDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc2c(c1)CCN2C ZINC000368734745 524911521 /nfs/dbraw/zinc/91/15/21/524911521.db2.gz ZYOOVWCUZOWFKV-JKIFEVAISA-N 1 3 287.451 2.497 20 10 CECDHO [O-]c1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197549 628925754 /nfs/dbraw/zinc/92/57/54/628925754.db2.gz KNNOHNKUBAIGKT-HNNXBMFYSA-N 1 3 260.381 2.356 20 10 CECDHO CCN(CC)c1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000841049286 632352749 /nfs/dbraw/zinc/35/27/49/632352749.db2.gz JBTMFBPEAYXBPO-MRXNPFEDSA-N 1 3 261.413 2.360 20 10 CECDHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817891449 633753508 /nfs/dbraw/zinc/75/35/08/633753508.db2.gz KLWQLXVBCOAMGD-KKUMJFAQSA-N 1 3 291.439 2.300 20 10 CECDHO CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000817936587 633787748 /nfs/dbraw/zinc/78/77/48/633787748.db2.gz POLVQGPRRZVUTL-INIZCTEOSA-N 1 3 291.439 2.037 20 10 CECDHO Cc1cc(O)c(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903955473 635388797 /nfs/dbraw/zinc/38/87/97/635388797.db2.gz SLGPKRPDPBBNHB-ZDUSSCGKSA-N 1 3 284.350 2.343 20 10 CECDHO CCCC[C@@H](C[NH3+])NCc1cc(OC)ccc1O ZINC000841030825 639622888 /nfs/dbraw/zinc/62/28/88/639622888.db2.gz ZVKPSUZCBLHHRQ-LBPRGKRZSA-N 1 3 252.358 2.008 20 10 CECDHO CCOc1cccc(CNCCC[NH2+]C2CC2)c1O ZINC000841093865 639655777 /nfs/dbraw/zinc/65/57/77/639655777.db2.gz VGRYVMGAFHECOY-UHFFFAOYSA-N 1 3 264.369 2.023 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([O-])c1 ZINC000843051491 640255344 /nfs/dbraw/zinc/25/53/44/640255344.db2.gz JKEOGGIBAKQEGZ-CHWSQXEVSA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([O-])c1 ZINC000843051491 640255347 /nfs/dbraw/zinc/25/53/47/640255347.db2.gz JKEOGGIBAKQEGZ-CHWSQXEVSA-N 1 3 278.396 2.350 20 10 CECDHO Cc1cc(O)c(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000843120885 640289630 /nfs/dbraw/zinc/28/96/30/640289630.db2.gz XGPUQCKGKVIECD-MRXNPFEDSA-N 1 3 260.381 2.194 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000844909969 640863186 /nfs/dbraw/zinc/86/31/86/640863186.db2.gz FWWXHOBGLXYQRJ-BFYDXBDKSA-N 1 3 290.407 2.253 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2[O-])C1 ZINC000844909969 640863189 /nfs/dbraw/zinc/86/31/89/640863189.db2.gz FWWXHOBGLXYQRJ-BFYDXBDKSA-N 1 3 290.407 2.253 20 10 CECDHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000070171805 641641589 /nfs/dbraw/zinc/64/15/89/641641589.db2.gz KMYLCFWXEKEZOZ-DZGCQCFKSA-N 1 3 261.413 2.312 20 10 CECDHO Cc1cc(F)cc(CN2CCC[C@@H]([NH3+])CC2)c1O ZINC001205124322 807720838 /nfs/dbraw/zinc/72/08/38/807720838.db2.gz OHEOGNGUIFUAQO-CYBMUJFWSA-N 1 3 252.333 2.153 20 10 CECDHO CN(C)c1ccc(CNCC2=CC[N@H+](C)CC2)cc1F ZINC000271789625 373201383 /nfs/dbraw/zinc/20/13/83/373201383.db2.gz GHDNCVLAFPCOOQ-UHFFFAOYSA-N 1 3 277.387 2.243 20 10 CECDHO CN(C)c1ccc(CNCC2=CC[N@@H+](C)CC2)cc1F ZINC000271789625 373201388 /nfs/dbraw/zinc/20/13/88/373201388.db2.gz GHDNCVLAFPCOOQ-UHFFFAOYSA-N 1 3 277.387 2.243 20 10 CECDHO CN(C)c1ccc(C[NH2+]CC2=CCN(C)CC2)cc1F ZINC000271789625 373201393 /nfs/dbraw/zinc/20/13/93/373201393.db2.gz GHDNCVLAFPCOOQ-UHFFFAOYSA-N 1 3 277.387 2.243 20 10 CECDHO C[NH+]1CCC(CC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226607487 263259010 /nfs/dbraw/zinc/25/90/10/263259010.db2.gz GAALCXMRYOCSRU-UHFFFAOYSA-N 1 3 266.360 2.353 20 10 CECDHO COc1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000246073895 334229632 /nfs/dbraw/zinc/22/96/32/334229632.db2.gz ZRYRIZJAVFJRRV-UKRRQHHQSA-N 1 3 290.407 2.317 20 10 CECDHO COc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000246073895 334229633 /nfs/dbraw/zinc/22/96/33/334229633.db2.gz ZRYRIZJAVFJRRV-UKRRQHHQSA-N 1 3 290.407 2.317 20 10 CECDHO [NH3+]CCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000236165516 625902024 /nfs/dbraw/zinc/90/20/24/625902024.db2.gz WQMIYLQQOVOTKA-UHFFFAOYSA-N 1 3 252.333 2.092 20 10 CECDHO C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817953862 633796882 /nfs/dbraw/zinc/79/68/82/633796882.db2.gz VKVUAVCSXLWIKM-ATZCPNFKSA-N 1 3 252.333 2.407 20 10 CECDHO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CNCCC1(F)F ZINC000903958016 635367841 /nfs/dbraw/zinc/36/78/41/635367841.db2.gz VPISYTBGHGJAMZ-CQSZACIVSA-N 1 3 297.393 2.395 20 10 CECDHO CC(C)[C@H]([NH3+])CCNCc1ccc2c(c1)CCCO2 ZINC000904378966 635603116 /nfs/dbraw/zinc/60/31/16/635603116.db2.gz OFPXGBKXLZFVLK-OAHLLOKOSA-N 1 3 262.397 2.475 20 10 CECDHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834620966 637891999 /nfs/dbraw/zinc/89/19/99/637891999.db2.gz ZHVSPVVNXNTYNG-CABCVRRESA-N 1 3 292.423 2.326 20 10 CECDHO Cc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1[O-] ZINC000841037071 639628858 /nfs/dbraw/zinc/62/88/58/639628858.db2.gz SDMPKGPVZSGMPZ-NSHDSACASA-N 1 3 268.788 2.443 20 10 CECDHO [NH3+]C[C@@H](NCc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000841039607 639629692 /nfs/dbraw/zinc/62/96/92/639629692.db2.gz WIKIEOLHWCSBTG-CYBMUJFWSA-N 1 3 292.379 2.118 20 10 CECDHO COc1cccc(CN[C@@H](C[NH3+])C2CCCC2)c1O ZINC000841088249 639651349 /nfs/dbraw/zinc/65/13/49/639651349.db2.gz UCRUNMQTEGEQKX-ZDUSSCGKSA-N 1 3 264.369 2.008 20 10 CECDHO [O-]c1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843127293 640294811 /nfs/dbraw/zinc/29/48/11/640294811.db2.gz PNNVOKUQGOGKBG-CQSZACIVSA-N 1 3 260.381 2.214 20 10 CECDHO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2c1c(F)ccc2[O-] ZINC000873255741 649611828 /nfs/dbraw/zinc/61/18/28/649611828.db2.gz HRGDXMLYXKFHRT-QFOLPQNPSA-N 1 3 264.344 2.407 20 10 CECDHO Cc1cc(CN2CCC[C@H]([NH3+])CC2)ccc1N(C)C ZINC001205101727 807633663 /nfs/dbraw/zinc/63/36/63/807633663.db2.gz JZNXTZCPODIZCR-HNNXBMFYSA-N 1 3 261.413 2.374 20 10 CECDHO CCC[NH+]1C[C@H]2CN(Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140623199 816306692 /nfs/dbraw/zinc/30/66/92/816306692.db2.gz KMESMNKLCOTSNI-HOTGVXAUSA-N 1 3 274.408 2.474 20 10 CECDHO COc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206292777 816519333 /nfs/dbraw/zinc/51/93/33/816519333.db2.gz DMRKDFMXUTVMLT-MRXNPFEDSA-N 1 3 278.396 2.352 20 10 CECDHO COc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206292777 816519336 /nfs/dbraw/zinc/51/93/36/816519336.db2.gz DMRKDFMXUTVMLT-MRXNPFEDSA-N 1 3 278.396 2.352 20 10 CECDHO CCN1CC[C@H](C[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894190131 629197118 /nfs/dbraw/zinc/19/71/18/629197118.db2.gz JSBFTBRDTITEQY-CYBMUJFWSA-N 1 3 278.396 2.141 20 10 CECDHO [O-]c1ccc(F)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843126817 631748194 /nfs/dbraw/zinc/74/81/94/631748194.db2.gz NFDPJEVILQBSOC-UHFFFAOYSA-N 1 3 264.344 2.107 20 10 CECDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000817902325 633763943 /nfs/dbraw/zinc/76/39/43/633763943.db2.gz NSXZFWKSCKEYAM-SWLSCSKDSA-N 1 3 260.381 2.099 20 10 CECDHO CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC[NH2+]CC1 ZINC000817965251 633806916 /nfs/dbraw/zinc/80/69/16/633806916.db2.gz RZDPPBZHABRWCW-CYBMUJFWSA-N 1 3 260.381 2.359 20 10 CECDHO COc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1C ZINC000903954825 635389394 /nfs/dbraw/zinc/38/93/94/635389394.db2.gz GWGGSZGYBVUNRI-CYBMUJFWSA-N 1 3 284.350 2.338 20 10 CECDHO C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355011 635586855 /nfs/dbraw/zinc/58/68/55/635586855.db2.gz JSYYZLDTDMWJMZ-IUODEOHRSA-N 1 3 260.381 2.099 20 10 CECDHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904386023 635608207 /nfs/dbraw/zinc/60/82/07/635608207.db2.gz NANWYOZZGLKGKP-AWEZNQCLSA-N 1 3 296.361 2.346 20 10 CECDHO COc1cccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087471 637566370 /nfs/dbraw/zinc/56/63/70/637566370.db2.gz OECNJXWKJWMIEP-HIFRSBDPSA-N 1 3 290.407 2.365 20 10 CECDHO CCC(N)(CC)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841030355 639622872 /nfs/dbraw/zinc/62/28/72/639622872.db2.gz FQEKIZPIQMBZFF-UHFFFAOYSA-N 1 3 291.439 2.130 20 10 CECDHO Cc1cc(O)c(CN[C@H](C[NH3+])CC(C)C)cc1C ZINC000841037624 639628777 /nfs/dbraw/zinc/62/87/77/639628777.db2.gz BQHQMTHIXUASBH-AWEZNQCLSA-N 1 3 250.386 2.472 20 10 CECDHO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000841051624 639633356 /nfs/dbraw/zinc/63/33/56/639633356.db2.gz SVVAYTBAEWVNOF-MJSXRHKHSA-N 1 3 259.397 2.093 20 10 CECDHO CCOc1cccc(CN[C@H]2CCC[NH2+]CC2)c1O ZINC000841058658 639636218 /nfs/dbraw/zinc/63/62/18/639636218.db2.gz UXHUFAKONRKDOE-ZDUSSCGKSA-N 1 3 264.369 2.023 20 10 CECDHO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124846 640290701 /nfs/dbraw/zinc/29/07/01/640290701.db2.gz JCJJIAVCWCKWFX-ZIAGYGMSSA-N 1 3 290.407 2.222 20 10 CECDHO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124846 640290712 /nfs/dbraw/zinc/29/07/12/640290712.db2.gz JCJJIAVCWCKWFX-ZIAGYGMSSA-N 1 3 290.407 2.222 20 10 CECDHO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000839183148 644182506 /nfs/dbraw/zinc/18/25/06/644182506.db2.gz UTANGRJFQSMAQC-GFCCVEGCSA-N 1 3 266.360 2.353 20 10 CECDHO C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000839183148 644182508 /nfs/dbraw/zinc/18/25/08/644182508.db2.gz UTANGRJFQSMAQC-GFCCVEGCSA-N 1 3 266.360 2.353 20 10 CECDHO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000768545751 646138464 /nfs/dbraw/zinc/13/84/64/646138464.db2.gz CQBCBSYZAFGBQX-CYBMUJFWSA-N 1 3 278.396 2.174 20 10 CECDHO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000768545751 646138467 /nfs/dbraw/zinc/13/84/67/646138467.db2.gz CQBCBSYZAFGBQX-CYBMUJFWSA-N 1 3 278.396 2.174 20 10 CECDHO CCN(CC)c1ccc(CN(C)CCOCC[NH3+])cc1F ZINC000863651289 646777021 /nfs/dbraw/zinc/77/70/21/646777021.db2.gz IQKQCOVQZAJCFP-UHFFFAOYSA-N 1 3 297.418 2.079 20 10 CECDHO CCC[NH+]1CCC(NCc2cc(OC)ccc2O)CC1 ZINC000020190172 649735821 /nfs/dbraw/zinc/73/58/21/649735821.db2.gz DKWWBKAUEHCPKT-UHFFFAOYSA-N 1 3 278.396 2.365 20 10 CECDHO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)ccc1[O-] ZINC000273474361 373759647 /nfs/dbraw/zinc/75/96/47/373759647.db2.gz KLXITYVCECVMRE-NSHDSACASA-N 1 3 264.344 2.444 20 10 CECDHO C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(F)ccc1[O-] ZINC000273474361 373759654 /nfs/dbraw/zinc/75/96/54/373759654.db2.gz KLXITYVCECVMRE-NSHDSACASA-N 1 3 264.344 2.444 20 10 CECDHO CCN1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000037644587 521717256 /nfs/dbraw/zinc/71/72/56/521717256.db2.gz ODXMMIDLHJNNSD-OAHLLOKOSA-N 1 3 262.397 2.435 20 10 CECDHO COc1cccc(C[NH+]2CCC(C)(N3CCC3)CC2)c1O ZINC000895671612 630300795 /nfs/dbraw/zinc/30/07/95/630300795.db2.gz RMIYCIPCWPQLKT-UHFFFAOYSA-N 1 3 290.407 2.461 20 10 CECDHO CCOc1cccc(CNC2(C)CC[NH2+]CC2)c1O ZINC000841064390 632380003 /nfs/dbraw/zinc/38/00/03/632380003.db2.gz FTQLHVJKSMOMBM-UHFFFAOYSA-N 1 3 264.369 2.023 20 10 CECDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCSCC2)cc1 ZINC000817887685 633751510 /nfs/dbraw/zinc/75/15/10/633751510.db2.gz CDBBDTVYTMWYMY-UONOGXRCSA-N 1 3 293.480 2.455 20 10 CECDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000817902324 633764171 /nfs/dbraw/zinc/76/41/71/633764171.db2.gz NSXZFWKSCKEYAM-IUODEOHRSA-N 1 3 260.381 2.099 20 10 CECDHO Nc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000817956213 633799953 /nfs/dbraw/zinc/79/99/53/633799953.db2.gz TZCPJOUWFIERLR-HOTGVXAUSA-N 1 3 259.397 2.028 20 10 CECDHO Nc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000817956213 633799957 /nfs/dbraw/zinc/79/99/57/633799957.db2.gz TZCPJOUWFIERLR-HOTGVXAUSA-N 1 3 259.397 2.028 20 10 CECDHO COc1ccc(O)c([C@@H](C)N[C@H](C[NH3+])CC(C)C)c1 ZINC000817959146 633801760 /nfs/dbraw/zinc/80/17/60/633801760.db2.gz PTWPTJPZAROCHO-NEPJUHHUSA-N 1 3 266.385 2.425 20 10 CECDHO C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817963441 633804933 /nfs/dbraw/zinc/80/49/33/633804933.db2.gz UXOKONIUMDJKLR-WCABBAIRSA-N 1 3 252.333 2.264 20 10 CECDHO Cc1cc(Br)cc([C@@H](C)NCC2C[NH2+]C2)c1O ZINC000817964755 633806266 /nfs/dbraw/zinc/80/62/66/633806266.db2.gz HAIQURYTSZJDCR-SECBINFHSA-N 1 3 299.212 2.333 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000817970846 633814203 /nfs/dbraw/zinc/81/42/03/633814203.db2.gz GFJAMLSQVWPGJY-COPLHBTASA-N 1 3 264.369 2.049 20 10 CECDHO Cc1cc(Br)cc([C@@H](C)NC[C@@H](C)[NH3+])c1O ZINC000817972968 633815897 /nfs/dbraw/zinc/81/58/97/633815897.db2.gz QOSBBBDICBZVED-RKDXNWHRSA-N 1 3 287.201 2.461 20 10 CECDHO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1[O-] ZINC000817975741 633818547 /nfs/dbraw/zinc/81/85/47/633818547.db2.gz AMNCNNYFAWEEAW-IINYFYTJSA-N 1 3 264.344 2.324 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000817985575 633828707 /nfs/dbraw/zinc/82/87/07/633828707.db2.gz FPCIBZVLIUYVMA-KBUPBQIOSA-N 1 3 272.392 2.357 20 10 CECDHO CN(CCC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000841002901 639614010 /nfs/dbraw/zinc/61/40/10/639614010.db2.gz HUZOLBCDYFGQPF-UHFFFAOYSA-N 1 3 261.413 2.458 20 10 CECDHO CN(C)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000841030952 639622667 /nfs/dbraw/zinc/62/26/67/639622667.db2.gz PYTWKAJEYPIBEK-UKRRQHHQSA-N 1 3 279.403 2.499 20 10 CECDHO [NH3+]CCc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000841031977 639624034 /nfs/dbraw/zinc/62/40/34/639624034.db2.gz FIMJPERKLBCZPP-UHFFFAOYSA-N 1 3 282.387 2.413 20 10 CECDHO C[C@@H](C[NH3+])CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000841047664 639631941 /nfs/dbraw/zinc/63/19/41/639631941.db2.gz AVCMIVBBEVBVDP-JTQLQIEISA-N 1 3 289.345 2.456 20 10 CECDHO CCOc1cccc(CN[C@H]2CC[NH2+]CC2(C)C)c1O ZINC000841072048 639643799 /nfs/dbraw/zinc/64/37/99/639643799.db2.gz FEBKMYSSWVUXBR-AWEZNQCLSA-N 1 3 278.396 2.269 20 10 CECDHO CCOc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c([O-])c1 ZINC000841081093 639649831 /nfs/dbraw/zinc/64/98/31/639649831.db2.gz UBSLJXAVZLAUIZ-GFCCVEGCSA-N 1 3 266.385 2.398 20 10 CECDHO CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c([O-])c1 ZINC000841084467 639650822 /nfs/dbraw/zinc/65/08/22/639650822.db2.gz JXFYBLWTAHDUGH-YPMHNXCESA-N 1 3 264.369 2.008 20 10 CECDHO COc1ccc(O)c(CN[C@@H](C[NH3+])C2CCCC2)c1 ZINC000841087068 639652321 /nfs/dbraw/zinc/65/23/21/639652321.db2.gz MKBKNPLCTSHYMV-AWEZNQCLSA-N 1 3 264.369 2.008 20 10 CECDHO C[NH2+]CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000843050052 640253774 /nfs/dbraw/zinc/25/37/74/640253774.db2.gz YSTHPDCWJALRIV-UHFFFAOYSA-N 1 3 279.403 2.323 20 10 CECDHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000153745618 640630674 /nfs/dbraw/zinc/63/06/74/640630674.db2.gz BLVWCJJEVIJIKB-OAHLLOKOSA-N 1 3 293.455 2.372 20 10 CECDHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000153745618 640630679 /nfs/dbraw/zinc/63/06/79/640630679.db2.gz BLVWCJJEVIJIKB-OAHLLOKOSA-N 1 3 293.455 2.372 20 10 CECDHO CC[N@H+](CCN)Cc1ccc(N2CCCCC2)cc1 ZINC000863644668 646776209 /nfs/dbraw/zinc/77/62/09/646776209.db2.gz FRFCNQJOXKWXBB-UHFFFAOYSA-N 1 3 261.413 2.458 20 10 CECDHO CC[N@@H+](CCN)Cc1ccc(N2CCCCC2)cc1 ZINC000863644668 646776210 /nfs/dbraw/zinc/77/62/10/646776210.db2.gz FRFCNQJOXKWXBB-UHFFFAOYSA-N 1 3 261.413 2.458 20 10 CECDHO COc1cccc(O)c1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872251172 649329138 /nfs/dbraw/zinc/32/91/38/649329138.db2.gz HDPHWYXCYNCAFK-GFCCVEGCSA-N 1 3 278.396 2.269 20 10 CECDHO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169107697 811401307 /nfs/dbraw/zinc/40/13/07/811401307.db2.gz KHSZYFDMMOCEMC-XGBSXSJOSA-N 1 3 273.424 2.467 20 10 CECDHO CC[NH+](CC)CC[C@@H](C)NCCc1cc(O)c(O)cc1O ZINC001255946202 814026295 /nfs/dbraw/zinc/02/62/95/814026295.db2.gz SCAWNFCTKVVQCW-GFCCVEGCSA-N 1 3 296.411 2.056 20 10 CECDHO COc1ccc(O)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000156093796 366827609 /nfs/dbraw/zinc/82/76/09/366827609.db2.gz CGXRPGNODYLISG-BBRMVZONSA-N 1 3 290.407 2.317 20 10 CECDHO COc1ccc(O)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000156093796 366827611 /nfs/dbraw/zinc/82/76/11/366827611.db2.gz CGXRPGNODYLISG-BBRMVZONSA-N 1 3 290.407 2.317 20 10 CECDHO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000071408004 525350351 /nfs/dbraw/zinc/35/03/51/525350351.db2.gz JZFQEROGUYNVEQ-ZDUSSCGKSA-N 1 3 260.381 2.275 20 10 CECDHO COc1cccc(CNC[C@H](C)C[NH+]2CCCC2)c1O ZINC000060942118 526020581 /nfs/dbraw/zinc/02/05/81/526020581.db2.gz XJDZKRIYKDCNHI-ZDUSSCGKSA-N 1 3 278.396 2.222 20 10 CECDHO CSC1(C[NH2+]Cc2ccccc2[O-])CC[NH+](C)CC1 ZINC000810170517 632190767 /nfs/dbraw/zinc/19/07/67/632190767.db2.gz MDWNHQGUSUAONT-UHFFFAOYSA-N 1 3 280.437 2.309 20 10 CECDHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c([O-])c1 ZINC000817976492 633820220 /nfs/dbraw/zinc/82/02/20/633820220.db2.gz MAVAAACEGPQWON-IUODEOHRSA-N 1 3 260.381 2.493 20 10 CECDHO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000904411637 635619445 /nfs/dbraw/zinc/61/94/45/635619445.db2.gz ONWKCBXXRSDYTD-GHMZBOCLSA-N 1 3 298.814 2.471 20 10 CECDHO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000904411637 635619446 /nfs/dbraw/zinc/61/94/46/635619446.db2.gz ONWKCBXXRSDYTD-GHMZBOCLSA-N 1 3 298.814 2.471 20 10 CECDHO Oc1ccc(F)cc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088528 637698042 /nfs/dbraw/zinc/69/80/42/637698042.db2.gz YWKVVVPXWFGMFB-WFASDCNBSA-N 1 3 278.371 2.495 20 10 CECDHO CN(C)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000841029085 639621285 /nfs/dbraw/zinc/62/12/85/639621285.db2.gz FUYCULKQGLITGC-GXTWGEPZSA-N 1 3 265.376 2.109 20 10 CECDHO CN(C)c1ccc(/C=C/C[NH2+]CC2(N)CCC2)cc1 ZINC000841049480 639632679 /nfs/dbraw/zinc/63/26/79/639632679.db2.gz SCLOCNBAHZACOI-HWKANZROSA-N 1 3 259.397 2.237 20 10 CECDHO COc1cc(O)c(CN[C@H](C[NH3+])C2CCCC2)cc1OC ZINC000841087500 639651931 /nfs/dbraw/zinc/65/19/31/639651931.db2.gz OUPMIHZZCHLJPB-CYBMUJFWSA-N 1 3 294.395 2.017 20 10 CECDHO C[NH2+]C[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000843045381 640251610 /nfs/dbraw/zinc/25/16/10/640251610.db2.gz WANUIZNSJWVGAT-CQSZACIVSA-N 1 3 262.397 2.440 20 10 CECDHO CCN(CC)c1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC000843048521 640252453 /nfs/dbraw/zinc/25/24/53/640252453.db2.gz FDSFQFMWAZUSNG-OAHLLOKOSA-N 1 3 261.413 2.313 20 10 CECDHO CCOc1ccc(O)c(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000843053623 640255729 /nfs/dbraw/zinc/25/57/29/640255729.db2.gz OXNQUOXCSBFAHT-SWLSCSKDSA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c([O-])c1 ZINC000848563780 642056145 /nfs/dbraw/zinc/05/61/45/642056145.db2.gz XKGVLQFJWVLBOZ-XBXGTLAGSA-N 1 3 278.396 2.221 20 10 CECDHO CCN1CCN(c2ccc(C[NH+]3CC=CC3)cc2)CC1 ZINC001140300788 816227234 /nfs/dbraw/zinc/22/72/34/816227234.db2.gz UFTATLLUMAVFMA-UHFFFAOYSA-N 1 3 271.408 2.200 20 10 CECDHO CN(C)c1ccc(CNCCC(C)(C)[NH3+])cc1F ZINC000903939145 635348345 /nfs/dbraw/zinc/34/83/45/635348345.db2.gz RNPNSUWQCIXIGY-UHFFFAOYSA-N 1 3 253.365 2.109 20 10 CECDHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817901280 633761395 /nfs/dbraw/zinc/76/13/95/633761395.db2.gz AQKZOKVDZOIHIH-CABCVRRESA-N 1 3 260.381 2.371 20 10 CECDHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817953920 633798946 /nfs/dbraw/zinc/79/89/46/633798946.db2.gz WIYPSMJBWYWPSZ-QWHCGFSZSA-N 1 3 295.402 2.050 20 10 CECDHO COc1ccc(O)c([C@@H](C)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000817966869 633810302 /nfs/dbraw/zinc/81/03/02/633810302.db2.gz XFKMNWZYEBMCJH-MLGOLLRUSA-N 1 3 278.396 2.441 20 10 CECDHO Cc1cccc(O)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876940796 650497033 /nfs/dbraw/zinc/49/70/33/650497033.db2.gz XTQMKNTZOYPKSY-ZIAGYGMSSA-N 1 3 260.381 2.417 20 10 CECDHO Cc1cccc(O)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876940796 650497034 /nfs/dbraw/zinc/49/70/34/650497034.db2.gz XTQMKNTZOYPKSY-ZIAGYGMSSA-N 1 3 260.381 2.417 20 10 CECDHO C[C@H]([NH3+])C[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000843130002 640296396 /nfs/dbraw/zinc/29/63/96/640296396.db2.gz WNEMXVPWYQUVQB-BEVHLOIGSA-N 1 3 261.413 2.481 20 10 CECDHO Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c([O-])c1 ZINC000877623359 650818581 /nfs/dbraw/zinc/81/85/81/650818581.db2.gz NGCNAMDADYRGOV-HNNXBMFYSA-N 1 3 293.455 2.062 20 10 CECDHO Cc1cc(C[N@@H+]2CCCC[C@@H]2CN)ccc1N(C)C ZINC000923282738 643638394 /nfs/dbraw/zinc/63/83/94/643638394.db2.gz XEOUMITXXOEPGJ-OAHLLOKOSA-N 1 3 261.413 2.374 20 10 CECDHO Cc1cc(C[N@H+]2CCCC[C@@H]2CN)ccc1N(C)C ZINC000923282738 643638397 /nfs/dbraw/zinc/63/83/97/643638397.db2.gz XEOUMITXXOEPGJ-OAHLLOKOSA-N 1 3 261.413 2.374 20 10 CECDHO Cc1cc(CN2CC[C@@](C)(C[NH3+])C2)ccc1N(C)C ZINC000923356837 643679544 /nfs/dbraw/zinc/67/95/44/643679544.db2.gz VBOYIOGMZJXBEH-INIZCTEOSA-N 1 3 261.413 2.232 20 10 CECDHO Cc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1C ZINC000857226757 644859189 /nfs/dbraw/zinc/85/91/89/644859189.db2.gz YWDFBBPBNKHWFB-GDBMZVCRSA-N 1 3 260.381 2.322 20 10 CECDHO Cc1cc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1C ZINC000857226757 644859197 /nfs/dbraw/zinc/85/91/97/644859197.db2.gz YWDFBBPBNKHWFB-GDBMZVCRSA-N 1 3 260.381 2.322 20 10 CECDHO COc1cccc([O-])c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000769327579 646246198 /nfs/dbraw/zinc/24/61/98/646246198.db2.gz CMMHMNSUHWIQMO-UHFFFAOYSA-N 1 3 278.396 2.174 20 10 CECDHO COc1cccc([O-])c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000769327579 646246203 /nfs/dbraw/zinc/24/62/03/646246203.db2.gz CMMHMNSUHWIQMO-UHFFFAOYSA-N 1 3 278.396 2.174 20 10 CECDHO [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873261748 649615164 /nfs/dbraw/zinc/61/51/64/649615164.db2.gz RFFOTKQNZQHJRF-ATGSNQNLSA-N 1 3 272.392 2.500 20 10 CECDHO COc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1[O-] ZINC000227328865 370366470 /nfs/dbraw/zinc/36/64/70/370366470.db2.gz BVBBOKNPGMHUPE-UHFFFAOYSA-N 1 3 278.396 2.222 20 10 CECDHO CN1CCc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)ccc21 ZINC000322843087 376833504 /nfs/dbraw/zinc/83/35/04/376833504.db2.gz LDRYPKZCPFLXRT-ALOPSCKCSA-N 1 3 285.435 2.394 20 10 CECDHO Oc1ccccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179578541 395197045 /nfs/dbraw/zinc/19/70/45/395197045.db2.gz RJSOYCUJRLRVGB-CQSZACIVSA-N 1 3 260.381 2.310 20 10 CECDHO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCN(CCOC)C1 ZINC000278357591 521697035 /nfs/dbraw/zinc/69/70/35/521697035.db2.gz JIBFBXHVGBINPP-KRWDZBQOSA-N 1 3 291.439 2.082 20 10 CECDHO C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1[O-] ZINC000925798316 628844900 /nfs/dbraw/zinc/84/49/00/628844900.db2.gz QOLGCCABIUNGHV-IJLUTSLNSA-N 1 3 266.360 2.428 20 10 CECDHO C[C@H]([NH3+])C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000843130004 631772506 /nfs/dbraw/zinc/77/25/06/631772506.db2.gz WNEMXVPWYQUVQB-LAWSMPECSA-N 1 3 261.413 2.481 20 10 CECDHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817953923 633798697 /nfs/dbraw/zinc/79/86/97/633798697.db2.gz WIYPSMJBWYWPSZ-STQMWFEESA-N 1 3 295.402 2.050 20 10 CECDHO C[C@H](NCC1C[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817964602 633807275 /nfs/dbraw/zinc/80/72/75/633807275.db2.gz CXYNRHJLEJOMJR-NSHDSACASA-N 1 3 260.381 2.141 20 10 CECDHO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817985451 633828019 /nfs/dbraw/zinc/82/80/19/633828019.db2.gz KDZTXUMEKWIMCS-NSHDSACASA-N 1 3 264.344 2.492 20 10 CECDHO CN(C)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000841030951 639622918 /nfs/dbraw/zinc/62/29/18/639622918.db2.gz PYTWKAJEYPIBEK-HIFRSBDPSA-N 1 3 279.403 2.499 20 10 CECDHO COC[C@@H](CC(C)C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045918 639631265 /nfs/dbraw/zinc/63/12/65/639631265.db2.gz SQQATQOLHWBISW-NVXWUHKLSA-N 1 3 293.455 2.403 20 10 CECDHO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000841100092 639668888 /nfs/dbraw/zinc/66/88/88/639668888.db2.gz UKZHDDCFTGYOLX-NVXWUHKLSA-N 1 3 290.407 2.111 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843052486 640255799 /nfs/dbraw/zinc/25/57/99/640255799.db2.gz UPLZZGXAVSBEBT-CZUORRHYSA-N 1 3 261.413 2.230 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1[O-] ZINC000843129893 640296271 /nfs/dbraw/zinc/29/62/71/640296271.db2.gz SRXJBXQYGXYVLA-RKDXNWHRSA-N 1 3 272.776 2.270 20 10 CECDHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000153745472 640630783 /nfs/dbraw/zinc/63/07/83/640630783.db2.gz BLVWCJJEVIJIKB-HNNXBMFYSA-N 1 3 293.455 2.372 20 10 CECDHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000153745472 640630788 /nfs/dbraw/zinc/63/07/88/640630788.db2.gz BLVWCJJEVIJIKB-HNNXBMFYSA-N 1 3 293.455 2.372 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000844901456 640860029 /nfs/dbraw/zinc/86/00/29/640860029.db2.gz FMAFIBLZPQYUFG-ZMSDIMECSA-N 1 3 290.407 2.111 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000844901456 640860031 /nfs/dbraw/zinc/86/00/31/640860031.db2.gz FMAFIBLZPQYUFG-ZMSDIMECSA-N 1 3 290.407 2.111 20 10 CECDHO COc1cccc([C@H](C)NCCC[NH+](C)C)c1O ZINC000846136494 641198047 /nfs/dbraw/zinc/19/80/47/641198047.db2.gz IZKCWCGPCKMVCM-NSHDSACASA-N 1 3 252.358 2.003 20 10 CECDHO CCC[NH+]1CCC(NCc2cccc(OC)c2O)CC1 ZINC000020189709 649735684 /nfs/dbraw/zinc/73/56/84/649735684.db2.gz FWUHMAXCYWZPHL-UHFFFAOYSA-N 1 3 278.396 2.365 20 10 CECDHO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1C ZINC001204087450 815355301 /nfs/dbraw/zinc/35/53/01/815355301.db2.gz BPGIYGHBKNOTFK-ARFHVFGLSA-N 1 3 274.408 2.433 20 10 CECDHO Cc1c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2ccccc2n1C ZINC001138258102 815755737 /nfs/dbraw/zinc/75/57/37/815755737.db2.gz LPDHPPAUADTBKK-GASCZTMLSA-N 1 3 283.419 2.480 20 10 CECDHO Cc1c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2ccccc2n1C ZINC001138258102 815755742 /nfs/dbraw/zinc/75/57/42/815755742.db2.gz LPDHPPAUADTBKK-GASCZTMLSA-N 1 3 283.419 2.480 20 10 CECDHO CCN(CCC[NH+](C)C)Cc1ccc(O)c(C)c1O ZINC001140750199 816343216 /nfs/dbraw/zinc/34/32/16/816343216.db2.gz XJSIBZHJKGFHOT-UHFFFAOYSA-N 1 3 266.385 2.180 20 10 CECDHO Nc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000817956214 633799826 /nfs/dbraw/zinc/79/98/26/633799826.db2.gz TZCPJOUWFIERLR-HZPDHXFCSA-N 1 3 259.397 2.028 20 10 CECDHO Nc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000817956214 633799833 /nfs/dbraw/zinc/79/98/33/633799833.db2.gz TZCPJOUWFIERLR-HZPDHXFCSA-N 1 3 259.397 2.028 20 10 CECDHO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c([O-])c1 ZINC000817976493 633819704 /nfs/dbraw/zinc/81/97/04/633819704.db2.gz MAVAAACEGPQWON-SWLSCSKDSA-N 1 3 260.381 2.493 20 10 CECDHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNCCCO2)c(O)c1C ZINC000817982241 633824950 /nfs/dbraw/zinc/82/49/50/633824950.db2.gz PSXQDRBTLFCHLM-UONOGXRCSA-N 1 3 278.396 2.038 20 10 CECDHO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000904411640 635619449 /nfs/dbraw/zinc/61/94/49/635619449.db2.gz ONWKCBXXRSDYTD-WDEREUQCSA-N 1 3 298.814 2.471 20 10 CECDHO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000904411640 635619450 /nfs/dbraw/zinc/61/94/50/635619450.db2.gz ONWKCBXXRSDYTD-WDEREUQCSA-N 1 3 298.814 2.471 20 10 CECDHO CCOc1cccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c1O ZINC000841033086 639625663 /nfs/dbraw/zinc/62/56/63/639625663.db2.gz KGJIVTATVGTQFD-STQMWFEESA-N 1 3 278.396 2.269 20 10 CECDHO [NH3+]C[C@H](NCc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000841039608 639630199 /nfs/dbraw/zinc/63/01/99/639630199.db2.gz WIKIEOLHWCSBTG-ZDUSSCGKSA-N 1 3 292.379 2.118 20 10 CECDHO COC[C@@H](CC(C)C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045920 639631240 /nfs/dbraw/zinc/63/12/40/639631240.db2.gz SQQATQOLHWBISW-WBVHZDCISA-N 1 3 293.455 2.403 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c([O-])c1 ZINC000841084465 639650324 /nfs/dbraw/zinc/65/03/24/639650324.db2.gz JXFYBLWTAHDUGH-DGCLKSJQSA-N 1 3 264.369 2.008 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c([O-])c1 ZINC000843051492 640255018 /nfs/dbraw/zinc/25/50/18/640255018.db2.gz JKEOGGIBAKQEGZ-OLZOCXBDSA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c([O-])c1 ZINC000843051492 640255021 /nfs/dbraw/zinc/25/50/21/640255021.db2.gz JKEOGGIBAKQEGZ-OLZOCXBDSA-N 1 3 278.396 2.350 20 10 CECDHO C[C@H]([NH3+])[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843057358 640259621 /nfs/dbraw/zinc/25/96/21/640259621.db2.gz JFMDCUYRDWUUIP-QNKPMFPBSA-N 1 3 273.424 2.435 20 10 CECDHO CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000757673770 644834103 /nfs/dbraw/zinc/83/41/03/644834103.db2.gz JGOLKUQBSCDHAZ-AWEZNQCLSA-N 1 3 280.412 2.401 20 10 CECDHO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)cc1C ZINC000857226759 644859732 /nfs/dbraw/zinc/85/97/32/644859732.db2.gz YWDFBBPBNKHWFB-HOCLYGCPSA-N 1 3 260.381 2.322 20 10 CECDHO Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(N)C2)cc1C ZINC000857226759 644859742 /nfs/dbraw/zinc/85/97/42/644859742.db2.gz YWDFBBPBNKHWFB-HOCLYGCPSA-N 1 3 260.381 2.322 20 10 CECDHO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)cc1C ZINC000857226758 644859951 /nfs/dbraw/zinc/85/99/51/644859951.db2.gz YWDFBBPBNKHWFB-GOEBONIOSA-N 1 3 260.381 2.322 20 10 CECDHO Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@]3(N)C2)cc1C ZINC000857226758 644859956 /nfs/dbraw/zinc/85/99/56/644859956.db2.gz YWDFBBPBNKHWFB-GOEBONIOSA-N 1 3 260.381 2.322 20 10 CECDHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001172110343 815300214 /nfs/dbraw/zinc/30/02/14/815300214.db2.gz MNNHRBIXQKJDGV-BTTYYORXSA-N 1 3 276.380 2.203 20 10 CECDHO CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169107696 811401987 /nfs/dbraw/zinc/40/19/87/811401987.db2.gz KHSZYFDMMOCEMC-ACHSLPGTSA-N 1 3 273.424 2.467 20 10 CECDHO COc1cc(CN2CCC3(CC3)C2)cc(C[NH+](C)C)c1O ZINC001139254004 812369295 /nfs/dbraw/zinc/36/92/95/812369295.db2.gz BJEPLMULGMOCED-UHFFFAOYSA-N 1 3 290.407 2.448 20 10 CECDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](F)(CN)C2)c(O)c1 ZINC001206360744 816825560 /nfs/dbraw/zinc/82/55/60/816825560.db2.gz AIGLDYLORCNPLR-MRXNPFEDSA-N 1 3 295.402 2.111 20 10 CECDHO CN(C)c1ccc(C[N@H+]2CCCC[C@@](F)(CN)C2)c(O)c1 ZINC001206360744 816825568 /nfs/dbraw/zinc/82/55/68/816825568.db2.gz AIGLDYLORCNPLR-MRXNPFEDSA-N 1 3 295.402 2.111 20 10 CECDHO COc1ccc([O-])c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278721403 524749111 /nfs/dbraw/zinc/74/91/11/524749111.db2.gz PRRUSEXRCBSMNZ-UHFFFAOYSA-N 1 3 290.407 2.365 20 10 CECDHO COc1ccc([O-])c([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663281 524769869 /nfs/dbraw/zinc/76/98/69/524769869.db2.gz LENRUUYLIRCGBG-LBPRGKRZSA-N 1 3 266.385 2.393 20 10 CECDHO COc1ccc(O)c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040622413 623746306 /nfs/dbraw/zinc/74/63/06/623746306.db2.gz YKPFHXRGYITYGA-ZDUSSCGKSA-N 1 3 278.396 2.221 20 10 CECDHO COc1ccc(O)c(CNC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040622413 623746307 /nfs/dbraw/zinc/74/63/07/623746307.db2.gz YKPFHXRGYITYGA-ZDUSSCGKSA-N 1 3 278.396 2.221 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897620320 631832023 /nfs/dbraw/zinc/83/20/23/631832023.db2.gz MTWMPBBAJFELER-FUHWJXTLSA-N 1 3 287.451 2.445 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897620320 631832026 /nfs/dbraw/zinc/83/20/26/631832026.db2.gz MTWMPBBAJFELER-FUHWJXTLSA-N 1 3 287.451 2.445 20 10 CECDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000817902326 633763721 /nfs/dbraw/zinc/76/37/21/633763721.db2.gz NSXZFWKSCKEYAM-WFASDCNBSA-N 1 3 260.381 2.099 20 10 CECDHO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](C)N ZINC000817977752 633822127 /nfs/dbraw/zinc/82/21/27/633822127.db2.gz OCIQQWVBASRZCU-XQQFMLRXSA-N 1 3 295.402 2.049 20 10 CECDHO COc1cccc(CN2CCCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000903960094 635369013 /nfs/dbraw/zinc/36/90/13/635369013.db2.gz WWFHJNQWXZLENW-QGZVFWFLSA-N 1 3 290.407 2.366 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000841090870 639653351 /nfs/dbraw/zinc/65/33/51/639653351.db2.gz OXOSVGOFOGZSKO-RHSMWYFYSA-N 1 3 275.440 2.478 20 10 CECDHO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000841090870 639653355 /nfs/dbraw/zinc/65/33/55/639653355.db2.gz OXOSVGOFOGZSKO-RHSMWYFYSA-N 1 3 275.440 2.478 20 10 CECDHO C[C@@H]1C[C@@H](C[NH3+])CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843058699 640261233 /nfs/dbraw/zinc/26/12/33/640261233.db2.gz WHAMBXSFODACND-PJFORWJISA-N 1 3 273.424 2.435 20 10 CECDHO CN(C)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000843059940 640262827 /nfs/dbraw/zinc/26/28/27/640262827.db2.gz VQTPVOWWXPWHGM-LZWOXQAQSA-N 1 3 291.414 2.451 20 10 CECDHO C[NH2+]Cc1ccccc1C[NH2+]Cc1c([O-])cccc1OC ZINC000844904377 640861462 /nfs/dbraw/zinc/86/14/62/640861462.db2.gz JUHJKUASKVFOEH-UHFFFAOYSA-N 1 3 286.375 2.410 20 10 CECDHO C[NH2+]Cc1ccccc1CNCc1c(O)cccc1OC ZINC000844904377 640861463 /nfs/dbraw/zinc/86/14/63/640861463.db2.gz JUHJKUASKVFOEH-UHFFFAOYSA-N 1 3 286.375 2.410 20 10 CECDHO CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877333391 650678758 /nfs/dbraw/zinc/67/87/58/650678758.db2.gz UJGCNRRPYFPWIM-UHFFFAOYSA-N 1 3 280.412 2.149 20 10 CECDHO COc1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1C ZINC000853247048 643721309 /nfs/dbraw/zinc/72/13/09/643721309.db2.gz AMDUKBAQVJQVEX-CQSZACIVSA-N 1 3 250.386 2.467 20 10 CECDHO Cc1cc(N(C)C)ccc1CN[C@@H](C)CC[NH+](C)C ZINC000768691112 646154814 /nfs/dbraw/zinc/15/48/14/646154814.db2.gz PMUSMATVCKSKGK-AWEZNQCLSA-N 1 3 263.429 2.491 20 10 CECDHO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2c1c(F)ccc2[O-] ZINC000873255738 649611751 /nfs/dbraw/zinc/61/17/51/649611751.db2.gz HRGDXMLYXKFHRT-GMOBBJLQSA-N 1 3 264.344 2.407 20 10 CECDHO CCc1ccc(CN2CCC[C@H](C[NH2+]C)C2)c(O)c1 ZINC001205017985 805948533 /nfs/dbraw/zinc/94/85/33/805948533.db2.gz QEJNFAHRFOUFJJ-CQSZACIVSA-N 1 3 262.397 2.386 20 10 CECDHO COc1cc(C[N@H+](C)C(C)C)cc(C[NH+](C)C)c1[O-] ZINC001139253582 815996775 /nfs/dbraw/zinc/99/67/75/815996775.db2.gz ZIFHSWHCAANNLM-UHFFFAOYSA-N 1 3 266.385 2.303 20 10 CECDHO COc1cc(C[N@@H+](C)C(C)C)cc(C[NH+](C)C)c1[O-] ZINC001139253582 815996777 /nfs/dbraw/zinc/99/67/77/815996777.db2.gz ZIFHSWHCAANNLM-UHFFFAOYSA-N 1 3 266.385 2.303 20 10 CECDHO C[NH+]1CCC2(C[NH+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC001140059201 816180391 /nfs/dbraw/zinc/18/03/91/816180391.db2.gz YOGLEIKOPKQHKT-UHFFFAOYSA-N 1 3 264.344 2.059 20 10 CECDHO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000179637673 368347209 /nfs/dbraw/zinc/34/72/09/368347209.db2.gz BPWKLDSTVDRWNR-ZDUSSCGKSA-N 1 3 278.396 2.174 20 10 CECDHO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000179637673 368347214 /nfs/dbraw/zinc/34/72/14/368347214.db2.gz BPWKLDSTVDRWNR-ZDUSSCGKSA-N 1 3 278.396 2.174 20 10 CECDHO CN(C)c1ccc(/C=C/CNCCC(C)(C)[NH3+])cc1 ZINC000903939840 635373281 /nfs/dbraw/zinc/37/32/81/635373281.db2.gz OJRXKNJTOYJGFO-AATRIKPKSA-N 1 3 261.413 2.483 20 10 CECDHO Cc1ccc(O)c(CNC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955542 635389270 /nfs/dbraw/zinc/38/92/70/635389270.db2.gz UZWVTMZRDWGEEQ-GFCCVEGCSA-N 1 3 270.323 2.035 20 10 CECDHO COc1ccc(O)c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841085703 637403698 /nfs/dbraw/zinc/40/36/98/637403698.db2.gz BCCSQKGMBLNCIT-BBRMVZONSA-N 1 3 290.407 2.365 20 10 CECDHO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000841029088 639621294 /nfs/dbraw/zinc/62/12/94/639621294.db2.gz FUYCULKQGLITGC-TZMCWYRMSA-N 1 3 265.376 2.109 20 10 CECDHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841029055 639621681 /nfs/dbraw/zinc/62/16/81/639621681.db2.gz FCLNWCCFORSUBK-CABCVRRESA-N 1 3 260.381 2.229 20 10 CECDHO Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000841048960 639631969 /nfs/dbraw/zinc/63/19/69/639631969.db2.gz IDMPBVDBLRWYMN-LBPRGKRZSA-N 1 3 299.212 2.290 20 10 CECDHO CCOc1cccc(CN[C@@H]2CC[NH2+]CC2(C)C)c1O ZINC000841072050 639643202 /nfs/dbraw/zinc/64/32/02/639643202.db2.gz FEBKMYSSWVUXBR-CQSZACIVSA-N 1 3 278.396 2.269 20 10 CECDHO CCOCc1cc(C[NH2+][C@@H](C)[C@H](C)N)ccc1OC ZINC000841079555 639648017 /nfs/dbraw/zinc/64/80/17/639648017.db2.gz KUXUJAQRNYQZTG-RYUDHWBXSA-N 1 3 266.385 2.057 20 10 CECDHO CCOCc1cc(C[NH2+][C@@H](C)[C@@H](C)N)ccc1OC ZINC000841079553 639648358 /nfs/dbraw/zinc/64/83/58/639648358.db2.gz KUXUJAQRNYQZTG-NEPJUHHUSA-N 1 3 266.385 2.057 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c([O-])c1 ZINC000841081094 639649870 /nfs/dbraw/zinc/64/98/70/639649870.db2.gz UBSLJXAVZLAUIZ-LBPRGKRZSA-N 1 3 266.385 2.398 20 10 CECDHO COc1cc(O)c(CN[C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000841087502 639651861 /nfs/dbraw/zinc/65/18/61/639651861.db2.gz OUPMIHZZCHLJPB-ZDUSSCGKSA-N 1 3 294.395 2.017 20 10 CECDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000877042037 650544093 /nfs/dbraw/zinc/54/40/93/650544093.db2.gz RXBUACGGMCPPKA-OAHLLOKOSA-N 1 3 292.423 2.027 20 10 CECDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000877042037 650544097 /nfs/dbraw/zinc/54/40/97/650544097.db2.gz RXBUACGGMCPPKA-OAHLLOKOSA-N 1 3 292.423 2.027 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CCC[C@@H](C[NH3+])C1 ZINC000843047098 640251205 /nfs/dbraw/zinc/25/12/05/640251205.db2.gz NZJAGEWSGFJNDN-AWEZNQCLSA-N 1 3 261.413 2.232 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000839183826 644182724 /nfs/dbraw/zinc/18/27/24/644182724.db2.gz ZQXBQWNIDGBIKD-CYBMUJFWSA-N 1 3 278.396 2.222 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183826 644182725 /nfs/dbraw/zinc/18/27/25/644182725.db2.gz ZQXBQWNIDGBIKD-CYBMUJFWSA-N 1 3 278.396 2.222 20 10 CECDHO C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)c2c1c(F)ccc2[O-] ZINC000774375632 646839754 /nfs/dbraw/zinc/83/97/54/646839754.db2.gz DETWSCQTBCWJOE-WCQYABFASA-N 1 3 296.386 2.247 20 10 CECDHO CCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c([O-])c1 ZINC000776256891 647043569 /nfs/dbraw/zinc/04/35/69/647043569.db2.gz HAMTYDUDDUUJOE-UHFFFAOYSA-N 1 3 276.380 2.142 20 10 CECDHO CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c([O-])c1 ZINC000776256891 647043575 /nfs/dbraw/zinc/04/35/75/647043575.db2.gz HAMTYDUDDUUJOE-UHFFFAOYSA-N 1 3 276.380 2.142 20 10 CECDHO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1[O-] ZINC000873293112 649629894 /nfs/dbraw/zinc/62/98/94/649629894.db2.gz XZHPTTMJNWCRHS-KBPBESRZSA-N 1 3 290.407 2.202 20 10 CECDHO COc1cccc(CN(C)CC[C@@H]([NH3+])C(C)C)c1O ZINC000133338369 652621640 /nfs/dbraw/zinc/62/16/40/652621640.db2.gz MUJPZSWHKQUZNB-CYBMUJFWSA-N 1 3 266.385 2.206 20 10 CECDHO COc1cc(C[N@H+](C)CC2CC2)cc(C[NH+](C)C)c1[O-] ZINC001139253537 815996970 /nfs/dbraw/zinc/99/69/70/815996970.db2.gz XPWGCMLDVSIALO-UHFFFAOYSA-N 1 3 278.396 2.304 20 10 CECDHO COc1cc(C[N@@H+](C)CC2CC2)cc(C[NH+](C)C)c1[O-] ZINC001139253537 815996974 /nfs/dbraw/zinc/99/69/74/815996974.db2.gz XPWGCMLDVSIALO-UHFFFAOYSA-N 1 3 278.396 2.304 20 10 CECDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000037644007 521717751 /nfs/dbraw/zinc/71/77/51/521717751.db2.gz XEGHISNCAZAXPC-QWHCGFSZSA-N 1 3 278.396 2.393 20 10 CECDHO [O-]c1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278468214 526371541 /nfs/dbraw/zinc/37/15/41/526371541.db2.gz GNQRZURQANXQQN-UHFFFAOYSA-N 1 3 260.381 2.356 20 10 CECDHO CCN(CC)c1ccc(CN[C@H](C)CC[NH3+])cc1F ZINC000841049749 632353649 /nfs/dbraw/zinc/35/36/49/632353649.db2.gz GXAYVWPXLUYWAJ-GFCCVEGCSA-N 1 3 267.392 2.499 20 10 CECDHO CCO[C@H](CN[C@@H](C)c1cc(C)ccc1O)C[NH+](C)C ZINC000926962647 632390095 /nfs/dbraw/zinc/39/00/95/632390095.db2.gz RKLABNPWMXQYBD-UONOGXRCSA-N 1 3 280.412 2.318 20 10 CECDHO Nc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000817956215 633799390 /nfs/dbraw/zinc/79/93/90/633799390.db2.gz TZCPJOUWFIERLR-JKSUJKDBSA-N 1 3 259.397 2.028 20 10 CECDHO Nc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000817956215 633799392 /nfs/dbraw/zinc/79/93/92/633799392.db2.gz TZCPJOUWFIERLR-JKSUJKDBSA-N 1 3 259.397 2.028 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@H](C[NH3+])CC(C)C)c1 ZINC000817959148 633801697 /nfs/dbraw/zinc/80/16/97/633801697.db2.gz PTWPTJPZAROCHO-RYUDHWBXSA-N 1 3 266.385 2.425 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000817970847 633813390 /nfs/dbraw/zinc/81/33/90/633813390.db2.gz GFJAMLSQVWPGJY-MJVIPROJSA-N 1 3 264.369 2.049 20 10 CECDHO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c([O-])c1 ZINC000817976494 633819726 /nfs/dbraw/zinc/81/97/26/633819726.db2.gz MAVAAACEGPQWON-WFASDCNBSA-N 1 3 260.381 2.493 20 10 CECDHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCCO2)c(O)c1C ZINC000817982242 633825270 /nfs/dbraw/zinc/82/52/70/633825270.db2.gz PSXQDRBTLFCHLM-ZIAGYGMSSA-N 1 3 278.396 2.038 20 10 CECDHO CCOc1cccc(CN[C@H](C[NH3+])C(C)(C)C)c1O ZINC000841088092 637672670 /nfs/dbraw/zinc/67/26/70/637672670.db2.gz WUUZNOXCNJJEBV-CYBMUJFWSA-N 1 3 266.385 2.254 20 10 CECDHO CCC(N)(CC)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841031095 639622323 /nfs/dbraw/zinc/62/23/23/639622323.db2.gz PYZCAGRZBBXJRT-UHFFFAOYSA-N 1 3 282.384 2.017 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000841078143 639647365 /nfs/dbraw/zinc/64/73/65/639647365.db2.gz DSLZRRLCNGHWTK-ZDUSSCGKSA-N 1 3 296.798 2.286 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c([O-])c1 ZINC000843123456 640291228 /nfs/dbraw/zinc/29/12/28/640291228.db2.gz JOXDELFACMPMOH-CQSZACIVSA-N 1 3 278.396 2.494 20 10 CECDHO CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c([O-])c1 ZINC000843123456 640291234 /nfs/dbraw/zinc/29/12/34/640291234.db2.gz JOXDELFACMPMOH-CQSZACIVSA-N 1 3 278.396 2.494 20 10 CECDHO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCNC1 ZINC001246173434 813718240 /nfs/dbraw/zinc/71/82/40/813718240.db2.gz HBLPUJGYGHIDPX-OAHLLOKOSA-N 1 3 259.397 2.128 20 10 CECDHO COc1cc(CN2C[C@H]3CC[C@@H]2C3)cc(C[NH+](C)C)c1O ZINC001139258515 815997456 /nfs/dbraw/zinc/99/74/56/815997456.db2.gz QFFJRPXQTOHYMX-SWLSCSKDSA-N 1 3 290.407 2.447 20 10 CECDHO Cc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1[O-] ZINC000124590451 394838954 /nfs/dbraw/zinc/83/89/54/394838954.db2.gz YKPRYUPXFKVFGA-UHFFFAOYSA-N 1 3 262.397 2.474 20 10 CECDHO Cc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1[O-] ZINC000124590451 394838956 /nfs/dbraw/zinc/83/89/56/394838956.db2.gz YKPRYUPXFKVFGA-UHFFFAOYSA-N 1 3 262.397 2.474 20 10 CECDHO COc1ccc(O)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000156093909 524746416 /nfs/dbraw/zinc/74/64/16/524746416.db2.gz CGXRPGNODYLISG-CJNGLKHVSA-N 1 3 290.407 2.317 20 10 CECDHO COc1ccc(O)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000156093909 524746427 /nfs/dbraw/zinc/74/64/27/524746427.db2.gz CGXRPGNODYLISG-CJNGLKHVSA-N 1 3 290.407 2.317 20 10 CECDHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCN3C)CC[N@@H+]1C ZINC000157680437 525443366 /nfs/dbraw/zinc/44/33/66/525443366.db2.gz ADBLIDFOSXVYOJ-CZUORRHYSA-N 1 3 273.424 2.251 20 10 CECDHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCN3C)CC[N@H+]1C ZINC000157680437 525443376 /nfs/dbraw/zinc/44/33/76/525443376.db2.gz ADBLIDFOSXVYOJ-CZUORRHYSA-N 1 3 273.424 2.251 20 10 CECDHO COc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1[O-] ZINC000278497235 526013542 /nfs/dbraw/zinc/01/35/42/526013542.db2.gz MUVQMSQSOPRFFR-UHFFFAOYSA-N 1 3 290.407 2.365 20 10 CECDHO COc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000322848867 632245405 /nfs/dbraw/zinc/24/54/05/632245405.db2.gz OISSSAUTMAODOZ-AGUYFDCRSA-N 1 3 276.380 2.116 20 10 CECDHO COc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000322848867 632245408 /nfs/dbraw/zinc/24/54/08/632245408.db2.gz OISSSAUTMAODOZ-AGUYFDCRSA-N 1 3 276.380 2.116 20 10 CECDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000817887686 633751779 /nfs/dbraw/zinc/75/17/79/633751779.db2.gz CDBBDTVYTMWYMY-ZIAGYGMSSA-N 1 3 293.480 2.455 20 10 CECDHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977751 633821913 /nfs/dbraw/zinc/82/19/13/633821913.db2.gz OCIQQWVBASRZCU-UPJWGTAASA-N 1 3 295.402 2.049 20 10 CECDHO CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC000904410131 635616532 /nfs/dbraw/zinc/61/65/32/635616532.db2.gz BETZLCUHUNJKAY-QWHCGFSZSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC000904410131 635616533 /nfs/dbraw/zinc/61/65/33/635616533.db2.gz BETZLCUHUNJKAY-QWHCGFSZSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c([O-])c1 ZINC000841033071 639625598 /nfs/dbraw/zinc/62/55/98/639625598.db2.gz KABMCBQLZKZCAK-STQMWFEESA-N 1 3 278.396 2.269 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@H](C)CCC[NH3+])c1[O-] ZINC000841078376 639647553 /nfs/dbraw/zinc/64/75/53/639647553.db2.gz CCPYZTQZHSNVOI-SECBINFHSA-N 1 3 272.776 2.271 20 10 CECDHO CCOc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c([O-])c1 ZINC000843129872 640296432 /nfs/dbraw/zinc/29/64/32/640296432.db2.gz SHIIGFHECYENIL-WDEREUQCSA-N 1 3 252.358 2.006 20 10 CECDHO CCOc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1[O-] ZINC000070169570 641639540 /nfs/dbraw/zinc/63/95/40/641639540.db2.gz ADZOBZDLSFJCRC-CYBMUJFWSA-N 1 3 278.396 2.352 20 10 CECDHO CCOc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1[O-] ZINC000070169570 641639559 /nfs/dbraw/zinc/63/95/59/641639559.db2.gz ADZOBZDLSFJCRC-CYBMUJFWSA-N 1 3 278.396 2.352 20 10 CECDHO COc1ccc(N2CC[C@@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000849350813 642340827 /nfs/dbraw/zinc/34/08/27/642340827.db2.gz XFJAOHJUNIWTJI-HUUCEWRRSA-N 1 3 289.423 2.006 20 10 CECDHO CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000757673772 644833729 /nfs/dbraw/zinc/83/37/29/644833729.db2.gz JGOLKUQBSCDHAZ-CQSZACIVSA-N 1 3 280.412 2.401 20 10 CECDHO C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)c2c1c(F)ccc2[O-] ZINC000774375630 646839706 /nfs/dbraw/zinc/83/97/06/646839706.db2.gz DETWSCQTBCWJOE-DGCLKSJQSA-N 1 3 296.386 2.247 20 10 CECDHO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C)C2)c1O ZINC000872725539 649470187 /nfs/dbraw/zinc/47/01/87/649470187.db2.gz UDNYXLWWAJTPSP-DZGCQCFKSA-N 1 3 290.407 2.235 20 10 CECDHO COc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C)C2)c1O ZINC000872725539 649470191 /nfs/dbraw/zinc/47/01/91/649470191.db2.gz UDNYXLWWAJTPSP-DZGCQCFKSA-N 1 3 290.407 2.235 20 10 CECDHO N[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001118018309 814976577 /nfs/dbraw/zinc/97/65/77/814976577.db2.gz FXYMOUKMYMEBKF-INIZCTEOSA-N 1 3 259.397 2.114 20 10 CECDHO CN(C)c1ccc(C[N@@H+]2CCCCC[C@H](N)C2)cc1 ZINC000709030706 809940579 /nfs/dbraw/zinc/94/05/79/809940579.db2.gz HHOSRDUJRRCSNS-HNNXBMFYSA-N 1 3 261.413 2.456 20 10 CECDHO CN(C)c1ccc(C[N@H+]2CCCCC[C@H](N)C2)cc1 ZINC000709030706 809940583 /nfs/dbraw/zinc/94/05/83/809940583.db2.gz HHOSRDUJRRCSNS-HNNXBMFYSA-N 1 3 261.413 2.456 20 10 CECDHO CCc1cccc(C[N@H+](C)CCCN(C)C)c1O ZINC000821984691 810576934 /nfs/dbraw/zinc/57/69/34/810576934.db2.gz YGMQYRKXPBFAKZ-UHFFFAOYSA-N 1 3 250.386 2.338 20 10 CECDHO CCc1cccc(C[N@@H+](C)CCCN(C)C)c1O ZINC000821984691 810576937 /nfs/dbraw/zinc/57/69/37/810576937.db2.gz YGMQYRKXPBFAKZ-UHFFFAOYSA-N 1 3 250.386 2.338 20 10 CECDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccccc1O ZINC000374890904 374635631 /nfs/dbraw/zinc/63/56/31/374635631.db2.gz FEXGDYVJEXMTIW-VYDXJSESSA-N 1 3 290.407 2.076 20 10 CECDHO CC[N@H+](C)C[C@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000093770584 394668519 /nfs/dbraw/zinc/66/85/19/394668519.db2.gz YQYUJWOLBHSIRM-CQSZACIVSA-N 1 3 262.397 2.474 20 10 CECDHO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000093770584 394668522 /nfs/dbraw/zinc/66/85/22/394668522.db2.gz YQYUJWOLBHSIRM-CQSZACIVSA-N 1 3 262.397 2.474 20 10 CECDHO C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817963558 633804739 /nfs/dbraw/zinc/80/47/39/633804739.db2.gz UXOKONIUMDJKLR-YWVKMMECSA-N 1 3 252.333 2.264 20 10 CECDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCCO2)c(O)c1C ZINC000817982240 633824412 /nfs/dbraw/zinc/82/44/12/633824412.db2.gz PSXQDRBTLFCHLM-KGLIPLIRSA-N 1 3 278.396 2.038 20 10 CECDHO COc1ccc(O)c([C@H](C)NCCC[NH2+]C2CC2)c1 ZINC000817984057 633826488 /nfs/dbraw/zinc/82/64/88/633826488.db2.gz MIENOLUGSGLTKP-NSHDSACASA-N 1 3 264.369 2.194 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]CCC(C)(C)[NH3+])c1[O-] ZINC000903939202 635350062 /nfs/dbraw/zinc/35/00/62/635350062.db2.gz VFOLCOJHAMRGQX-UHFFFAOYSA-N 1 3 272.776 2.271 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c([O-])c1 ZINC000841028715 639621587 /nfs/dbraw/zinc/62/15/87/639621587.db2.gz CPBBMTKNDOJMBH-IUODEOHRSA-N 1 3 278.396 2.398 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1[O-] ZINC000841057296 639635628 /nfs/dbraw/zinc/63/56/28/639635628.db2.gz IWXCDHQJACVKNB-NWDGAFQWSA-N 1 3 284.787 2.414 20 10 CECDHO CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c([O-])c1 ZINC000841057049 639635706 /nfs/dbraw/zinc/63/57/06/639635706.db2.gz HHFXWNBNLHKVNV-ZDUSSCGKSA-N 1 3 264.369 2.023 20 10 CECDHO CCOCc1cc(C[NH2+][C@H](C)[C@H](C)N)ccc1OC ZINC000841079554 639648587 /nfs/dbraw/zinc/64/85/87/639648587.db2.gz KUXUJAQRNYQZTG-NWDGAFQWSA-N 1 3 266.385 2.057 20 10 CECDHO C[C@H]([NH3+])[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843057357 640260353 /nfs/dbraw/zinc/26/03/53/640260353.db2.gz JFMDCUYRDWUUIP-KBSCQGNFSA-N 1 3 273.424 2.435 20 10 CECDHO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877159074 650602952 /nfs/dbraw/zinc/60/29/52/650602952.db2.gz RWLBZJGGUUSUCC-HNNXBMFYSA-N 1 3 280.412 2.147 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000846703815 641403743 /nfs/dbraw/zinc/40/37/43/641403743.db2.gz QLINSTAQXHMYMC-HIFRSBDPSA-N 1 3 261.413 2.373 20 10 CECDHO C[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)N(C)C ZINC000922255629 642985858 /nfs/dbraw/zinc/98/58/58/642985858.db2.gz VKRRESOBHMUEPV-CYBMUJFWSA-N 1 3 262.397 2.441 20 10 CECDHO Cc1ccc([O-])c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268422572 372099785 /nfs/dbraw/zinc/09/97/85/372099785.db2.gz MGKMMOORVJLMED-UHFFFAOYSA-N 1 3 292.423 2.026 20 10 CECDHO Oc1ccccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000179578554 395196914 /nfs/dbraw/zinc/19/69/14/395196914.db2.gz RJSOYCUJRLRVGB-AWEZNQCLSA-N 1 3 260.381 2.310 20 10 CECDHO C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1[O-] ZINC000183496464 395257957 /nfs/dbraw/zinc/25/79/57/395257957.db2.gz LUBBUOAGVUYMCL-HNNXBMFYSA-N 1 3 291.439 2.070 20 10 CECDHO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1[O-] ZINC000183496464 395257960 /nfs/dbraw/zinc/25/79/60/395257960.db2.gz LUBBUOAGVUYMCL-HNNXBMFYSA-N 1 3 291.439 2.070 20 10 CECDHO CCCN(c1ccc(C[NH3+])cc1)C1CCN(C)CC1 ZINC000194979113 521697395 /nfs/dbraw/zinc/69/73/95/521697395.db2.gz VQGPSAUTDIITCW-UHFFFAOYSA-N 1 3 261.413 2.456 20 10 CECDHO COc1ccc(O)c([C@@H](C)NCCC[NH2+]C(C)C)c1 ZINC000817952595 633797554 /nfs/dbraw/zinc/79/75/54/633797554.db2.gz GDPDUNVCVLNTMZ-GFCCVEGCSA-N 1 3 266.385 2.440 20 10 CECDHO CN(C)c1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903955486 635389695 /nfs/dbraw/zinc/38/96/95/635389695.db2.gz STIANXNHTKXPCP-CYBMUJFWSA-N 1 3 283.366 2.087 20 10 CECDHO CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000904411532 635619244 /nfs/dbraw/zinc/61/92/44/635619244.db2.gz LZDJPEGEHMCJTQ-OLZOCXBDSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000904411532 635619245 /nfs/dbraw/zinc/61/92/45/635619245.db2.gz LZDJPEGEHMCJTQ-OLZOCXBDSA-N 1 3 278.396 2.208 20 10 CECDHO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000904411639 635619594 /nfs/dbraw/zinc/61/95/94/635619594.db2.gz ONWKCBXXRSDYTD-QWRGUYRKSA-N 1 3 298.814 2.471 20 10 CECDHO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC000904411639 635619595 /nfs/dbraw/zinc/61/95/95/635619595.db2.gz ONWKCBXXRSDYTD-QWRGUYRKSA-N 1 3 298.814 2.471 20 10 CECDHO COc1cccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087470 637566119 /nfs/dbraw/zinc/56/61/19/637566119.db2.gz OECNJXWKJWMIEP-DZGCQCFKSA-N 1 3 290.407 2.365 20 10 CECDHO COc1cccc([O-])c1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032827 639625282 /nfs/dbraw/zinc/62/52/82/639625282.db2.gz ZMVBFZJUBUWOEA-UHFFFAOYSA-N 1 3 286.375 2.192 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000841083243 639649125 /nfs/dbraw/zinc/64/91/25/639649125.db2.gz ABBGIZPKCOAIOV-BXKDBHETSA-N 1 3 284.787 2.271 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000841083246 639649788 /nfs/dbraw/zinc/64/97/88/639649788.db2.gz ABBGIZPKCOAIOV-SKDRFNHKSA-N 1 3 284.787 2.271 20 10 CECDHO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000841100094 639659285 /nfs/dbraw/zinc/65/92/85/639659285.db2.gz UKZHDDCFTGYOLX-WBVHZDCISA-N 1 3 290.407 2.111 20 10 CECDHO CCOc1ccc(O)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843051475 640255298 /nfs/dbraw/zinc/25/52/98/640255298.db2.gz JEGYIHUOXRWQDR-CHWSQXEVSA-N 1 3 278.396 2.350 20 10 CECDHO [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125599 640292213 /nfs/dbraw/zinc/29/22/13/640292213.db2.gz YMDTWIUXFBFCSA-QWHCGFSZSA-N 1 3 278.371 2.353 20 10 CECDHO [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125599 640292217 /nfs/dbraw/zinc/29/22/17/640292217.db2.gz YMDTWIUXFBFCSA-QWHCGFSZSA-N 1 3 278.371 2.353 20 10 CECDHO CN1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725574 649469886 /nfs/dbraw/zinc/46/98/86/649469886.db2.gz UOQUZFBPQWCJPC-NVXWUHKLSA-N 1 3 286.419 2.407 20 10 CECDHO CN1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725574 649469890 /nfs/dbraw/zinc/46/98/90/649469890.db2.gz UOQUZFBPQWCJPC-NVXWUHKLSA-N 1 3 286.419 2.407 20 10 CECDHO Cc1cc(F)cc(CN2CCC[C@H]([NH3+])CC2)c1O ZINC001205124323 807720797 /nfs/dbraw/zinc/72/07/97/807720797.db2.gz OHEOGNGUIFUAQO-ZDUSSCGKSA-N 1 3 252.333 2.153 20 10 CECDHO C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000392248005 813299467 /nfs/dbraw/zinc/29/94/67/813299467.db2.gz RREZQRCDPMSUSI-CQSZACIVSA-N 1 3 258.365 2.231 20 10 CECDHO C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000392248005 813299471 /nfs/dbraw/zinc/29/94/71/813299471.db2.gz RREZQRCDPMSUSI-CQSZACIVSA-N 1 3 258.365 2.231 20 10 CECDHO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)CN(C)C ZINC000291815677 395167970 /nfs/dbraw/zinc/16/79/70/395167970.db2.gz YOWOFVMLUNBZGY-LBPRGKRZSA-N 1 3 267.392 2.179 20 10 CECDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c(c1)CCN2C ZINC000368734744 524915258 /nfs/dbraw/zinc/91/52/58/524915258.db2.gz ZYOOVWCUZOWFKV-CPUCHLNUSA-N 1 3 287.451 2.497 20 10 CECDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c(c1)CCN2C ZINC000368734744 524915263 /nfs/dbraw/zinc/91/52/63/524915263.db2.gz ZYOOVWCUZOWFKV-CPUCHLNUSA-N 1 3 287.451 2.497 20 10 CECDHO [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236262129 628975246 /nfs/dbraw/zinc/97/52/46/628975246.db2.gz XNLNWSWFIXQOEL-LLVKDONJSA-N 1 3 252.333 2.092 20 10 CECDHO [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236262129 628975248 /nfs/dbraw/zinc/97/52/48/628975248.db2.gz XNLNWSWFIXQOEL-LLVKDONJSA-N 1 3 252.333 2.092 20 10 CECDHO CC1(N2CCC2)CC[NH+](Cc2ccccc2O)CC1 ZINC000895671055 630300914 /nfs/dbraw/zinc/30/09/14/630300914.db2.gz MQFPKHFXMSJPEU-UHFFFAOYSA-N 1 3 260.381 2.452 20 10 CECDHO COc1ccc(O)c(C[N@H+](C)CC(C)(C)CN(C)C)c1 ZINC000898308102 632166386 /nfs/dbraw/zinc/16/63/86/632166386.db2.gz OACWHTIZEVQCGY-UHFFFAOYSA-N 1 3 280.412 2.420 20 10 CECDHO COc1ccc(O)c(C[N@@H+](C)CC(C)(C)CN(C)C)c1 ZINC000898308102 632166390 /nfs/dbraw/zinc/16/63/90/632166390.db2.gz OACWHTIZEVQCGY-UHFFFAOYSA-N 1 3 280.412 2.420 20 10 CECDHO CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000817936589 633787382 /nfs/dbraw/zinc/78/73/82/633787382.db2.gz POLVQGPRRZVUTL-MRXNPFEDSA-N 1 3 291.439 2.037 20 10 CECDHO [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817959507 633801051 /nfs/dbraw/zinc/80/10/51/633801051.db2.gz GTXDJKTUGNJDAL-BFHYXJOUSA-N 1 3 260.381 2.487 20 10 CECDHO COc1ccc(O)c(CN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903959435 635370065 /nfs/dbraw/zinc/37/00/65/635370065.db2.gz HYIHXOTYYICKGO-QGZVFWFLSA-N 1 3 290.407 2.366 20 10 CECDHO Cc1cccc(CNC[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000903954873 635389282 /nfs/dbraw/zinc/38/92/82/635389282.db2.gz HMRHYKRBMXCORS-LBPRGKRZSA-N 1 3 270.323 2.035 20 10 CECDHO COc1cccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087472 637566174 /nfs/dbraw/zinc/56/61/74/637566174.db2.gz OECNJXWKJWMIEP-UKRRQHHQSA-N 1 3 290.407 2.365 20 10 CECDHO CN(C)c1ccc(/C=C\C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000835055175 638040802 /nfs/dbraw/zinc/04/08/02/638040802.db2.gz WFFIVMFQOVURJY-FPXTWJHWSA-N 1 3 285.435 2.259 20 10 CECDHO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000835055175 638040807 /nfs/dbraw/zinc/04/08/07/638040807.db2.gz WFFIVMFQOVURJY-FPXTWJHWSA-N 1 3 285.435 2.259 20 10 CECDHO CC(C)[C@H](N)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841031468 639624084 /nfs/dbraw/zinc/62/40/84/639624084.db2.gz SIGFLESETLRCBR-OGZRUICASA-N 1 3 261.413 2.339 20 10 CECDHO CCOCc1cc(CN[C@@H](C)CC[NH3+])ccc1OC ZINC000841051971 639633688 /nfs/dbraw/zinc/63/36/88/639633688.db2.gz SRHJJLTULHQEQE-LBPRGKRZSA-N 1 3 266.385 2.059 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c([O-])c1 ZINC000841057048 639635214 /nfs/dbraw/zinc/63/52/14/639635214.db2.gz HHFXWNBNLHKVNV-CYBMUJFWSA-N 1 3 264.369 2.023 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1[O-] ZINC000841083244 639649307 /nfs/dbraw/zinc/64/93/07/639649307.db2.gz ABBGIZPKCOAIOV-CABZTGNLSA-N 1 3 284.787 2.271 20 10 CECDHO COc1cccc([O-])c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000841080527 639649578 /nfs/dbraw/zinc/64/95/78/639649578.db2.gz SBCRUHQBQDBLON-NSHDSACASA-N 1 3 252.358 2.008 20 10 CECDHO CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([O-])c1 ZINC000843059727 640262383 /nfs/dbraw/zinc/26/23/83/640262383.db2.gz RBAODYCQKLEMRJ-VBNZEHGJSA-N 1 3 290.407 2.350 20 10 CECDHO CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([O-])c1 ZINC000843059727 640262388 /nfs/dbraw/zinc/26/23/88/640262388.db2.gz RBAODYCQKLEMRJ-VBNZEHGJSA-N 1 3 290.407 2.350 20 10 CECDHO [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125597 640292563 /nfs/dbraw/zinc/29/25/63/640292563.db2.gz YMDTWIUXFBFCSA-CHWSQXEVSA-N 1 3 278.371 2.353 20 10 CECDHO [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125597 640292567 /nfs/dbraw/zinc/29/25/67/640292567.db2.gz YMDTWIUXFBFCSA-CHWSQXEVSA-N 1 3 278.371 2.353 20 10 CECDHO COc1cccc(CNCc2ccc(C[NH3+])cc2F)c1O ZINC000844904385 640860951 /nfs/dbraw/zinc/86/09/51/640860951.db2.gz KAYAGWWWHPXZDU-UHFFFAOYSA-N 1 3 290.338 2.288 20 10 CECDHO CN1CCCc2cc(CN[C@@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000848718426 642110930 /nfs/dbraw/zinc/11/09/30/642110930.db2.gz MOVAWMRTBQAVCR-JKSUJKDBSA-N 1 3 273.424 2.429 20 10 CECDHO C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2c1c(F)ccc2[O-] ZINC000863547162 646753834 /nfs/dbraw/zinc/75/38/34/646753834.db2.gz PRLHORZQYNOWBB-ZYHUDNBSSA-N 1 3 282.359 2.035 20 10 CECDHO C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000863646846 646776196 /nfs/dbraw/zinc/77/61/96/646776196.db2.gz FWOWFDDWIDAJKG-UHFFFAOYSA-N 1 3 286.803 2.022 20 10 CECDHO C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000863646846 646776198 /nfs/dbraw/zinc/77/61/98/646776198.db2.gz FWOWFDDWIDAJKG-UHFFFAOYSA-N 1 3 286.803 2.022 20 10 CECDHO CCOc1cccc(CN2CC[C@H]([NH3+])[C@@H](CC)C2)c1O ZINC000122251443 648225598 /nfs/dbraw/zinc/22/55/98/648225598.db2.gz SUISXPROUVYUGS-JSGCOSHPSA-N 1 3 278.396 2.350 20 10 CECDHO COc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1[O-] ZINC000134006854 366277136 /nfs/dbraw/zinc/27/71/36/366277136.db2.gz AMFIXFNUUIPICH-UHFFFAOYSA-N 1 3 278.396 2.174 20 10 CECDHO COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1[O-] ZINC000134006854 366277144 /nfs/dbraw/zinc/27/71/44/366277144.db2.gz AMFIXFNUUIPICH-UHFFFAOYSA-N 1 3 278.396 2.174 20 10 CECDHO CCOc1cccc(C[N@@H+]2CC[C@H](CN(C)C)C2)c1O ZINC000179633737 368344743 /nfs/dbraw/zinc/34/47/43/368344743.db2.gz YJLCOPSJOBYNCA-CYBMUJFWSA-N 1 3 278.396 2.174 20 10 CECDHO CCOc1cccc(C[N@H+]2CC[C@H](CN(C)C)C2)c1O ZINC000179633737 368344749 /nfs/dbraw/zinc/34/47/49/368344749.db2.gz YJLCOPSJOBYNCA-CYBMUJFWSA-N 1 3 278.396 2.174 20 10 CECDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccccc1O ZINC000374890899 374636046 /nfs/dbraw/zinc/63/60/46/374636046.db2.gz FEXGDYVJEXMTIW-HLLBOEOZSA-N 1 3 290.407 2.076 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1[O-] ZINC000841037411 631998362 /nfs/dbraw/zinc/99/83/62/631998362.db2.gz SRDHUCKAUSYNGQ-SNVBAGLBSA-N 1 3 284.787 2.143 20 10 CECDHO CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC000904410130 635616884 /nfs/dbraw/zinc/61/68/84/635616884.db2.gz BETZLCUHUNJKAY-OLZOCXBDSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC000904410130 635616888 /nfs/dbraw/zinc/61/68/88/635616888.db2.gz BETZLCUHUNJKAY-OLZOCXBDSA-N 1 3 278.396 2.208 20 10 CECDHO Cc1cc(Br)cc(CNC2CC([NH3+])C2)c1O ZINC000906509247 636760638 /nfs/dbraw/zinc/76/06/38/636760638.db2.gz CCIMVGMTPWVSQE-UHFFFAOYSA-N 1 3 285.185 2.042 20 10 CECDHO Cc1cc(Br)cc(CN[C@H]2C[C@H]([NH3+])C2)c1O ZINC000906516308 636764016 /nfs/dbraw/zinc/76/40/16/636764016.db2.gz CCIMVGMTPWVSQE-XYPYZODXSA-N 1 3 285.185 2.042 20 10 CECDHO CN(C)c1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535801 639322285 /nfs/dbraw/zinc/32/22/85/639322285.db2.gz SKVOFSQEJFTLLW-HNNXBMFYSA-N 1 3 261.413 2.184 20 10 CECDHO CN(C)c1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535801 639322289 /nfs/dbraw/zinc/32/22/89/639322289.db2.gz SKVOFSQEJFTLLW-HNNXBMFYSA-N 1 3 261.413 2.184 20 10 CECDHO C[C@H](C[NH3+])CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000841047665 639632251 /nfs/dbraw/zinc/63/22/51/639632251.db2.gz AVCMIVBBEVBVDP-SNVBAGLBSA-N 1 3 289.345 2.456 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1[O-] ZINC000841057298 639635851 /nfs/dbraw/zinc/63/58/51/639635851.db2.gz IWXCDHQJACVKNB-VXGBXAGGSA-N 1 3 284.787 2.414 20 10 CECDHO CN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000843059942 640262733 /nfs/dbraw/zinc/26/27/33/640262733.db2.gz VQTPVOWWXPWHGM-SQWLQELKSA-N 1 3 291.414 2.451 20 10 CECDHO Cc1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923291455 643638039 /nfs/dbraw/zinc/63/80/39/643638039.db2.gz SQMIGAFBIGEWPD-ZFWWWQNUSA-N 1 3 261.413 2.230 20 10 CECDHO COc1cc(O)c(CN(C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000843056760 644766539 /nfs/dbraw/zinc/76/65/39/644766539.db2.gz ZIDVFBBBPFKHMW-ZDUSSCGKSA-N 1 3 296.411 2.215 20 10 CECDHO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000873216316 649593132 /nfs/dbraw/zinc/59/31/32/649593132.db2.gz MSHUAYWOBKMRLP-ATQQARJTSA-N 1 3 273.424 2.292 20 10 CECDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001169090163 811383263 /nfs/dbraw/zinc/38/32/63/811383263.db2.gz HYKDXXSLSFBOJH-PHZGNYQRSA-N 1 3 272.392 2.336 20 10 CECDHO CCN1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069160314 816861655 /nfs/dbraw/zinc/86/16/55/816861655.db2.gz FHTGMFKWMINDTQ-OAHLLOKOSA-N 1 3 274.408 2.443 20 10 CECDHO CN(C)c1ccc(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)cc1 ZINC000924575277 625947281 /nfs/dbraw/zinc/94/72/81/625947281.db2.gz UFKWJZOUVOGLTE-FKEKPDDDSA-N 1 3 273.424 2.182 20 10 CECDHO CN(C)c1ccc(CNC2[C@@H]3CC[C@H]2C[N@H+](C)C3)cc1 ZINC000924575277 625947287 /nfs/dbraw/zinc/94/72/87/625947287.db2.gz UFKWJZOUVOGLTE-FKEKPDDDSA-N 1 3 273.424 2.182 20 10 CECDHO COc1cc(C)cc(CN[C@H](C)CC[NH+](C)C)c1O ZINC000894211262 629229431 /nfs/dbraw/zinc/22/94/31/629229431.db2.gz NBSUGIORCLTKBR-GFCCVEGCSA-N 1 3 266.385 2.139 20 10 CECDHO Cc1cccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843122340 631734582 /nfs/dbraw/zinc/73/45/82/631734582.db2.gz BCMBNHKKAOBEDB-MRXNPFEDSA-N 1 3 260.381 2.276 20 10 CECDHO CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC000904410132 635616758 /nfs/dbraw/zinc/61/67/58/635616758.db2.gz BETZLCUHUNJKAY-STQMWFEESA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC000904410132 635616762 /nfs/dbraw/zinc/61/67/62/635616762.db2.gz BETZLCUHUNJKAY-STQMWFEESA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1cccc(CN[C@@H](C[NH3+])C(C)(C)C)c1O ZINC000841088093 637672968 /nfs/dbraw/zinc/67/29/68/637672968.db2.gz WUUZNOXCNJJEBV-ZDUSSCGKSA-N 1 3 266.385 2.254 20 10 CECDHO CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c([O-])c1 ZINC000841033069 639624978 /nfs/dbraw/zinc/62/49/78/639624978.db2.gz KABMCBQLZKZCAK-OLZOCXBDSA-N 1 3 278.396 2.269 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CCCCCC[NH3+] ZINC000843126495 640293226 /nfs/dbraw/zinc/29/32/26/640293226.db2.gz HFRNCBVCLKILNN-UHFFFAOYSA-N 1 3 252.358 2.010 20 10 CECDHO COc1cccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1O ZINC000862367502 646417796 /nfs/dbraw/zinc/41/77/96/646417796.db2.gz KXKGNLAZHGTMKT-CYBMUJFWSA-N 1 3 278.396 2.363 20 10 CECDHO COc1cccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000862367502 646417804 /nfs/dbraw/zinc/41/78/04/646417804.db2.gz KXKGNLAZHGTMKT-CYBMUJFWSA-N 1 3 278.396 2.363 20 10 CECDHO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cn[nH]c1 ZINC000771859561 646560850 /nfs/dbraw/zinc/56/08/50/646560850.db2.gz UAVROOHKZFGXDE-AWEZNQCLSA-N 1 3 299.422 2.012 20 10 CECDHO C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)c2c1c(F)ccc2[O-] ZINC000774375634 646839368 /nfs/dbraw/zinc/83/93/68/646839368.db2.gz DETWSCQTBCWJOE-YPMHNXCESA-N 1 3 296.386 2.247 20 10 CECDHO C[N@@H+](Cc1cc(F)ccc1[O-])CC1CC[NH+](C)CC1 ZINC000180075511 368366500 /nfs/dbraw/zinc/36/65/00/368366500.db2.gz RUOMXCHZTXIXQE-UHFFFAOYSA-N 1 3 266.360 2.305 20 10 CECDHO C[N@H+](Cc1cc(F)ccc1[O-])CC1CC[NH+](C)CC1 ZINC000180075511 368366504 /nfs/dbraw/zinc/36/65/04/368366504.db2.gz RUOMXCHZTXIXQE-UHFFFAOYSA-N 1 3 266.360 2.305 20 10 CECDHO Cc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCC2)c(O)c1C ZINC000273418186 373755747 /nfs/dbraw/zinc/75/57/47/373755747.db2.gz RLJHUVCDEZGGNN-GJZGRUSLSA-N 1 3 292.423 2.116 20 10 CECDHO Cc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1O ZINC000124702933 394839898 /nfs/dbraw/zinc/83/98/98/394839898.db2.gz QKAZUCIAMNGAQA-CYBMUJFWSA-N 1 3 260.381 2.275 20 10 CECDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c(c1)CCN2C ZINC000368734746 524910213 /nfs/dbraw/zinc/91/02/13/524910213.db2.gz ZYOOVWCUZOWFKV-KEYYUXOJSA-N 1 3 287.451 2.497 20 10 CECDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c(c1)CCN2C ZINC000368734746 524910225 /nfs/dbraw/zinc/91/02/25/524910225.db2.gz ZYOOVWCUZOWFKV-KEYYUXOJSA-N 1 3 287.451 2.497 20 10 CECDHO C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925790561 628835144 /nfs/dbraw/zinc/83/51/44/628835144.db2.gz ISWPUUKSPNCHEI-IPYPFGDCSA-N 1 3 261.413 2.259 20 10 CECDHO CSC1(C[NH2+]Cc2cc(F)ccc2[O-])CC[NH+](C)CC1 ZINC000811513890 632394879 /nfs/dbraw/zinc/39/48/79/632394879.db2.gz UXWUHHBQUMFBDK-UHFFFAOYSA-N 1 3 298.427 2.448 20 10 CECDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897884 633759710 /nfs/dbraw/zinc/75/97/10/633759710.db2.gz CXUXBGIUCJHDMD-HZPDHXFCSA-N 1 3 259.397 2.256 20 10 CECDHO Cc1cc(Br)cc([C@H](C)NC[C@H](C)[NH3+])c1O ZINC000817972966 633815856 /nfs/dbraw/zinc/81/58/56/633815856.db2.gz QOSBBBDICBZVED-IUCAKERBSA-N 1 3 287.201 2.461 20 10 CECDHO C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1[O-])CC[NH2+]CC2 ZINC000818431356 633921015 /nfs/dbraw/zinc/92/10/15/633921015.db2.gz JTXZYJLALBWMRQ-CYBMUJFWSA-N 1 3 260.381 2.356 20 10 CECDHO C[C@@H]1CC2(C[N@H+]1Cc1ccccc1[O-])CC[NH2+]CC2 ZINC000818431356 633921017 /nfs/dbraw/zinc/92/10/17/633921017.db2.gz JTXZYJLALBWMRQ-CYBMUJFWSA-N 1 3 260.381 2.356 20 10 CECDHO CN(C)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000841056961 639634888 /nfs/dbraw/zinc/63/48/88/639634888.db2.gz GHHHPHFILQXGPU-QWHCGFSZSA-N 1 3 265.376 2.251 20 10 CECDHO Cc1cc(N(C)C)ccc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000843113992 640285319 /nfs/dbraw/zinc/28/53/19/640285319.db2.gz FFWARKBJCWQSNK-INIZCTEOSA-N 1 3 261.413 2.232 20 10 CECDHO C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@H]1CC[NH3+] ZINC000844902557 640860560 /nfs/dbraw/zinc/86/05/60/640860560.db2.gz QPALCNXJJMNRJU-AAEUAGOBSA-N 1 3 292.379 2.070 20 10 CECDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000844909973 640862912 /nfs/dbraw/zinc/86/29/12/640862912.db2.gz FWWXHOBGLXYQRJ-INMHGKMJSA-N 1 3 290.407 2.253 20 10 CECDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2[O-])C1 ZINC000844909973 640862919 /nfs/dbraw/zinc/86/29/19/640862919.db2.gz FWWXHOBGLXYQRJ-INMHGKMJSA-N 1 3 290.407 2.253 20 10 CECDHO C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000848558326 642052596 /nfs/dbraw/zinc/05/25/96/642052596.db2.gz OSCPPNPPFODKLT-KWCYVHTRSA-N 1 3 260.381 2.309 20 10 CECDHO CC(C)N(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851951561 643240138 /nfs/dbraw/zinc/24/01/38/643240138.db2.gz YUDZSYZVWRDYOU-PBHICJAKSA-N 1 3 293.455 2.104 20 10 CECDHO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cn[nH]c1 ZINC000771859563 646561077 /nfs/dbraw/zinc/56/10/77/646561077.db2.gz UAVROOHKZFGXDE-CQSZACIVSA-N 1 3 299.422 2.012 20 10 CECDHO C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC[NH2+]CC1 ZINC000873272594 649620446 /nfs/dbraw/zinc/62/04/46/649620446.db2.gz VBMJQBUSPJRNRN-SMDDNHRTSA-N 1 3 260.381 2.357 20 10 CECDHO CN1CCCc2cc(CN3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206163355 815349549 /nfs/dbraw/zinc/34/95/49/815349549.db2.gz BUPFADBAAHPETF-JKSUJKDBSA-N 1 3 291.414 2.330 20 10 CECDHO Cc1ccc([O-])c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000133999272 366276959 /nfs/dbraw/zinc/27/69/59/366276959.db2.gz WJWMTBQAWFPGAG-UHFFFAOYSA-N 1 3 262.397 2.474 20 10 CECDHO Cc1ccc([O-])c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000133999272 366276967 /nfs/dbraw/zinc/27/69/67/366276967.db2.gz WJWMTBQAWFPGAG-UHFFFAOYSA-N 1 3 262.397 2.474 20 10 CECDHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCN3C)CC[N@@H+]1C ZINC000157680871 524807260 /nfs/dbraw/zinc/80/72/60/524807260.db2.gz ADBLIDFOSXVYOJ-BBRMVZONSA-N 1 3 273.424 2.251 20 10 CECDHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCN3C)CC[N@H+]1C ZINC000157680871 524807271 /nfs/dbraw/zinc/80/72/71/524807271.db2.gz ADBLIDFOSXVYOJ-BBRMVZONSA-N 1 3 273.424 2.251 20 10 CECDHO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1[O-] ZINC000925798314 628844927 /nfs/dbraw/zinc/84/49/27/628844927.db2.gz QOLGCCABIUNGHV-GRYCIOLGSA-N 1 3 266.360 2.428 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970772 633813925 /nfs/dbraw/zinc/81/39/25/633813925.db2.gz DWGUFMMGPJRVTO-SRVKXCTJSA-N 1 3 264.369 2.192 20 10 CECDHO CCOc1ccc(O)c(CN[C@H](C[NH3+])CC(C)C)c1 ZINC000841038211 639628443 /nfs/dbraw/zinc/62/84/43/639628443.db2.gz HFJCLLFBUVCORV-ZDUSSCGKSA-N 1 3 266.385 2.254 20 10 CECDHO COc1cccc(CN[C@H](C[NH3+])C2CCCCC2)c1O ZINC000841039244 639629742 /nfs/dbraw/zinc/62/97/42/639629742.db2.gz GSTDJXQMIIVVNF-CQSZACIVSA-N 1 3 278.396 2.398 20 10 CECDHO Cc1cccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843118272 640288376 /nfs/dbraw/zinc/28/83/76/640288376.db2.gz GGJDDCMBAGXEGM-MRXNPFEDSA-N 1 3 260.381 2.276 20 10 CECDHO C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC[NH2+]CC1 ZINC000873272592 649620254 /nfs/dbraw/zinc/62/02/54/649620254.db2.gz VBMJQBUSPJRNRN-FZMZJTMJSA-N 1 3 260.381 2.357 20 10 CECDHO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C[NH3+] ZINC000397304689 813611696 /nfs/dbraw/zinc/61/16/96/813611696.db2.gz GHDXMDMMJZUQEV-NQBHXWOUSA-N 1 3 266.360 2.337 20 10 CECDHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C[NH3+] ZINC000397304689 813611703 /nfs/dbraw/zinc/61/17/03/813611703.db2.gz GHDXMDMMJZUQEV-NQBHXWOUSA-N 1 3 266.360 2.337 20 10 CECDHO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1[O-] ZINC000183544380 395259401 /nfs/dbraw/zinc/25/94/01/395259401.db2.gz DMNDDVIVQONJHR-CQSZACIVSA-N 1 3 291.439 2.069 20 10 CECDHO CC[N@H+](CCCN(C)C)Cc1cc(OC)c(OC)cc1O ZINC000289525739 521010775 /nfs/dbraw/zinc/01/07/75/521010775.db2.gz VSSVKWHPDNGABC-UHFFFAOYSA-N 1 3 296.411 2.183 20 10 CECDHO CC[N@@H+](CCCN(C)C)Cc1cc(OC)c(OC)cc1O ZINC000289525739 521010783 /nfs/dbraw/zinc/01/07/83/521010783.db2.gz VSSVKWHPDNGABC-UHFFFAOYSA-N 1 3 296.411 2.183 20 10 CECDHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2c1c(F)ccc2[O-] ZINC000902484174 634700971 /nfs/dbraw/zinc/70/09/71/634700971.db2.gz FEPMMTPYZONUNW-GMOBBJLQSA-N 1 3 264.344 2.407 20 10 CECDHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817901282 633761871 /nfs/dbraw/zinc/76/18/71/633761871.db2.gz AQKZOKVDZOIHIH-HUUCEWRRSA-N 1 3 260.381 2.371 20 10 CECDHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946161 633793776 /nfs/dbraw/zinc/79/37/76/633793776.db2.gz SRKYJKAKMOZYEQ-KGLIPLIRSA-N 1 3 261.413 2.403 20 10 CECDHO COc1ccc(O)c([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000817966868 633809510 /nfs/dbraw/zinc/80/95/10/633809510.db2.gz XFKMNWZYEBMCJH-LRDDRELGSA-N 1 3 278.396 2.441 20 10 CECDHO COc1ccc(O)c([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000817966870 633810258 /nfs/dbraw/zinc/81/02/58/633810258.db2.gz XFKMNWZYEBMCJH-WBMJQRKESA-N 1 3 278.396 2.441 20 10 CECDHO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355010 635586650 /nfs/dbraw/zinc/58/66/50/635586650.db2.gz JSYYZLDTDMWJMZ-DOMZBBRYSA-N 1 3 260.381 2.099 20 10 CECDHO CCOc1cccc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)c1O ZINC000226010177 639518504 /nfs/dbraw/zinc/51/85/04/639518504.db2.gz SUISXPROUVYUGS-GXTWGEPZSA-N 1 3 278.396 2.350 20 10 CECDHO COc1ccc(N2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000841026527 639620603 /nfs/dbraw/zinc/62/06/03/639620603.db2.gz GVJBYEDOOTYYEC-UHFFFAOYSA-N 1 3 289.423 2.006 20 10 CECDHO CN(C)c1ccc(/C=C\C[NH2+]CC2(N)CCC2)cc1 ZINC000841049481 639632026 /nfs/dbraw/zinc/63/20/26/639632026.db2.gz SCLOCNBAHZACOI-HYXAFXHYSA-N 1 3 259.397 2.237 20 10 CECDHO C[C@H](C[NH3+])CNCc1ccc(N2CCCCC2)cc1 ZINC000841050169 639633195 /nfs/dbraw/zinc/63/31/95/639633195.db2.gz YRJGZQPZFCINBJ-CQSZACIVSA-N 1 3 261.413 2.361 20 10 CECDHO CCOc1cccc(CN[C@@H]2CCC[NH2+]CC2)c1O ZINC000841058656 639636634 /nfs/dbraw/zinc/63/66/34/639636634.db2.gz UXHUFAKONRKDOE-CYBMUJFWSA-N 1 3 264.369 2.023 20 10 CECDHO CCOc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c([O-])c1 ZINC000841073792 639644491 /nfs/dbraw/zinc/64/44/91/639644491.db2.gz YNDSEMREAACRRW-CQSZACIVSA-N 1 3 278.396 2.413 20 10 CECDHO CCOc1ccc(O)c(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000841100812 639662215 /nfs/dbraw/zinc/66/22/15/639662215.db2.gz KPQKJDHVXKXCBT-OCCSQVGLSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c([O-])c1 ZINC000843123452 640290955 /nfs/dbraw/zinc/29/09/55/640290955.db2.gz JOXDELFACMPMOH-AWEZNQCLSA-N 1 3 278.396 2.494 20 10 CECDHO CCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c([O-])c1 ZINC000843123452 640290959 /nfs/dbraw/zinc/29/09/59/640290959.db2.gz JOXDELFACMPMOH-AWEZNQCLSA-N 1 3 278.396 2.494 20 10 CECDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846142291 641198627 /nfs/dbraw/zinc/19/86/27/641198627.db2.gz ZVKIHDFJTONYLT-STQMWFEESA-N 1 3 278.396 2.393 20 10 CECDHO COc1ccc(O)c(CN2CCCC[C@H]2CC[NH3+])c1 ZINC000070148650 641637212 /nfs/dbraw/zinc/63/72/12/641637212.db2.gz QYNAFVNGDSFMBN-ZDUSSCGKSA-N 1 3 264.369 2.104 20 10 CECDHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2c1c(F)ccc2[O-] ZINC000873250445 649609477 /nfs/dbraw/zinc/60/94/77/649609477.db2.gz HRGDXMLYXKFHRT-MWGHHZFTSA-N 1 3 264.344 2.407 20 10 CECDHO COc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1C ZINC000697874464 806718583 /nfs/dbraw/zinc/71/85/83/806718583.db2.gz YXQPQRGGFXZYFR-CYBMUJFWSA-N 1 3 250.386 2.433 20 10 CECDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956852 633800095 /nfs/dbraw/zinc/80/00/95/633800095.db2.gz FEAIAAWSZAODIW-LBPRGKRZSA-N 1 3 284.407 2.324 20 10 CECDHO Cc1cc(Br)cc([C@H](C)NCC2C[NH2+]C2)c1O ZINC000817964756 633805890 /nfs/dbraw/zinc/80/58/90/633805890.db2.gz HAIQURYTSZJDCR-VIFPVBQESA-N 1 3 299.212 2.333 20 10 CECDHO COc1cccc([O-])c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818431223 633921169 /nfs/dbraw/zinc/92/11/69/633921169.db2.gz HBBUOELCRMBDBT-ZDUSSCGKSA-N 1 3 290.407 2.365 20 10 CECDHO COc1cccc([O-])c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818431223 633921172 /nfs/dbraw/zinc/92/11/72/633921172.db2.gz HBBUOELCRMBDBT-ZDUSSCGKSA-N 1 3 290.407 2.365 20 10 CECDHO [NH3+][C@H]1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000904355638 635587802 /nfs/dbraw/zinc/58/78/02/635587802.db2.gz PXCUKVVLEFAQAP-LSDHHAIUSA-N 1 3 260.381 2.371 20 10 CECDHO CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC000904410129 635616946 /nfs/dbraw/zinc/61/69/46/635616946.db2.gz BETZLCUHUNJKAY-CHWSQXEVSA-N 1 3 278.396 2.208 20 10 CECDHO CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([O-])c1 ZINC000904410129 635616948 /nfs/dbraw/zinc/61/69/48/635616948.db2.gz BETZLCUHUNJKAY-CHWSQXEVSA-N 1 3 278.396 2.208 20 10 CECDHO CCCC[C@H](C[NH3+])NCc1cc(OCC)ccc1O ZINC000841030230 639622448 /nfs/dbraw/zinc/62/24/48/639622448.db2.gz VCDZCCZEUKIAEU-CYBMUJFWSA-N 1 3 266.385 2.398 20 10 CECDHO CC(C)[C@@H](N)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841031466 639624248 /nfs/dbraw/zinc/62/42/48/639624248.db2.gz SIGFLESETLRCBR-JFDDCEBESA-N 1 3 261.413 2.339 20 10 CECDHO C[C@@H]1C[C@H](C[NH3+])CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843058698 640261914 /nfs/dbraw/zinc/26/19/14/640261914.db2.gz WHAMBXSFODACND-ATQQARJTSA-N 1 3 273.424 2.435 20 10 CECDHO [O-]c1ccc(F)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843126771 640293117 /nfs/dbraw/zinc/29/31/17/640293117.db2.gz MZJBFRNTKLUUSX-ZDUSSCGKSA-N 1 3 278.371 2.353 20 10 CECDHO COc1cc(Cl)cc(C[NH2+]CCC2(C[NH3+])CC2)c1[O-] ZINC000844903869 640861371 /nfs/dbraw/zinc/86/13/71/640861371.db2.gz QKVSDZVGXSPEDR-UHFFFAOYSA-N 1 3 284.787 2.273 20 10 CECDHO COc1ccc(O)c(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858137163 645071996 /nfs/dbraw/zinc/07/19/96/645071996.db2.gz HXMJMCUWKAFDPJ-ZDUSSCGKSA-N 1 3 278.396 2.363 20 10 CECDHO COc1ccc(O)c(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858137163 645072006 /nfs/dbraw/zinc/07/20/06/645072006.db2.gz HXMJMCUWKAFDPJ-ZDUSSCGKSA-N 1 3 278.396 2.363 20 10 CECDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCCC[NH3+])c1[O-] ZINC000863544987 646752884 /nfs/dbraw/zinc/75/28/84/646752884.db2.gz GIMOHTHKFCGRLN-LLVKDONJSA-N 1 3 286.803 2.370 20 10 CECDHO [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000873239200 649605347 /nfs/dbraw/zinc/60/53/47/649605347.db2.gz PKLGUJZPILAVNY-UBHSHLNASA-N 1 3 260.381 2.487 20 10 CECDHO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2c1c(F)ccc2[O-] ZINC000873250447 649609198 /nfs/dbraw/zinc/60/91/98/649609198.db2.gz HRGDXMLYXKFHRT-SVDPJWKOSA-N 1 3 264.344 2.407 20 10 CECDHO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1[O-] ZINC000723698483 802926073 /nfs/dbraw/zinc/92/60/73/802926073.db2.gz HHQAPVZGYUSNLS-JTQLQIEISA-N 1 3 284.787 2.225 20 10 CECDHO COc1cc(Cl)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1[O-] ZINC000723698483 802926079 /nfs/dbraw/zinc/92/60/79/802926079.db2.gz HHQAPVZGYUSNLS-JTQLQIEISA-N 1 3 284.787 2.225 20 10 CECDHO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C[NH3+] ZINC000397304691 813611933 /nfs/dbraw/zinc/61/19/33/813611933.db2.gz GHDXMDMMJZUQEV-NTZNESFSSA-N 1 3 266.360 2.337 20 10 CECDHO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C[NH3+] ZINC000397304691 813611936 /nfs/dbraw/zinc/61/19/36/813611936.db2.gz GHDXMDMMJZUQEV-NTZNESFSSA-N 1 3 266.360 2.337 20 10 CECDHO Cc1ccc(O)c(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000120856177 816359879 /nfs/dbraw/zinc/35/98/79/816359879.db2.gz SLOOJOPINQXNKY-UHFFFAOYSA-N 1 3 283.375 2.418 20 10 CECDHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2c1c(F)ccc2[O-] ZINC000902484175 634700582 /nfs/dbraw/zinc/70/05/82/634700582.db2.gz FEPMMTPYZONUNW-QFOLPQNPSA-N 1 3 264.344 2.407 20 10 CECDHO COc1ccc(O)c(C[NH+]2CCC(C)(N3CCC3)CC2)c1 ZINC000895669683 630299527 /nfs/dbraw/zinc/29/95/27/630299527.db2.gz AOXQZDSOFYHKJJ-UHFFFAOYSA-N 1 3 290.407 2.461 20 10 CECDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)CCCN2C ZINC000817901702 633762880 /nfs/dbraw/zinc/76/28/80/633762880.db2.gz XBUSXGJDFGHRBE-QWHCGFSZSA-N 1 3 261.413 2.284 20 10 CECDHO C[C@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1[O-])CC[NH2+]CC2 ZINC000818431373 633920679 /nfs/dbraw/zinc/92/06/79/633920679.db2.gz KALVTDDDZMJWTD-LBPRGKRZSA-N 1 3 278.371 2.495 20 10 CECDHO C[C@H]1CC2(C[N@H+]1Cc1cc(F)ccc1[O-])CC[NH2+]CC2 ZINC000818431373 633920682 /nfs/dbraw/zinc/92/06/82/633920682.db2.gz KALVTDDDZMJWTD-LBPRGKRZSA-N 1 3 278.371 2.495 20 10 CECDHO [O-]c1ccccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960166 635370013 /nfs/dbraw/zinc/37/00/13/635370013.db2.gz YCWKMMZEKKGISN-MRXNPFEDSA-N 1 3 260.381 2.358 20 10 CECDHO [O-]c1ccccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960166 635370016 /nfs/dbraw/zinc/37/00/16/635370016.db2.gz YCWKMMZEKKGISN-MRXNPFEDSA-N 1 3 260.381 2.358 20 10 CECDHO Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876940375 650497248 /nfs/dbraw/zinc/49/72/48/650497248.db2.gz SFBCEJXPTXVOBU-GJZGRUSLSA-N 1 3 260.381 2.417 20 10 CECDHO Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876940375 650497249 /nfs/dbraw/zinc/49/72/49/650497249.db2.gz SFBCEJXPTXVOBU-GJZGRUSLSA-N 1 3 260.381 2.417 20 10 CECDHO COc1cccc(CN[C@@H](C[NH3+])C2CCCCC2)c1O ZINC000841039243 639629851 /nfs/dbraw/zinc/62/98/51/639629851.db2.gz GSTDJXQMIIVVNF-AWEZNQCLSA-N 1 3 278.396 2.398 20 10 CECDHO CCN(CC)c1ccc(CNC[C@H](C)C[NH3+])cc1F ZINC000841049475 639631853 /nfs/dbraw/zinc/63/18/53/639631853.db2.gz RYPGRGSEPZJLIV-GFCCVEGCSA-N 1 3 267.392 2.356 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841071811 639643500 /nfs/dbraw/zinc/64/35/00/639643500.db2.gz BWXYCQQSAUUWGZ-LBPRGKRZSA-N 1 3 264.369 2.023 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c([O-])c1 ZINC000841078383 639646782 /nfs/dbraw/zinc/64/67/82/639646782.db2.gz CEPNAIQQRWCPCW-NSHDSACASA-N 1 3 252.358 2.008 20 10 CECDHO CCOCc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000843129883 640296133 /nfs/dbraw/zinc/29/61/33/640296133.db2.gz SRPOCXLNAKUPHH-QWHCGFSZSA-N 1 3 280.412 2.447 20 10 CECDHO C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2c1c(F)ccc2[O-] ZINC000863547160 646753787 /nfs/dbraw/zinc/75/37/87/646753787.db2.gz PRLHORZQYNOWBB-PWSUYJOCSA-N 1 3 282.359 2.035 20 10 CECDHO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000873216320 649593062 /nfs/dbraw/zinc/59/30/62/649593062.db2.gz MSHUAYWOBKMRLP-RCELQXLSSA-N 1 3 273.424 2.292 20 10 CECDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CNCCCO1 ZINC001118122141 814985937 /nfs/dbraw/zinc/98/59/37/814985937.db2.gz PUSYVMWWCQJUSB-RDBSUJKOSA-N 1 3 290.407 2.217 20 10 CECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H]3C)cc2)CC1 ZINC001140302479 816227497 /nfs/dbraw/zinc/22/74/97/816227497.db2.gz RWLBULJQRMJROA-OAHLLOKOSA-N 1 3 273.424 2.423 20 10 CECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H]3C)cc2)CC1 ZINC001140302479 816227504 /nfs/dbraw/zinc/22/75/04/816227504.db2.gz RWLBULJQRMJROA-OAHLLOKOSA-N 1 3 273.424 2.423 20 10 CECDHO COc1ccc(O)c(CNC[C@H](C)C[NH+]2CCCC2)c1 ZINC000062077259 524753725 /nfs/dbraw/zinc/75/37/25/524753725.db2.gz FUNWYIXMRDVXGT-ZDUSSCGKSA-N 1 3 278.396 2.222 20 10 CECDHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1C ZINC000310793637 627283510 /nfs/dbraw/zinc/28/35/10/627283510.db2.gz VLOGCVBBROOUII-LBPRGKRZSA-N 1 3 250.386 2.291 20 10 CECDHO C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163436802 631575090 /nfs/dbraw/zinc/57/50/90/631575090.db2.gz YVVYBSYCBBGLND-HIFRSBDPSA-N 1 3 261.413 2.169 20 10 CECDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000817901938 633762972 /nfs/dbraw/zinc/76/29/72/633762972.db2.gz ZUUOWWDEFXQYFE-QWRGUYRKSA-N 1 3 253.365 2.107 20 10 CECDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCC[NH3+])c1[O-] ZINC000817938009 633787722 /nfs/dbraw/zinc/78/77/22/633787722.db2.gz BFNRXVFEZRTLLE-VIFPVBQESA-N 1 3 287.201 2.463 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000817947114 633793389 /nfs/dbraw/zinc/79/33/89/633793389.db2.gz KOEKPIWTHAUCCX-AVGNSLFASA-N 1 3 278.396 2.440 20 10 CECDHO COCC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC[NH2+]CC1 ZINC000817975683 633818661 /nfs/dbraw/zinc/81/86/61/633818661.db2.gz XTYXRRPRGAXEME-AWEZNQCLSA-N 1 3 292.423 2.367 20 10 CECDHO [NH3+][C@H]1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000904355631 635587676 /nfs/dbraw/zinc/58/76/76/635587676.db2.gz PXCUKVVLEFAQAP-GJZGRUSLSA-N 1 3 260.381 2.371 20 10 CECDHO Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c([O-])c1 ZINC000876577219 650341319 /nfs/dbraw/zinc/34/13/19/650341319.db2.gz YGACUJWANPUKQI-UHFFFAOYSA-N 1 3 262.397 2.474 20 10 CECDHO COC[C@H](CC(C)C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045919 639630984 /nfs/dbraw/zinc/63/09/84/639630984.db2.gz SQQATQOLHWBISW-RDJZCZTQSA-N 1 3 293.455 2.403 20 10 CECDHO [NH3+]C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843048731 640253841 /nfs/dbraw/zinc/25/38/41/640253841.db2.gz UXGDILBKKWZJIP-INIZCTEOSA-N 1 3 273.424 2.458 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1[O-] ZINC000843129891 640296496 /nfs/dbraw/zinc/29/64/96/640296496.db2.gz SRXJBXQYGXYVLA-DTWKUNHWSA-N 1 3 272.776 2.270 20 10 CECDHO COCC[N@H+](C)CCCNCc1ccc2c(c1)CCCO2 ZINC000921524368 642190348 /nfs/dbraw/zinc/19/03/48/642190348.db2.gz MEPYSXCRLAXDMC-UHFFFAOYSA-N 1 3 292.423 2.070 20 10 CECDHO COCC[N@@H+](C)CCCNCc1ccc2c(c1)CCCO2 ZINC000921524368 642190350 /nfs/dbraw/zinc/19/03/50/642190350.db2.gz MEPYSXCRLAXDMC-UHFFFAOYSA-N 1 3 292.423 2.070 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000839183829 644182092 /nfs/dbraw/zinc/18/20/92/644182092.db2.gz ZQXBQWNIDGBIKD-ZDUSSCGKSA-N 1 3 278.396 2.222 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183829 644182094 /nfs/dbraw/zinc/18/20/94/644182094.db2.gz ZQXBQWNIDGBIKD-ZDUSSCGKSA-N 1 3 278.396 2.222 20 10 CECDHO COc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@H](CCN3C)C2)c1O ZINC000872725540 649470168 /nfs/dbraw/zinc/47/01/68/649470168.db2.gz UDNYXLWWAJTPSP-HIFRSBDPSA-N 1 3 290.407 2.235 20 10 CECDHO COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](CCN3C)C2)c1O ZINC000872725540 649470172 /nfs/dbraw/zinc/47/01/72/649470172.db2.gz UDNYXLWWAJTPSP-HIFRSBDPSA-N 1 3 290.407 2.235 20 10 CECDHO CCOc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c([O-])c1 ZINC000873220286 649595345 /nfs/dbraw/zinc/59/53/45/649595345.db2.gz ILBGGBBSQUDYBM-GFCCVEGCSA-N 1 3 278.396 2.269 20 10 CECDHO CC[NH+]1CCC(N(C)Cc2cc(OC)ccc2O)CC1 ZINC000131570254 652437674 /nfs/dbraw/zinc/43/76/74/652437674.db2.gz MZWQZRVBYMAKNT-UHFFFAOYSA-N 1 3 278.396 2.317 20 10 CECDHO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1[O-] ZINC000183496483 395258034 /nfs/dbraw/zinc/25/80/34/395258034.db2.gz LUBBUOAGVUYMCL-OAHLLOKOSA-N 1 3 291.439 2.070 20 10 CECDHO C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1[O-] ZINC000183496483 395258035 /nfs/dbraw/zinc/25/80/35/395258035.db2.gz LUBBUOAGVUYMCL-OAHLLOKOSA-N 1 3 291.439 2.070 20 10 CECDHO COc1cccc(CNC[C@@H](C)C[NH+]2CCCC2)c1O ZINC000060942120 526019210 /nfs/dbraw/zinc/01/92/10/526019210.db2.gz XJDZKRIYKDCNHI-CYBMUJFWSA-N 1 3 278.396 2.222 20 10 CECDHO CCOc1ccc(O)c(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000841033732 631834792 /nfs/dbraw/zinc/83/47/92/631834792.db2.gz VEPZQUCIUWJKCM-CHWSQXEVSA-N 1 3 278.396 2.269 20 10 CECDHO CCOc1ccc(O)c(CNC2(C)CC[NH2+]CC2)c1 ZINC000841065044 632401922 /nfs/dbraw/zinc/40/19/22/632401922.db2.gz LNMNFUBYTPUCCC-UHFFFAOYSA-N 1 3 264.369 2.023 20 10 CECDHO [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817959510 633800709 /nfs/dbraw/zinc/80/07/09/633800709.db2.gz GTXDJKTUGNJDAL-MELADBBJSA-N 1 3 260.381 2.487 20 10 CECDHO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817968718 633811299 /nfs/dbraw/zinc/81/12/99/633811299.db2.gz WLFIBORXJCDFAC-JTQLQIEISA-N 1 3 250.317 2.102 20 10 CECDHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCCO2)c(O)c1C ZINC000817982239 633824661 /nfs/dbraw/zinc/82/46/61/633824661.db2.gz PSXQDRBTLFCHLM-KBPBESRZSA-N 1 3 278.396 2.038 20 10 CECDHO [NH3+][C@@H]1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000904355627 635588160 /nfs/dbraw/zinc/58/81/60/635588160.db2.gz PXCUKVVLEFAQAP-CABCVRRESA-N 1 3 260.381 2.371 20 10 CECDHO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000841051623 639633317 /nfs/dbraw/zinc/63/33/17/639633317.db2.gz SVVAYTBAEWVNOF-CWDCEQMOSA-N 1 3 259.397 2.093 20 10 CECDHO Cc1cc(Br)cc(C[NH2+][C@@H](C)CC[NH3+])c1[O-] ZINC000841052254 639633421 /nfs/dbraw/zinc/63/34/21/639633421.db2.gz SLAFRNVHRFFTBU-VIFPVBQESA-N 1 3 287.201 2.290 20 10 CECDHO COc1cc(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)c1[O-] ZINC000229102551 639676740 /nfs/dbraw/zinc/67/67/40/639676740.db2.gz PHXDJRFWEDSKQP-UHFFFAOYSA-N 1 3 284.787 2.225 20 10 CECDHO COc1cccc([O-])c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046428 640251286 /nfs/dbraw/zinc/25/12/86/640251286.db2.gz VRGIRGNYAQRHOZ-OAHLLOKOSA-N 1 3 290.407 2.365 20 10 CECDHO C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC[NH2+]CC1 ZINC000873270473 649619665 /nfs/dbraw/zinc/61/96/65/649619665.db2.gz VBMJQBUSPJRNRN-BXUZGUMPSA-N 1 3 260.381 2.357 20 10 CECDHO C[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000699664735 807791354 /nfs/dbraw/zinc/79/13/54/807791354.db2.gz JUGKGWGWIPXFFV-DZGCQCFKSA-N 1 3 261.413 2.230 20 10 CECDHO C[NH+]1CCC2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC001140059001 816180899 /nfs/dbraw/zinc/18/08/99/816180899.db2.gz SOZJRXQKSVYUAB-UHFFFAOYSA-N 1 3 278.371 2.449 20 10 CECDHO C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC001140059001 816180904 /nfs/dbraw/zinc/18/09/04/816180904.db2.gz SOZJRXQKSVYUAB-UHFFFAOYSA-N 1 3 278.371 2.449 20 10 CECDHO CCN1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037644659 361918396 /nfs/dbraw/zinc/91/83/96/361918396.db2.gz PQEWTYIRLBBURD-CQSZACIVSA-N 1 3 260.381 2.053 20 10 CECDHO CCOc1cccc(CNC[C@]2(C)CCC[NH2+]C2)c1O ZINC000841057932 632360219 /nfs/dbraw/zinc/36/02/19/632360219.db2.gz SLQBVEOWGAFDSC-MRXNPFEDSA-N 1 3 278.396 2.270 20 10 CECDHO [O-]c1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc2ccccc21 ZINC000816522372 633407108 /nfs/dbraw/zinc/40/71/08/633407108.db2.gz WCDHJCHOOZGXMI-GJZGRUSLSA-N 1 3 268.360 2.197 20 10 CECDHO COc1ccc(O)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000816642267 633454848 /nfs/dbraw/zinc/45/48/48/633454848.db2.gz VCSDTKHEKXSVFX-KRWDZBQOSA-N 1 3 290.407 2.319 20 10 CECDHO COc1ccc(O)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000816642267 633454850 /nfs/dbraw/zinc/45/48/50/633454850.db2.gz VCSDTKHEKXSVFX-KRWDZBQOSA-N 1 3 290.407 2.319 20 10 CECDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[NH3+])c1[O-] ZINC000817938008 633788064 /nfs/dbraw/zinc/78/80/64/633788064.db2.gz BFNRXVFEZRTLLE-SECBINFHSA-N 1 3 287.201 2.463 20 10 CECDHO C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1CCC[NH2+]C1 ZINC000817947504 633794038 /nfs/dbraw/zinc/79/40/38/633794038.db2.gz OTMHCDQAECZQQF-YUTCNCBUSA-N 1 3 260.381 2.357 20 10 CECDHO C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817953865 633797135 /nfs/dbraw/zinc/79/71/35/633797135.db2.gz VKVUAVCSXLWIKM-YWVKMMECSA-N 1 3 252.333 2.407 20 10 CECDHO CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226607227 639556026 /nfs/dbraw/zinc/55/60/26/639556026.db2.gz QWFLATNZEGKUFX-UHFFFAOYSA-N 1 3 266.360 2.353 20 10 CECDHO c1cncc(C[NH2+]CCCNCc2ccc3c(c2)CCO3)c1 ZINC000841041018 639630030 /nfs/dbraw/zinc/63/00/30/639630030.db2.gz AHKMVLPVBOLSKI-UHFFFAOYSA-N 1 3 297.402 2.286 20 10 CECDHO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000841051626 639633460 /nfs/dbraw/zinc/63/34/60/639633460.db2.gz SVVAYTBAEWVNOF-QGZUEGPWSA-N 1 3 259.397 2.093 20 10 CECDHO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1F ZINC000841077037 639647170 /nfs/dbraw/zinc/64/71/70/639647170.db2.gz XBRVJCXYOSSZTQ-NEPJUHHUSA-N 1 3 267.392 2.497 20 10 CECDHO CCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c([O-])c1 ZINC000843129869 640296361 /nfs/dbraw/zinc/29/63/61/640296361.db2.gz SHIIGFHECYENIL-GHMZBOCLSA-N 1 3 252.358 2.006 20 10 CECDHO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877159075 650602823 /nfs/dbraw/zinc/60/28/23/650602823.db2.gz RWLBZJGGUUSUCC-OAHLLOKOSA-N 1 3 280.412 2.147 20 10 CECDHO COc1ccc(N2CC[C@H](N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000849350811 642340182 /nfs/dbraw/zinc/34/01/82/642340182.db2.gz XFJAOHJUNIWTJI-CABCVRRESA-N 1 3 289.423 2.006 20 10 CECDHO Cc1cccc(O)c1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000877642251 650831529 /nfs/dbraw/zinc/83/15/29/650831529.db2.gz IIHNYNMMOFYSQS-OAHLLOKOSA-N 1 3 292.423 2.243 20 10 CECDHO COc1ccc(O)c(CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872251232 649328848 /nfs/dbraw/zinc/32/88/48/649328848.db2.gz IGWIHQMLJWNVMW-ZDUSSCGKSA-N 1 3 278.396 2.269 20 10 CECDHO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)CN(C)C ZINC000291815674 279347701 /nfs/dbraw/zinc/34/77/01/279347701.db2.gz YOWOFVMLUNBZGY-GFCCVEGCSA-N 1 3 267.392 2.179 20 10 CECDHO CCO[C@H](CN[C@H](C)c1cc(C)ccc1O)C[NH+](C)C ZINC000926962648 632390222 /nfs/dbraw/zinc/39/02/22/632390222.db2.gz RKLABNPWMXQYBD-ZIAGYGMSSA-N 1 3 280.412 2.318 20 10 CECDHO COc1cccc([O-])c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817416100 633654906 /nfs/dbraw/zinc/65/49/06/633654906.db2.gz IOWVNESAEAFBFV-UHFFFAOYSA-N 1 3 278.396 2.363 20 10 CECDHO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1[O-] ZINC000817975743 633818806 /nfs/dbraw/zinc/81/88/06/633818806.db2.gz AMNCNNYFAWEEAW-YGRLFVJLSA-N 1 3 264.344 2.324 20 10 CECDHO CCOc1ccc(C[NH2+]CCC(C)(C)[NH3+])c([O-])c1 ZINC000903938777 635363680 /nfs/dbraw/zinc/36/36/80/635363680.db2.gz KBWXSERHISXICV-UHFFFAOYSA-N 1 3 252.358 2.008 20 10 CECDHO C[NH+](C)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000226562256 639553601 /nfs/dbraw/zinc/55/36/01/639553601.db2.gz QRPRTLVNBZKKHT-UHFFFAOYSA-N 1 3 266.360 2.305 20 10 CECDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841029056 639621447 /nfs/dbraw/zinc/62/14/47/639621447.db2.gz FCLNWCCFORSUBK-GJZGRUSLSA-N 1 3 260.381 2.229 20 10 CECDHO CC(C)[C@@H](N)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841031467 639623877 /nfs/dbraw/zinc/62/38/77/639623877.db2.gz SIGFLESETLRCBR-KJPDOMRESA-N 1 3 261.413 2.339 20 10 CECDHO CCOc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c([O-])c1 ZINC000841084464 639650673 /nfs/dbraw/zinc/65/06/73/639650673.db2.gz JXFYBLWTAHDUGH-AAEUAGOBSA-N 1 3 264.369 2.008 20 10 CECDHO CCOc1ccc(O)c(CN[C@H](C[NH3+])C(C)(C)C)c1 ZINC000841087723 639651501 /nfs/dbraw/zinc/65/15/01/639651501.db2.gz RQILOSFIHIFHTH-CQSZACIVSA-N 1 3 266.385 2.254 20 10 CECDHO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2c1c(F)ccc2[O-] ZINC000873255565 649611687 /nfs/dbraw/zinc/61/16/87/649611687.db2.gz HRGDXMLYXKFHRT-BFLSOPEQSA-N 1 3 264.344 2.407 20 10 CECDHO CCOc1ccc(CN2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205124203 807718845 /nfs/dbraw/zinc/71/88/45/807718845.db2.gz LJFGVBCGOZZSOO-ZDUSSCGKSA-N 1 3 264.369 2.104 20 10 CECDHO Cc1ccc(O)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709827335 809971593 /nfs/dbraw/zinc/97/15/93/809971593.db2.gz JUVUGYGSDQHRQL-MRXNPFEDSA-N 1 3 260.381 2.276 20 10 CECDHO CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000020524019 171236694 /nfs/dbraw/zinc/23/66/94/171236694.db2.gz KHSZYFDMMOCEMC-ZXFUBFMLSA-N 1 3 273.424 2.467 20 10 CECDHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258877167 628779387 /nfs/dbraw/zinc/77/93/87/628779387.db2.gz GKKCNNZYBMGGIB-HUUCEWRRSA-N 1 3 260.381 2.371 20 10 CECDHO CCOc1ccc(O)c(CN[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000841033733 631833399 /nfs/dbraw/zinc/83/33/99/631833399.db2.gz VEPZQUCIUWJKCM-OLZOCXBDSA-N 1 3 278.396 2.269 20 10 CECDHO CCOc1ccc(C[N@H+](C)CCCN(C)C)c(O)c1 ZINC000809729977 632133538 /nfs/dbraw/zinc/13/35/38/632133538.db2.gz VNMFBSNKWZHHAJ-UHFFFAOYSA-N 1 3 266.385 2.174 20 10 CECDHO CCOc1ccc(C[N@@H+](C)CCCN(C)C)c(O)c1 ZINC000809729977 632133542 /nfs/dbraw/zinc/13/35/42/632133542.db2.gz VNMFBSNKWZHHAJ-UHFFFAOYSA-N 1 3 266.385 2.174 20 10 CECDHO [O-]c1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc2ccccc21 ZINC000816522371 633407395 /nfs/dbraw/zinc/40/73/95/633407395.db2.gz WCDHJCHOOZGXMI-GASCZTMLSA-N 1 3 268.360 2.197 20 10 CECDHO [O-]c1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc2ccccc21 ZINC000816522371 633407398 /nfs/dbraw/zinc/40/73/98/633407398.db2.gz WCDHJCHOOZGXMI-GASCZTMLSA-N 1 3 268.360 2.197 20 10 CECDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887738 633752232 /nfs/dbraw/zinc/75/22/32/633752232.db2.gz DIRASLLKDDEQEU-HZPDHXFCSA-N 1 3 291.464 2.209 20 10 CECDHO CN1CCCc2cc(C[NH2+][C@H]3CCC[C@@H]3N)ccc21 ZINC000817901447 633763141 /nfs/dbraw/zinc/76/31/41/633763141.db2.gz VSRUNXDXCWLXGT-GJZGRUSLSA-N 1 3 259.397 2.038 20 10 CECDHO [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817959512 633801888 /nfs/dbraw/zinc/80/18/88/633801888.db2.gz GTXDJKTUGNJDAL-MJBXVCDLSA-N 1 3 260.381 2.487 20 10 CECDHO CN(C)c1ccc(/C=C\CNC2CC[NH+](C)CC2)cc1 ZINC000835033126 638032327 /nfs/dbraw/zinc/03/23/27/638032327.db2.gz CPYHGZYQBDBAED-PLNGDYQASA-N 1 3 273.424 2.450 20 10 CECDHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191470 639837329 /nfs/dbraw/zinc/83/73/29/639837329.db2.gz SRSSVXUOTVFAAC-BBRMVZONSA-N 1 3 261.413 2.454 20 10 CECDHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191470 639837331 /nfs/dbraw/zinc/83/73/31/639837331.db2.gz SRSSVXUOTVFAAC-BBRMVZONSA-N 1 3 261.413 2.454 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c([O-])c1 ZINC000843051493 640254429 /nfs/dbraw/zinc/25/44/29/640254429.db2.gz JKEOGGIBAKQEGZ-QWHCGFSZSA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c([O-])c1 ZINC000843051493 640254431 /nfs/dbraw/zinc/25/44/31/640254431.db2.gz JKEOGGIBAKQEGZ-QWHCGFSZSA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([O-])c1 ZINC000843051494 640254588 /nfs/dbraw/zinc/25/45/88/640254588.db2.gz JKEOGGIBAKQEGZ-STQMWFEESA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([O-])c1 ZINC000843051494 640254590 /nfs/dbraw/zinc/25/45/90/640254590.db2.gz JKEOGGIBAKQEGZ-STQMWFEESA-N 1 3 278.396 2.350 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c([O-])c1 ZINC000843120180 640289168 /nfs/dbraw/zinc/28/91/68/640289168.db2.gz MYVGYPVZZRULCT-UHFFFAOYSA-N 1 3 290.407 2.366 20 10 CECDHO CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c([O-])c1 ZINC000843120180 640289173 /nfs/dbraw/zinc/28/91/73/640289173.db2.gz MYVGYPVZZRULCT-UHFFFAOYSA-N 1 3 290.407 2.366 20 10 CECDHO [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125598 640291869 /nfs/dbraw/zinc/29/18/69/640291869.db2.gz YMDTWIUXFBFCSA-OLZOCXBDSA-N 1 3 278.371 2.353 20 10 CECDHO [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125598 640291873 /nfs/dbraw/zinc/29/18/73/640291873.db2.gz YMDTWIUXFBFCSA-OLZOCXBDSA-N 1 3 278.371 2.353 20 10 CECDHO COCCC1([NH2+]Cc2cc(C)c(C)cc2O)CCNCC1 ZINC000873225361 649598264 /nfs/dbraw/zinc/59/82/64/649598264.db2.gz WXZUUYQHKYZVQM-UHFFFAOYSA-N 1 3 292.423 2.257 20 10 CECDHO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000311233216 803669483 /nfs/dbraw/zinc/66/94/83/803669483.db2.gz RVTLJUAHQLTIQJ-NSHDSACASA-N 1 3 252.333 2.092 20 10 CECDHO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000311233216 803669484 /nfs/dbraw/zinc/66/94/84/803669484.db2.gz RVTLJUAHQLTIQJ-NSHDSACASA-N 1 3 252.333 2.092 20 10 CECDHO CCOc1cccc(C[N@@H+]2CCCC[C@@](F)(CN)C2)c1O ZINC001206337963 816774459 /nfs/dbraw/zinc/77/44/59/816774459.db2.gz XHZBENQCAXNUGW-MRXNPFEDSA-N 1 3 296.386 2.444 20 10 CECDHO CCOc1cccc(C[N@H+]2CCCC[C@@](F)(CN)C2)c1O ZINC001206337963 816774462 /nfs/dbraw/zinc/77/44/62/816774462.db2.gz XHZBENQCAXNUGW-MRXNPFEDSA-N 1 3 296.386 2.444 20 10 CECDHO Oc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371463715 373891976 /nfs/dbraw/zinc/89/19/76/373891976.db2.gz KOTGZCZHAUGPED-BZUAXINKSA-N 1 3 272.392 2.308 20 10 CECDHO Oc1ccccc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371463715 373891981 /nfs/dbraw/zinc/89/19/81/373891981.db2.gz KOTGZCZHAUGPED-BZUAXINKSA-N 1 3 272.392 2.308 20 10 CECDHO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCN(CCOC)C1 ZINC000278357600 521697287 /nfs/dbraw/zinc/69/72/87/521697287.db2.gz JIBFBXHVGBINPP-QGZVFWFLSA-N 1 3 291.439 2.082 20 10 CECDHO COc1cc(C)cc(CN[C@@H](C)CC[NH+](C)C)c1O ZINC000894211263 629229625 /nfs/dbraw/zinc/22/96/25/629229625.db2.gz NBSUGIORCLTKBR-LBPRGKRZSA-N 1 3 266.385 2.139 20 10 CECDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887736 633752000 /nfs/dbraw/zinc/75/20/00/633752000.db2.gz DIRASLLKDDEQEU-CVEARBPZSA-N 1 3 291.464 2.209 20 10 CECDHO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817955520 633798319 /nfs/dbraw/zinc/79/83/19/633798319.db2.gz XXENGAUMTSPKMV-MNOVXSKESA-N 1 3 252.333 2.182 20 10 CECDHO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817955519 633798857 /nfs/dbraw/zinc/79/88/57/633798857.db2.gz XXENGAUMTSPKMV-GHMZBOCLSA-N 1 3 252.333 2.182 20 10 CECDHO Nc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000817956212 633799378 /nfs/dbraw/zinc/79/93/78/633799378.db2.gz TZCPJOUWFIERLR-CVEARBPZSA-N 1 3 259.397 2.028 20 10 CECDHO Nc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000817956212 633799382 /nfs/dbraw/zinc/79/93/82/633799382.db2.gz TZCPJOUWFIERLR-CVEARBPZSA-N 1 3 259.397 2.028 20 10 CECDHO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(F)ccc1[O-] ZINC000817982237 633824388 /nfs/dbraw/zinc/82/43/88/633824388.db2.gz PRJCKKCOFDHBSZ-NHCYSSNCSA-N 1 3 252.333 2.309 20 10 CECDHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834620967 637892397 /nfs/dbraw/zinc/89/23/97/637892397.db2.gz ZHVSPVVNXNTYNG-GJZGRUSLSA-N 1 3 292.423 2.326 20 10 CECDHO CN(C)c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000841030953 639622456 /nfs/dbraw/zinc/62/24/56/639622456.db2.gz PYTWKAJEYPIBEK-ZFWWWQNUSA-N 1 3 279.403 2.499 20 10 CECDHO CCC[N@H+](Cc1cc(OC)ccc1O)C1CCNCC1 ZINC000843044947 640249700 /nfs/dbraw/zinc/24/97/00/640249700.db2.gz NFEWHAFBAKPBJE-UHFFFAOYSA-N 1 3 278.396 2.365 20 10 CECDHO CCC[N@@H+](Cc1cc(OC)ccc1O)C1CCNCC1 ZINC000843044947 640249704 /nfs/dbraw/zinc/24/97/04/640249704.db2.gz NFEWHAFBAKPBJE-UHFFFAOYSA-N 1 3 278.396 2.365 20 10 CECDHO Cc1cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923291449 643638816 /nfs/dbraw/zinc/63/88/16/643638816.db2.gz SQMIGAFBIGEWPD-DZGCQCFKSA-N 1 3 261.413 2.230 20 10 CECDHO COc1cc(C[N@@H+]2CC[C@H](CN(C)C)C2)c(O)cc1C ZINC000768444721 646124051 /nfs/dbraw/zinc/12/40/51/646124051.db2.gz BQJSRIWWOBJDFB-CYBMUJFWSA-N 1 3 278.396 2.093 20 10 CECDHO COc1cc(C[N@H+]2CC[C@H](CN(C)C)C2)c(O)cc1C ZINC000768444721 646124055 /nfs/dbraw/zinc/12/40/55/646124055.db2.gz BQJSRIWWOBJDFB-CYBMUJFWSA-N 1 3 278.396 2.093 20 10 CECDHO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1C ZINC001204087455 815356144 /nfs/dbraw/zinc/35/61/44/815356144.db2.gz BPGIYGHBKNOTFK-BZUAXINKSA-N 1 3 274.408 2.433 20 10 CECDHO C[NH+]1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000389143287 813248258 /nfs/dbraw/zinc/24/82/58/813248258.db2.gz SXGUCWDEFGMIIX-AWEZNQCLSA-N 1 3 260.381 2.311 20 10 CECDHO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c(O)c1C ZINC000273609168 373768911 /nfs/dbraw/zinc/76/89/11/373768911.db2.gz VGDNNWCFXMDJKU-CQSZACIVSA-N 1 3 292.423 2.116 20 10 CECDHO Oc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371463718 373890853 /nfs/dbraw/zinc/89/08/53/373890853.db2.gz KOTGZCZHAUGPED-PMPSAXMXSA-N 1 3 272.392 2.308 20 10 CECDHO Oc1ccccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371463718 373890858 /nfs/dbraw/zinc/89/08/58/373890858.db2.gz KOTGZCZHAUGPED-PMPSAXMXSA-N 1 3 272.392 2.308 20 10 CECDHO CC[N@H+](CCCN(C)C)Cc1cc(OC)ccc1O ZINC000230744745 333321313 /nfs/dbraw/zinc/32/13/13/333321313.db2.gz SRZRJWGRUGGAAN-UHFFFAOYSA-N 1 3 266.385 2.174 20 10 CECDHO CC[N@@H+](CCCN(C)C)Cc1cc(OC)ccc1O ZINC000230744745 333321314 /nfs/dbraw/zinc/32/13/14/333321314.db2.gz SRZRJWGRUGGAAN-UHFFFAOYSA-N 1 3 266.385 2.174 20 10 CECDHO CCOc1ccc(O)c(CN[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000841073481 634734793 /nfs/dbraw/zinc/73/47/93/634734793.db2.gz VCVLENMQHUAACL-OAHLLOKOSA-N 1 3 278.396 2.269 20 10 CECDHO Cc1cc(O)c(CNC[C@@]2(C)CCC[NH2+]C2)cc1C ZINC000841057339 632359152 /nfs/dbraw/zinc/35/91/52/632359152.db2.gz MEJJCZXKAHCMED-INIZCTEOSA-N 1 3 262.397 2.488 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000817985573 633828162 /nfs/dbraw/zinc/82/81/62/633828162.db2.gz FPCIBZVLIUYVMA-GBJTYRQASA-N 1 3 272.392 2.357 20 10 CECDHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1[O-] ZINC000817987073 633828520 /nfs/dbraw/zinc/82/85/20/633828520.db2.gz PSMWJLOSEOHKEF-REWJHTLYSA-N 1 3 260.381 2.431 20 10 CECDHO CCOCc1cc(CNCCC(C)(C)[NH3+])ccc1OC ZINC000903938465 635363815 /nfs/dbraw/zinc/36/38/15/635363815.db2.gz BUPWSEWQUPBZDH-UHFFFAOYSA-N 1 3 280.412 2.449 20 10 CECDHO CN(C)c1ccc(/C=C\CNCCC(C)(C)[NH3+])cc1 ZINC000903939841 635372906 /nfs/dbraw/zinc/37/29/06/635372906.db2.gz OJRXKNJTOYJGFO-WAYWQWQTSA-N 1 3 261.413 2.483 20 10 CECDHO CCOc1cccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c1O ZINC000841033083 639624925 /nfs/dbraw/zinc/62/49/25/639624925.db2.gz KGJIVTATVGTQFD-CHWSQXEVSA-N 1 3 278.396 2.269 20 10 CECDHO CCOc1ccc(O)c(CN[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000841087722 639652052 /nfs/dbraw/zinc/65/20/52/639652052.db2.gz RQILOSFIHIFHTH-AWEZNQCLSA-N 1 3 266.385 2.254 20 10 CECDHO Cc1cccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1O ZINC000841089614 639652958 /nfs/dbraw/zinc/65/29/58/639652958.db2.gz OUNBQLFSOHXYSQ-CQSZACIVSA-N 1 3 260.381 2.465 20 10 CECDHO CN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000843059941 640262419 /nfs/dbraw/zinc/26/24/19/640262419.db2.gz VQTPVOWWXPWHGM-OFQRWUPVSA-N 1 3 291.414 2.451 20 10 CECDHO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124844 640290780 /nfs/dbraw/zinc/29/07/80/640290780.db2.gz JCJJIAVCWCKWFX-KGLIPLIRSA-N 1 3 290.407 2.222 20 10 CECDHO COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124844 640290785 /nfs/dbraw/zinc/29/07/85/640290785.db2.gz JCJJIAVCWCKWFX-KGLIPLIRSA-N 1 3 290.407 2.222 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000844901445 640860121 /nfs/dbraw/zinc/86/01/21/640860121.db2.gz FMAFIBLZPQYUFG-BFYDXBDKSA-N 1 3 290.407 2.111 20 10 CECDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000844901445 640860125 /nfs/dbraw/zinc/86/01/25/640860125.db2.gz FMAFIBLZPQYUFG-BFYDXBDKSA-N 1 3 290.407 2.111 20 10 CECDHO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000850500081 642734208 /nfs/dbraw/zinc/73/42/08/642734208.db2.gz COKDJGZNNXUNAC-GJZGRUSLSA-N 1 3 293.455 2.315 20 10 CECDHO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000863542501 646752168 /nfs/dbraw/zinc/75/21/68/646752168.db2.gz WCHBIBBUNPANHC-CQSZACIVSA-N 1 3 291.439 2.301 20 10 CECDHO C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2c1c(F)ccc2[O-] ZINC000863547156 646753426 /nfs/dbraw/zinc/75/34/26/646753426.db2.gz PRLHORZQYNOWBB-CMPLNLGQSA-N 1 3 282.359 2.035 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775024024 646916909 /nfs/dbraw/zinc/91/69/09/646916909.db2.gz QJLZMEKIZPDYJC-UHFFFAOYSA-N 1 3 290.407 2.365 20 10 CECDHO Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320851 808069756 /nfs/dbraw/zinc/06/97/56/808069756.db2.gz KRGURQYGEXRNMP-OKILXGFUSA-N 1 3 260.381 2.132 20 10 CECDHO Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320851 808069761 /nfs/dbraw/zinc/06/97/61/808069761.db2.gz KRGURQYGEXRNMP-OKILXGFUSA-N 1 3 260.381 2.132 20 10 CECDHO CCOc1cccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c1O ZINC000179633752 368344125 /nfs/dbraw/zinc/34/41/25/368344125.db2.gz YJLCOPSJOBYNCA-ZDUSSCGKSA-N 1 3 278.396 2.174 20 10 CECDHO CCOc1cccc(C[N@H+]2CC[C@@H](CN(C)C)C2)c1O ZINC000179633752 368344131 /nfs/dbraw/zinc/34/41/31/368344131.db2.gz YJLCOPSJOBYNCA-ZDUSSCGKSA-N 1 3 278.396 2.174 20 10 CECDHO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000093770583 394669481 /nfs/dbraw/zinc/66/94/81/394669481.db2.gz YQYUJWOLBHSIRM-AWEZNQCLSA-N 1 3 262.397 2.474 20 10 CECDHO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000093770583 394669484 /nfs/dbraw/zinc/66/94/84/394669484.db2.gz YQYUJWOLBHSIRM-AWEZNQCLSA-N 1 3 262.397 2.474 20 10 CECDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000817896569 633758166 /nfs/dbraw/zinc/75/81/66/633758166.db2.gz KQCUDEZQTWIPLR-XJKSGUPXSA-N 1 3 261.413 2.230 20 10 CECDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897886 633759154 /nfs/dbraw/zinc/75/91/54/633759154.db2.gz CXUXBGIUCJHDMD-JKSUJKDBSA-N 1 3 259.397 2.256 20 10 CECDHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817901281 633762015 /nfs/dbraw/zinc/76/20/15/633762015.db2.gz AQKZOKVDZOIHIH-GJZGRUSLSA-N 1 3 260.381 2.371 20 10 CECDHO CN1CCCc2cc(C[NH2+][C@H]3CCC[C@H]3N)ccc21 ZINC000817901446 633762864 /nfs/dbraw/zinc/76/28/64/633762864.db2.gz VSRUNXDXCWLXGT-CABCVRRESA-N 1 3 259.397 2.038 20 10 CECDHO COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000817947115 633794018 /nfs/dbraw/zinc/79/40/18/633794018.db2.gz KOEKPIWTHAUCCX-FRRDWIJNSA-N 1 3 278.396 2.440 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000817977002 633819561 /nfs/dbraw/zinc/81/95/61/633819561.db2.gz YXYNFEIIYAKSID-OCCSQVGLSA-N 1 3 258.365 2.111 20 10 CECDHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980723 633823564 /nfs/dbraw/zinc/82/35/64/633823564.db2.gz WQAGZPJWMHTIJS-JSGCOSHPSA-N 1 3 295.402 2.050 20 10 CECDHO CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834764522 637943725 /nfs/dbraw/zinc/94/37/25/637943725.db2.gz FHYVEYWAXDFDNH-HNNXBMFYSA-N 1 3 292.423 2.328 20 10 CECDHO Cc1cccc(O)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876940793 650497256 /nfs/dbraw/zinc/49/72/56/650497256.db2.gz XTQMKNTZOYPKSY-KBPBESRZSA-N 1 3 260.381 2.417 20 10 CECDHO Cc1cccc(O)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876940793 650497257 /nfs/dbraw/zinc/49/72/57/650497257.db2.gz XTQMKNTZOYPKSY-KBPBESRZSA-N 1 3 260.381 2.417 20 10 CECDHO [NH3+]CCc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000841032053 639623654 /nfs/dbraw/zinc/62/36/54/639623654.db2.gz IJNQQQMZYRCZHV-UHFFFAOYSA-N 1 3 274.339 2.322 20 10 CECDHO COc1cc(O)c(C[NH2+]CC2(N)CCCCC2)cc1OC ZINC000841039688 639630140 /nfs/dbraw/zinc/63/01/40/639630140.db2.gz ZKYRENGLJOSDII-UHFFFAOYSA-N 1 3 294.395 2.161 20 10 CECDHO CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c([O-])c1 ZINC000841054633 639634596 /nfs/dbraw/zinc/63/45/96/639634596.db2.gz FVRRXICRXYJECQ-STQMWFEESA-N 1 3 264.369 2.150 20 10 CECDHO CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([O-])c1 ZINC000843059725 640262935 /nfs/dbraw/zinc/26/29/35/640262935.db2.gz RBAODYCQKLEMRJ-MAZHCROVSA-N 1 3 290.407 2.350 20 10 CECDHO CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([O-])c1 ZINC000843059725 640262939 /nfs/dbraw/zinc/26/29/39/640262939.db2.gz RBAODYCQKLEMRJ-MAZHCROVSA-N 1 3 290.407 2.350 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1[O-] ZINC000843129890 640296037 /nfs/dbraw/zinc/29/60/37/640296037.db2.gz SRXJBXQYGXYVLA-BDAKNGLRSA-N 1 3 272.776 2.270 20 10 CECDHO CCOCc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000843129884 640296217 /nfs/dbraw/zinc/29/62/17/640296217.db2.gz SRPOCXLNAKUPHH-STQMWFEESA-N 1 3 280.412 2.447 20 10 CECDHO CCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)c([O-])c1 ZINC000844900559 640860317 /nfs/dbraw/zinc/86/03/17/640860317.db2.gz AFUUPNSEQQLTEJ-UHFFFAOYSA-N 1 3 264.369 2.010 20 10 CECDHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846142284 641199350 /nfs/dbraw/zinc/19/93/50/641199350.db2.gz ZVKIHDFJTONYLT-CHWSQXEVSA-N 1 3 278.396 2.393 20 10 CECDHO C[C@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000253202410 641620151 /nfs/dbraw/zinc/62/01/51/641620151.db2.gz YVVYBSYCBBGLND-DZGCQCFKSA-N 1 3 261.413 2.169 20 10 CECDHO CN1CCCc2cc(CN[C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000848718420 642111280 /nfs/dbraw/zinc/11/12/80/642111280.db2.gz MOVAWMRTBQAVCR-HOTGVXAUSA-N 1 3 273.424 2.429 20 10 CECDHO CN1CCCc2cc(CN[C@@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000848718423 642111407 /nfs/dbraw/zinc/11/14/07/642111407.db2.gz MOVAWMRTBQAVCR-HZPDHXFCSA-N 1 3 273.424 2.429 20 10 CECDHO CCN(C)c1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000863542500 646752013 /nfs/dbraw/zinc/75/20/13/646752013.db2.gz WCHBIBBUNPANHC-AWEZNQCLSA-N 1 3 291.439 2.301 20 10 CECDHO [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873261749 649615364 /nfs/dbraw/zinc/61/53/64/649615364.db2.gz RFFOTKQNZQHJRF-FAAHXZRKSA-N 1 3 272.392 2.500 20 10 CECDHO CCc1ccc(CN2CCC[C@@H](C[NH2+]C)C2)c(O)c1 ZINC001205017969 805948629 /nfs/dbraw/zinc/94/86/29/805948629.db2.gz QEJNFAHRFOUFJJ-AWEZNQCLSA-N 1 3 262.397 2.386 20 10 CECDHO C[NH+](C)C1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000715532401 808758590 /nfs/dbraw/zinc/75/85/90/808758590.db2.gz LTFKVEGSSAMLIE-UHFFFAOYSA-N 1 3 264.369 2.060 20 10 CECDHO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1C ZINC001204087456 815355845 /nfs/dbraw/zinc/35/58/45/815355845.db2.gz BPGIYGHBKNOTFK-HRCADAONSA-N 1 3 274.408 2.433 20 10 CECDHO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1C ZINC001204087457 815356321 /nfs/dbraw/zinc/35/63/21/815356321.db2.gz BPGIYGHBKNOTFK-OWCLPIDISA-N 1 3 274.408 2.433 20 10 CECDHO CCOc1cccc(C[N@H+](C)C2(CN)CCC2)c1O ZINC000385423007 813138925 /nfs/dbraw/zinc/13/89/25/813138925.db2.gz BNACDYAEUWJUFJ-UHFFFAOYSA-N 1 3 264.369 2.104 20 10 CECDHO CCOc1cccc(C[N@@H+](C)C2(CN)CCC2)c1O ZINC000385423007 813138931 /nfs/dbraw/zinc/13/89/31/813138931.db2.gz BNACDYAEUWJUFJ-UHFFFAOYSA-N 1 3 264.369 2.104 20 10 CECDHO CC1(C)[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCCN[C@@H]21 ZINC000925692528 628511579 /nfs/dbraw/zinc/51/15/79/628511579.db2.gz MAPKCRSOUYYAKX-OWCLPIDISA-N 1 3 273.424 2.178 20 10 CECDHO CC1(C)[C@H](NCCc2ccc(N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925692528 628511582 /nfs/dbraw/zinc/51/15/82/628511582.db2.gz MAPKCRSOUYYAKX-OWCLPIDISA-N 1 3 273.424 2.178 20 10 CECDHO Cc1cc(Br)cc(C[NH2+]CC2(N)CC2)c1O ZINC000904448582 635641081 /nfs/dbraw/zinc/64/10/81/635641081.db2.gz BXHJQQDJGANXET-UHFFFAOYSA-N 1 3 285.185 2.044 20 10 CECDHO Cc1cccc(O)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876940795 650497126 /nfs/dbraw/zinc/49/71/26/650497126.db2.gz XTQMKNTZOYPKSY-UONOGXRCSA-N 1 3 260.381 2.417 20 10 CECDHO Cc1cccc(O)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876940795 650497127 /nfs/dbraw/zinc/49/71/27/650497127.db2.gz XTQMKNTZOYPKSY-UONOGXRCSA-N 1 3 260.381 2.417 20 10 CECDHO [NH3+]CCc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000841031971 639623555 /nfs/dbraw/zinc/62/35/55/639623555.db2.gz FCWHGTZMDXEXCD-UHFFFAOYSA-N 1 3 256.349 2.183 20 10 CECDHO CCOc1ccc(O)c(CNC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000841058628 639635540 /nfs/dbraw/zinc/63/55/40/639635540.db2.gz ZHUXSTCJTSKLOH-INIZCTEOSA-N 1 3 278.396 2.270 20 10 CECDHO COc1cc(Cl)cc(C[NH2+][C@@H](C)CCC[NH3+])c1[O-] ZINC000841078377 639647143 /nfs/dbraw/zinc/64/71/43/639647143.db2.gz CCPYZTQZHSNVOI-VIFPVBQESA-N 1 3 272.776 2.271 20 10 CECDHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191471 639837875 /nfs/dbraw/zinc/83/78/75/639837875.db2.gz SRSSVXUOTVFAAC-CJNGLKHVSA-N 1 3 261.413 2.454 20 10 CECDHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191471 639837884 /nfs/dbraw/zinc/83/78/84/639837884.db2.gz SRSSVXUOTVFAAC-CJNGLKHVSA-N 1 3 261.413 2.454 20 10 CECDHO C[NH2+]C[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000843045379 640250754 /nfs/dbraw/zinc/25/07/54/640250754.db2.gz WANUIZNSJWVGAT-AWEZNQCLSA-N 1 3 262.397 2.440 20 10 CECDHO CCOc1ccc(CN2CC[C@H]([NH3+])[C@@H](CC)C2)c(O)c1 ZINC000843053876 640256408 /nfs/dbraw/zinc/25/64/08/640256408.db2.gz VRRZMOWPNWPWHX-WFASDCNBSA-N 1 3 278.396 2.350 20 10 CECDHO COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124843 640291092 /nfs/dbraw/zinc/29/10/92/640291092.db2.gz JCJJIAVCWCKWFX-KBPBESRZSA-N 1 3 290.407 2.222 20 10 CECDHO COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124843 640291094 /nfs/dbraw/zinc/29/10/94/640291094.db2.gz JCJJIAVCWCKWFX-KBPBESRZSA-N 1 3 290.407 2.222 20 10 CECDHO CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([O-])c1 ZINC000843126042 640293131 /nfs/dbraw/zinc/29/31/31/640293131.db2.gz FFOYJJBOSFZSEO-OKILXGFUSA-N 1 3 290.407 2.222 20 10 CECDHO CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([O-])c1 ZINC000843126042 640293132 /nfs/dbraw/zinc/29/31/32/640293132.db2.gz FFOYJJBOSFZSEO-OKILXGFUSA-N 1 3 290.407 2.222 20 10 CECDHO C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000844905438 640861240 /nfs/dbraw/zinc/86/12/40/640861240.db2.gz ZIVWLHZPTHDCIT-UHFFFAOYSA-N 1 3 256.349 2.401 20 10 CECDHO COc1ccc(O)c(CN(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000179734025 641379805 /nfs/dbraw/zinc/37/98/05/641379805.db2.gz RNOMZMWUBXJFCM-ZDUSSCGKSA-N 1 3 278.396 2.174 20 10 CECDHO COc1ccc(O)c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000179734025 641379807 /nfs/dbraw/zinc/37/98/07/641379807.db2.gz RNOMZMWUBXJFCM-ZDUSSCGKSA-N 1 3 278.396 2.174 20 10 CECDHO CCOc1ccc(O)c(C[NH2+]CC2(N)CCCC2)c1 ZINC000849350132 642340638 /nfs/dbraw/zinc/34/06/38/642340638.db2.gz RLDKQYGUMBOZRZ-UHFFFAOYSA-N 1 3 264.369 2.152 20 10 CECDHO Cc1cc(CN2CC[C@H]([NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923291451 643638555 /nfs/dbraw/zinc/63/85/55/643638555.db2.gz SQMIGAFBIGEWPD-HIFRSBDPSA-N 1 3 261.413 2.230 20 10 CECDHO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2c1c(F)ccc2[O-] ZINC000873250444 649609302 /nfs/dbraw/zinc/60/93/02/649609302.db2.gz HRGDXMLYXKFHRT-GUDRVLHUSA-N 1 3 264.344 2.407 20 10 CECDHO C[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000699664736 807791368 /nfs/dbraw/zinc/79/13/68/807791368.db2.gz JUGKGWGWIPXFFV-HIFRSBDPSA-N 1 3 261.413 2.230 20 10 CECDHO Cc1ccc(O)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001140623702 816307150 /nfs/dbraw/zinc/30/71/50/816307150.db2.gz QPYGNBIYYVDQIM-GDBMZVCRSA-N 1 3 260.381 2.084 20 10 CECDHO CCOc1cccc(C[NH2+]CCCC[NH+](C)C)c1[O-] ZINC000045663353 362163926 /nfs/dbraw/zinc/16/39/26/362163926.db2.gz LCQUADDYWIKZPV-UHFFFAOYSA-N 1 3 266.385 2.222 20 10 CECDHO Cc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)c(O)c1C ZINC000273609166 373768807 /nfs/dbraw/zinc/76/88/07/373768807.db2.gz VGDNNWCFXMDJKU-AWEZNQCLSA-N 1 3 292.423 2.116 20 10 CECDHO COc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293755512 395250861 /nfs/dbraw/zinc/25/08/61/395250861.db2.gz XFDQALNCKWZELT-KRWDZBQOSA-N 1 3 290.407 2.319 20 10 CECDHO COc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293755512 395250864 /nfs/dbraw/zinc/25/08/64/395250864.db2.gz XFDQALNCKWZELT-KRWDZBQOSA-N 1 3 290.407 2.319 20 10 CECDHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000249384346 334332859 /nfs/dbraw/zinc/33/28/59/334332859.db2.gz XEGHISNCAZAXPC-CHWSQXEVSA-N 1 3 278.396 2.393 20 10 CECDHO COc1ccc([O-])c([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663283 524763079 /nfs/dbraw/zinc/76/30/79/524763079.db2.gz LENRUUYLIRCGBG-GFCCVEGCSA-N 1 3 266.385 2.393 20 10 CECDHO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000071408007 525348547 /nfs/dbraw/zinc/34/85/47/525348547.db2.gz JZFQEROGUYNVEQ-CYBMUJFWSA-N 1 3 260.381 2.275 20 10 CECDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897881 633759468 /nfs/dbraw/zinc/75/94/68/633759468.db2.gz CXUXBGIUCJHDMD-CVEARBPZSA-N 1 3 259.397 2.256 20 10 CECDHO CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1[O-] ZINC000817974452 633818357 /nfs/dbraw/zinc/81/83/57/633818357.db2.gz MELCRDMYMBATBL-OAHLLOKOSA-N 1 3 292.423 2.449 20 10 CECDHO COCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CC[NH2+]CC1 ZINC000817974699 633818379 /nfs/dbraw/zinc/81/83/79/633818379.db2.gz NTMLVSULYTUFRX-ZDUSSCGKSA-N 1 3 278.396 2.059 20 10 CECDHO C[C@H]1CC2(C[N@@H+]1Cc1ccccc1[O-])CC[NH2+]CC2 ZINC000818431358 633920729 /nfs/dbraw/zinc/92/07/29/633920729.db2.gz JTXZYJLALBWMRQ-ZDUSSCGKSA-N 1 3 260.381 2.356 20 10 CECDHO C[C@H]1CC2(C[N@H+]1Cc1ccccc1[O-])CC[NH2+]CC2 ZINC000818431358 633920733 /nfs/dbraw/zinc/92/07/33/633920733.db2.gz JTXZYJLALBWMRQ-ZDUSSCGKSA-N 1 3 260.381 2.356 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000835063525 638044395 /nfs/dbraw/zinc/04/43/95/638044395.db2.gz ZRGPCTVLIDZIGE-UHFFFAOYSA-N 1 3 278.396 2.365 20 10 CECDHO COc1cccc([O-])c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835063525 638044405 /nfs/dbraw/zinc/04/44/05/638044405.db2.gz ZRGPCTVLIDZIGE-UHFFFAOYSA-N 1 3 278.396 2.365 20 10 CECDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCNC2)cc1 ZINC000841043659 639630901 /nfs/dbraw/zinc/63/09/01/639630901.db2.gz UUKMHSCAZSIUPE-OAHLLOKOSA-N 1 3 261.413 2.374 20 10 CECDHO CCOc1ccc(CN2CC[C@H]([NH3+])[C@H](CC)C2)c(O)c1 ZINC000843053873 640256161 /nfs/dbraw/zinc/25/61/61/640256161.db2.gz VRRZMOWPNWPWHX-DOMZBBRYSA-N 1 3 278.396 2.350 20 10 CECDHO CN(C)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000843059939 640263180 /nfs/dbraw/zinc/26/31/80/640263180.db2.gz VQTPVOWWXPWHGM-DZKIICNBSA-N 1 3 291.414 2.451 20 10 CECDHO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([O-])c1 ZINC000843112658 640285226 /nfs/dbraw/zinc/28/52/26/640285226.db2.gz KWZXPBOXMGIWGZ-ZDUSSCGKSA-N 1 3 278.396 2.352 20 10 CECDHO CCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([O-])c1 ZINC000843112658 640285236 /nfs/dbraw/zinc/28/52/36/640285236.db2.gz KWZXPBOXMGIWGZ-ZDUSSCGKSA-N 1 3 278.396 2.352 20 10 CECDHO CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c([O-])c1 ZINC000844911104 640864214 /nfs/dbraw/zinc/86/42/14/640864214.db2.gz KKAIUTYQRYXABT-UHFFFAOYSA-N 1 3 278.396 2.352 20 10 CECDHO CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745670 643530414 /nfs/dbraw/zinc/53/04/14/643530414.db2.gz ZNTFGXNVLDPJES-OAHLLOKOSA-N 1 3 290.407 2.125 20 10 CECDHO CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745670 643530420 /nfs/dbraw/zinc/53/04/20/643530420.db2.gz ZNTFGXNVLDPJES-OAHLLOKOSA-N 1 3 290.407 2.125 20 10 CECDHO COc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1[O-] ZINC000091844414 803389089 /nfs/dbraw/zinc/38/90/89/803389089.db2.gz BSOCLWBBQLTHST-UHFFFAOYSA-N 1 3 264.369 2.103 20 10 CECDHO COc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1[O-] ZINC000091844414 803389094 /nfs/dbraw/zinc/38/90/94/803389094.db2.gz BSOCLWBBQLTHST-UHFFFAOYSA-N 1 3 264.369 2.103 20 10 CECDHO COc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1O ZINC000375469501 374659604 /nfs/dbraw/zinc/65/96/04/374659604.db2.gz ANQCGILMXPLVLX-UHFFFAOYSA-N 1 3 290.407 2.461 20 10 CECDHO COc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1O ZINC000375469501 374659607 /nfs/dbraw/zinc/65/96/07/374659607.db2.gz ANQCGILMXPLVLX-UHFFFAOYSA-N 1 3 290.407 2.461 20 10 CECDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000179630672 261804398 /nfs/dbraw/zinc/80/43/98/261804398.db2.gz LYPXFPAXZXZBBF-HNNXBMFYSA-N 1 3 261.413 2.136 20 10 CECDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000179630672 261804400 /nfs/dbraw/zinc/80/44/00/261804400.db2.gz LYPXFPAXZXZBBF-HNNXBMFYSA-N 1 3 261.413 2.136 20 10 CECDHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1C ZINC000310793636 627283797 /nfs/dbraw/zinc/28/37/97/627283797.db2.gz VLOGCVBBROOUII-GFCCVEGCSA-N 1 3 250.386 2.291 20 10 CECDHO Cc1cc(Br)cc(C[NH2+]C[C@H](C)C[NH3+])c1[O-] ZINC000841048483 632351751 /nfs/dbraw/zinc/35/17/51/632351751.db2.gz JFYVOBJXHZJDCJ-MRVPVSSYSA-N 1 3 287.201 2.148 20 10 CECDHO C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817953863 633797605 /nfs/dbraw/zinc/79/76/05/633797605.db2.gz VKVUAVCSXLWIKM-QXEWZRGKSA-N 1 3 252.333 2.407 20 10 CECDHO [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817959509 633800853 /nfs/dbraw/zinc/80/08/53/633800853.db2.gz GTXDJKTUGNJDAL-IHRRRGAJSA-N 1 3 260.381 2.487 20 10 CECDHO C[C@@H](NCC1C[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817964600 633805742 /nfs/dbraw/zinc/80/57/42/633805742.db2.gz CXYNRHJLEJOMJR-LLVKDONJSA-N 1 3 260.381 2.141 20 10 CECDHO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)ccc1[O-] ZINC000817982238 633825292 /nfs/dbraw/zinc/82/52/92/633825292.db2.gz PRJCKKCOFDHBSZ-UMNHJUIQSA-N 1 3 252.333 2.309 20 10 CECDHO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[O-] ZINC000817987070 633828859 /nfs/dbraw/zinc/82/88/59/633828859.db2.gz PSMWJLOSEOHKEF-IGQOVBAYSA-N 1 3 260.381 2.431 20 10 CECDHO COc1cccc([O-])c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818431221 633920954 /nfs/dbraw/zinc/92/09/54/633920954.db2.gz HBBUOELCRMBDBT-CYBMUJFWSA-N 1 3 290.407 2.365 20 10 CECDHO COc1cccc([O-])c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818431221 633920959 /nfs/dbraw/zinc/92/09/59/633920959.db2.gz HBBUOELCRMBDBT-CYBMUJFWSA-N 1 3 290.407 2.365 20 10 CECDHO Cc1cc(N(C)C)ccc1CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967477 635401166 /nfs/dbraw/zinc/40/11/66/635401166.db2.gz JTOKIEHVAVJKCQ-HIFRSBDPSA-N 1 3 261.413 2.006 20 10 CECDHO CCOc1ccc(O)c(CN[C@@H](C[NH3+])C2CCCC2)c1 ZINC000841085615 637366543 /nfs/dbraw/zinc/36/65/43/637366543.db2.gz AACMKWOTOASZAK-HNNXBMFYSA-N 1 3 278.396 2.398 20 10 CECDHO CN(C)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000841056963 639634216 /nfs/dbraw/zinc/63/42/16/639634216.db2.gz GHHHPHFILQXGPU-STQMWFEESA-N 1 3 265.376 2.251 20 10 CECDHO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000841056956 639634360 /nfs/dbraw/zinc/63/43/60/639634360.db2.gz GHHHPHFILQXGPU-CHWSQXEVSA-N 1 3 265.376 2.251 20 10 CECDHO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c([O-])c1 ZINC000841054622 639634666 /nfs/dbraw/zinc/63/46/66/639634666.db2.gz FVRRXICRXYJECQ-CHWSQXEVSA-N 1 3 264.369 2.150 20 10 CECDHO CCOCc1cc(C[NH2+][C@H](C)[C@@H](C)N)ccc1OC ZINC000841079557 639648838 /nfs/dbraw/zinc/64/88/38/639648838.db2.gz KUXUJAQRNYQZTG-VXGBXAGGSA-N 1 3 266.385 2.057 20 10 CECDHO C[C@@H]1C[C@@H](C[NH3+])CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843058701 640261755 /nfs/dbraw/zinc/26/17/55/640261755.db2.gz WHAMBXSFODACND-SBAHZNLJSA-N 1 3 273.424 2.435 20 10 CECDHO Cc1cc(O)c(CN2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000843120883 640289247 /nfs/dbraw/zinc/28/92/47/640289247.db2.gz XGPUQCKGKVIECD-INIZCTEOSA-N 1 3 260.381 2.194 20 10 CECDHO CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c([O-])c1 ZINC000853247324 643721014 /nfs/dbraw/zinc/72/10/14/643721014.db2.gz LVKQMYPCEOHDFN-CQSZACIVSA-N 1 3 266.385 2.254 20 10 CECDHO