smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000723674922 802922829 /nfs/dbraw/zinc/92/28/29/802922829.db2.gz KPXSAFVHPVPJRI-JTQLQIEISA-N 2 1 299.212 2.325 20 10 CECDMP COc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1O ZINC000700819770 809357888 /nfs/dbraw/zinc/35/78/88/809357888.db2.gz TXGKXKKPEVKBNO-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1C[NH3+] ZINC000708898788 809937647 /nfs/dbraw/zinc/93/76/47/809937647.db2.gz APDJIEFJEXLONP-MWLCHTKSSA-N 2 1 299.212 2.181 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC000923503699 810105757 /nfs/dbraw/zinc/10/57/57/810105757.db2.gz LDNFUURRVMDTAZ-JQWIXIFHSA-N 2 1 294.370 2.151 20 10 CECDMP CN1CCCc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc21 ZINC001206163354 815349826 /nfs/dbraw/zinc/34/98/26/815349826.db2.gz BUPFADBAAHPETF-HZPDHXFCSA-N 2 1 291.414 2.330 20 10 CECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C)CC3)cc2F)CC1 ZINC001116488070 814857362 /nfs/dbraw/zinc/85/73/62/814857362.db2.gz LIDKMYHFLDAIGY-UHFFFAOYSA-N 2 1 291.414 2.467 20 10 CECDMP COc1cc(C[NH+]2CCSCC2)cc(C[NH+](C)C)c1O ZINC001139256362 815996659 /nfs/dbraw/zinc/99/66/59/815996659.db2.gz ZOPIVHQCTXSXRH-UHFFFAOYSA-N 2 1 296.436 2.011 20 10 CECDMP [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912405 /nfs/dbraw/zinc/91/24/05/373912405.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912413 /nfs/dbraw/zinc/91/24/13/373912413.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912418 /nfs/dbraw/zinc/91/24/18/373912418.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 2 1 290.382 2.447 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1N(C)C ZINC000293212264 377474029 /nfs/dbraw/zinc/47/40/29/377474029.db2.gz UZPIAAGBUIIVCM-INIZCTEOSA-N 2 1 275.440 2.445 20 10 CECDMP Oc1cccc2c1[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217566 380197202 /nfs/dbraw/zinc/19/72/02/380197202.db2.gz UAVNJYAOGDBZSK-OCCSQVGLSA-N 2 1 258.365 2.254 20 10 CECDMP CCOCc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000266113959 394660091 /nfs/dbraw/zinc/66/00/91/394660091.db2.gz NLPSRAKZEFNQDZ-UHFFFAOYSA-N 2 1 292.423 2.416 20 10 CECDMP CC[NH+](CC)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362641 260094590 /nfs/dbraw/zinc/09/45/90/260094590.db2.gz AMNCJZJRAXOJPT-UHFFFAOYSA-N 2 1 262.397 2.443 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185008873 262038079 /nfs/dbraw/zinc/03/80/79/262038079.db2.gz XKJGCELCPGDFKY-AWEZNQCLSA-N 2 1 280.412 2.320 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC)c1O ZINC000230744767 333321374 /nfs/dbraw/zinc/32/13/74/333321374.db2.gz UBMDVHQUWYYFEV-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP COc1cc(C)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000894172296 629188244 /nfs/dbraw/zinc/18/82/44/629188244.db2.gz HHWNKSTWTUPOGA-ZDUSSCGKSA-N 2 1 290.407 2.283 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1O ZINC000897621554 631826703 /nfs/dbraw/zinc/82/67/03/631826703.db2.gz IBDZFYLOTSPFBA-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1cccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1O ZINC000897621554 631826709 /nfs/dbraw/zinc/82/67/09/631826709.db2.gz IBDZFYLOTSPFBA-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1O ZINC000897621554 631826713 /nfs/dbraw/zinc/82/67/13/631826713.db2.gz IBDZFYLOTSPFBA-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1O ZINC000897621554 631826722 /nfs/dbraw/zinc/82/67/22/631826722.db2.gz IBDZFYLOTSPFBA-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1O ZINC000897621554 631826727 /nfs/dbraw/zinc/82/67/27/631826727.db2.gz IBDZFYLOTSPFBA-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1O ZINC000897621554 631826729 /nfs/dbraw/zinc/82/67/29/631826729.db2.gz IBDZFYLOTSPFBA-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1O ZINC000897621554 631826736 /nfs/dbraw/zinc/82/67/36/631826736.db2.gz IBDZFYLOTSPFBA-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000817866287 633747593 /nfs/dbraw/zinc/74/75/93/633747593.db2.gz WWHDCIZOHXOKFR-NQBHXWOUSA-N 2 1 266.360 2.337 20 10 CECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000817866287 633747597 /nfs/dbraw/zinc/74/75/97/633747597.db2.gz WWHDCIZOHXOKFR-NQBHXWOUSA-N 2 1 266.360 2.337 20 10 CECDMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817961030 633803703 /nfs/dbraw/zinc/80/37/03/633803703.db2.gz WJZDJZFJOLZDNE-LBPRGKRZSA-N 2 1 295.402 2.050 20 10 CECDMP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817966993 633810268 /nfs/dbraw/zinc/81/02/68/633810268.db2.gz BJXXCLITSGDXMH-AWEZNQCLSA-N 2 1 264.344 2.492 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817976419 633819604 /nfs/dbraw/zinc/81/96/04/633819604.db2.gz LUGJVKKJJCVAOU-RYUDHWBXSA-N 2 1 294.395 2.347 20 10 CECDMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977749 633821056 /nfs/dbraw/zinc/82/10/56/633821056.db2.gz OCIQQWVBASRZCU-AGIUHOORSA-N 2 1 295.402 2.049 20 10 CECDMP CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(C[NH3+])cc2)cc1 ZINC000904353227 635585652 /nfs/dbraw/zinc/58/56/52/635585652.db2.gz JJWVZFODBCIOJY-GOSISDBHSA-N 2 1 298.434 2.001 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410566 635616688 /nfs/dbraw/zinc/61/66/88/635616688.db2.gz OQWIUXGPQADDIN-LSDHHAIUSA-N 2 1 275.440 2.478 20 10 CECDMP Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841087126 637537411 /nfs/dbraw/zinc/53/74/11/637537411.db2.gz NBADVLLGPVCQSA-ZFWWWQNUSA-N 2 1 260.381 2.356 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000228537558 639641245 /nfs/dbraw/zinc/64/12/45/639641245.db2.gz JIJQCWKKEAFYER-NWANDNLSSA-N 2 1 290.407 2.350 20 10 CECDMP CCOc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1O ZINC000841087454 639651742 /nfs/dbraw/zinc/65/17/42/639651742.db2.gz NTVUBFZQSVWUJB-CQSZACIVSA-N 2 1 278.396 2.398 20 10 CECDMP Cc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000843047577 640252826 /nfs/dbraw/zinc/25/28/26/640252826.db2.gz XTHDJVVUAAPTHD-YIONKMFJSA-N 2 1 260.381 2.415 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048520 640252947 /nfs/dbraw/zinc/25/29/47/640252947.db2.gz FDSFQFMWAZUSNG-HNNXBMFYSA-N 2 1 261.413 2.313 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000843059206 640261017 /nfs/dbraw/zinc/26/10/17/640261017.db2.gz GEADEVANBDSKQG-NWANDNLSSA-N 2 1 260.381 2.260 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(O)c1 ZINC000843112657 640285494 /nfs/dbraw/zinc/28/54/94/640285494.db2.gz KWZXPBOXMGIWGZ-CYBMUJFWSA-N 2 1 278.396 2.352 20 10 CECDMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127192 640293350 /nfs/dbraw/zinc/29/33/50/640293350.db2.gz BKICCSMHWIWXCT-AWEZNQCLSA-N 2 1 260.381 2.465 20 10 CECDMP Cc1[nH+]ccn1CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000843350001 640399720 /nfs/dbraw/zinc/39/97/20/640399720.db2.gz HSRAHTHUXQNISR-UHFFFAOYSA-N 2 1 284.407 2.493 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1O ZINC000843377581 640411355 /nfs/dbraw/zinc/41/13/55/640411355.db2.gz DIMUPFDRAYDSKN-LBPRGKRZSA-N 2 1 294.370 2.295 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000846703820 641403638 /nfs/dbraw/zinc/40/36/38/641403638.db2.gz QLINSTAQXHMYMC-ZFWWWQNUSA-N 2 1 261.413 2.373 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1N(C)C ZINC000923516015 643747320 /nfs/dbraw/zinc/74/73/20/643747320.db2.gz QSRGKQZOVWZWMO-JKSUJKDBSA-N 2 1 273.424 2.102 20 10 CECDMP CCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877739428 650880813 /nfs/dbraw/zinc/88/08/13/650880813.db2.gz FUCZOVXXBGYEJP-HOCLYGCPSA-N 2 1 274.408 2.481 20 10 CECDMP CCc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877739428 650880817 /nfs/dbraw/zinc/88/08/17/650880817.db2.gz FUCZOVXXBGYEJP-HOCLYGCPSA-N 2 1 274.408 2.481 20 10 CECDMP CCc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000877739428 650880820 /nfs/dbraw/zinc/88/08/20/650880820.db2.gz FUCZOVXXBGYEJP-HOCLYGCPSA-N 2 1 274.408 2.481 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877743380 650889196 /nfs/dbraw/zinc/88/91/96/650889196.db2.gz KFORQDUAFFEYNF-NVXWUHKLSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877743380 650889197 /nfs/dbraw/zinc/88/91/97/650889197.db2.gz KFORQDUAFFEYNF-NVXWUHKLSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877743380 650889199 /nfs/dbraw/zinc/88/91/99/650889199.db2.gz KFORQDUAFFEYNF-NVXWUHKLSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877743380 650889203 /nfs/dbraw/zinc/88/92/03/650889203.db2.gz KFORQDUAFFEYNF-NVXWUHKLSA-N 2 1 273.424 2.279 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000763617968 645560856 /nfs/dbraw/zinc/56/08/56/645560856.db2.gz YGXSCDJBBBUDAB-ZDUSSCGKSA-N 2 1 278.396 2.317 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000770352397 646381979 /nfs/dbraw/zinc/38/19/79/646381979.db2.gz NLDIEIVAAZUKMW-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000770352397 646381983 /nfs/dbraw/zinc/38/19/83/646381983.db2.gz NLDIEIVAAZUKMW-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000770352397 646381988 /nfs/dbraw/zinc/38/19/88/646381988.db2.gz NLDIEIVAAZUKMW-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC000862352915 646408487 /nfs/dbraw/zinc/40/84/87/646408487.db2.gz JCRVITHSHDGDHM-CYBMUJFWSA-N 2 1 278.396 2.363 20 10 CECDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000779025979 647283121 /nfs/dbraw/zinc/28/31/21/647283121.db2.gz RTTNGQCBZIXMPC-MRXNPFEDSA-N 2 1 292.423 2.325 20 10 CECDMP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1O ZINC000873251488 649609989 /nfs/dbraw/zinc/60/99/89/649609989.db2.gz VZNGENRJGZZHRU-SUZMYJTESA-N 2 1 252.333 2.309 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128315694 651410023 /nfs/dbraw/zinc/41/00/23/651410023.db2.gz QYTFQCUPJHGXED-LLVKDONJSA-N 2 1 268.788 2.477 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128315694 651410025 /nfs/dbraw/zinc/41/00/25/651410025.db2.gz QYTFQCUPJHGXED-LLVKDONJSA-N 2 1 268.788 2.477 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000723888126 802963873 /nfs/dbraw/zinc/96/38/73/802963873.db2.gz WFVLLCZSQXCFIY-CHWSQXEVSA-N 2 1 278.396 2.208 20 10 CECDMP Cc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1O ZINC000702405370 809551243 /nfs/dbraw/zinc/55/12/43/809551243.db2.gz NYFSRCJFLFCVQG-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1O ZINC000702405370 809551247 /nfs/dbraw/zinc/55/12/47/809551247.db2.gz NYFSRCJFLFCVQG-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1O ZINC000702405370 809551249 /nfs/dbraw/zinc/55/12/49/809551249.db2.gz NYFSRCJFLFCVQG-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1C(F)(F)F ZINC000704353290 809730089 /nfs/dbraw/zinc/73/00/89/809730089.db2.gz YFWLSSSFQXNQQY-RYUDHWBXSA-N 2 1 288.313 2.351 20 10 CECDMP C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001205995792 811292865 /nfs/dbraw/zinc/29/28/65/811292865.db2.gz QLQJHTKIOMVPAW-NWDGAFQWSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCC[C@@H]1C[NH3+] ZINC001205995792 811292871 /nfs/dbraw/zinc/29/28/71/811292871.db2.gz QLQJHTKIOMVPAW-NWDGAFQWSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCC[C@@H]1C[NH3+] ZINC001205995792 811292873 /nfs/dbraw/zinc/29/28/73/811292873.db2.gz QLQJHTKIOMVPAW-NWDGAFQWSA-N 2 1 266.360 2.338 20 10 CECDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@H]2C1 ZINC001140060083 816180469 /nfs/dbraw/zinc/18/04/69/816180469.db2.gz KCDVARUWCOPKPI-ZIAGYGMSSA-N 2 1 278.371 2.305 20 10 CECDMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001140183311 816205644 /nfs/dbraw/zinc/20/56/44/816205644.db2.gz BMFSKXYKKGOAPV-RHSMWYFYSA-N 2 1 274.408 2.393 20 10 CECDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001206293403 816522076 /nfs/dbraw/zinc/52/20/76/816522076.db2.gz HLLMOXGYFYVAAR-OAHLLOKOSA-N 2 1 264.369 2.049 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375471797 374659790 /nfs/dbraw/zinc/65/97/90/374659790.db2.gz IESZCJPNBKMQFM-UHFFFAOYSA-N 2 1 290.407 2.461 20 10 CECDMP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1O ZINC000093644616 394668283 /nfs/dbraw/zinc/66/82/83/394668283.db2.gz OMZBXQHDPSCQRE-JSGCOSHPSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1O ZINC000093644616 394668288 /nfs/dbraw/zinc/66/82/88/394668288.db2.gz OMZBXQHDPSCQRE-JSGCOSHPSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000093644616 394668291 /nfs/dbraw/zinc/66/82/91/394668291.db2.gz OMZBXQHDPSCQRE-JSGCOSHPSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000093644616 394668296 /nfs/dbraw/zinc/66/82/96/394668296.db2.gz OMZBXQHDPSCQRE-JSGCOSHPSA-N 2 1 278.396 2.315 20 10 CECDMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185144774 262043987 /nfs/dbraw/zinc/04/39/87/262043987.db2.gz GLXROUHJKQIRHZ-CQSZACIVSA-N 2 1 292.423 2.462 20 10 CECDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252672932 334384846 /nfs/dbraw/zinc/38/48/46/334384846.db2.gz FFWANYUIQZTHRI-CABCVRRESA-N 2 1 260.381 2.417 20 10 CECDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(F)ccc2O)CCCO1 ZINC000277646514 524592479 /nfs/dbraw/zinc/59/24/79/524592479.db2.gz YUSNJEXUKGOGHP-ZDUSSCGKSA-N 2 1 296.386 2.122 20 10 CECDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)ccc2O)CCCO1 ZINC000277646514 524592485 /nfs/dbraw/zinc/59/24/85/524592485.db2.gz YUSNJEXUKGOGHP-ZDUSSCGKSA-N 2 1 296.386 2.122 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000090720993 623499932 /nfs/dbraw/zinc/49/99/32/623499932.db2.gz PCOSUZSMJNLATG-UKRRQHHQSA-N 2 1 261.413 2.325 20 10 CECDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000313395051 628594032 /nfs/dbraw/zinc/59/40/32/628594032.db2.gz SOJYKKGPVQKIER-SWLSCSKDSA-N 2 1 272.392 2.453 20 10 CECDMP CCOc1ccc(O)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000809729881 632133758 /nfs/dbraw/zinc/13/37/58/632133758.db2.gz QVNXPLPXFRNBFB-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000809729881 632133762 /nfs/dbraw/zinc/13/37/62/632133762.db2.gz QVNXPLPXFRNBFB-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000898309864 632167374 /nfs/dbraw/zinc/16/73/74/632167374.db2.gz PIDJUCZQNPLIMC-UHFFFAOYSA-N 2 1 294.395 2.141 20 10 CECDMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000898309864 632167375 /nfs/dbraw/zinc/16/73/75/632167375.db2.gz PIDJUCZQNPLIMC-UHFFFAOYSA-N 2 1 294.395 2.141 20 10 CECDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2O)C[C@@H]1C[NH3+] ZINC000817866289 633747573 /nfs/dbraw/zinc/74/75/73/633747573.db2.gz WWHDCIZOHXOKFR-WZRBSPASSA-N 2 1 266.360 2.337 20 10 CECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C[NH3+] ZINC000817866289 633747580 /nfs/dbraw/zinc/74/75/80/633747580.db2.gz WWHDCIZOHXOKFR-WZRBSPASSA-N 2 1 266.360 2.337 20 10 CECDMP COC[C@@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCC[NH2+]1 ZINC000817973684 633816577 /nfs/dbraw/zinc/81/65/77/633816577.db2.gz GIKGBLKNTYJIJU-YOEHRIQHSA-N 2 1 292.423 2.428 20 10 CECDMP COC[C@@]1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCC[NH2+]1 ZINC000817975142 633818831 /nfs/dbraw/zinc/81/88/31/633818831.db2.gz RCBPZOXTQCYMOW-BBRMVZONSA-N 2 1 278.396 2.120 20 10 CECDMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1O ZINC000817984712 633828755 /nfs/dbraw/zinc/82/87/55/633828755.db2.gz XQOWHCZFXPNMJZ-SNVBAGLBSA-N 2 1 252.333 2.324 20 10 CECDMP CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1F ZINC000841077040 635113923 /nfs/dbraw/zinc/11/39/23/635113923.db2.gz XBRVJCXYOSSZTQ-VXGBXAGGSA-N 2 1 267.392 2.497 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903461875 635127091 /nfs/dbraw/zinc/12/70/91/635127091.db2.gz ZJDLJBRHBNALAO-CABCVRRESA-N 2 1 291.439 2.191 20 10 CECDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904358323 635590408 /nfs/dbraw/zinc/59/04/08/635590408.db2.gz LFBSDQOFSGFXSN-HNNXBMFYSA-N 2 1 262.397 2.475 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000904420529 635631915 /nfs/dbraw/zinc/63/19/15/635631915.db2.gz RQYOFHCNPWGLTB-NWDGAFQWSA-N 2 1 280.799 2.395 20 10 CECDMP Cc1cc(Br)c(O)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906517343 636765352 /nfs/dbraw/zinc/76/53/52/636765352.db2.gz NETXQHDZJZFWRY-MGCOHNPYSA-N 2 1 285.185 2.042 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841085705 637394283 /nfs/dbraw/zinc/39/42/83/637394283.db2.gz BCCSQKGMBLNCIT-CZUORRHYSA-N 2 1 290.407 2.365 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088344 637701964 /nfs/dbraw/zinc/70/19/64/637701964.db2.gz VCEBBHIKFXNPRG-SWLSCSKDSA-N 2 1 278.371 2.495 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088344 637701967 /nfs/dbraw/zinc/70/19/67/637701967.db2.gz VCEBBHIKFXNPRG-SWLSCSKDSA-N 2 1 278.371 2.495 20 10 CECDMP COc1ccc(O)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000835063706 638045684 /nfs/dbraw/zinc/04/56/84/638045684.db2.gz PIBGJJTVIMAVER-UHFFFAOYSA-N 2 1 278.396 2.365 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843123844 640291162 /nfs/dbraw/zinc/29/11/62/640291162.db2.gz QIGYUXPLKLUOLV-INIZCTEOSA-N 2 1 260.381 2.276 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843124240 640291280 /nfs/dbraw/zinc/29/12/80/640291280.db2.gz WJQQPJJJHDKCQU-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP Oc1c(F)cccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843127443 640294800 /nfs/dbraw/zinc/29/48/00/640294800.db2.gz RCWBYOBMVSFLIN-ZDUSSCGKSA-N 2 1 278.371 2.353 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846142289 641199361 /nfs/dbraw/zinc/19/93/61/641199361.db2.gz ZVKIHDFJTONYLT-QWHCGFSZSA-N 2 1 278.396 2.393 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(O)c1 ZINC000846699696 641401052 /nfs/dbraw/zinc/40/10/52/641401052.db2.gz VVZUCDTVXGHNJA-AAEUAGOBSA-N 2 1 264.369 2.103 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252861333 641591527 /nfs/dbraw/zinc/59/15/27/641591527.db2.gz NLZNUUCMCVIGPL-BHYGNILZSA-N 2 1 273.424 2.312 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923282745 643638479 /nfs/dbraw/zinc/63/84/79/643638479.db2.gz PWVXKHAEBWDFKH-MRXNPFEDSA-N 2 1 275.440 2.492 20 10 CECDMP Cc1cc(Cl)cc(C[NH2+]CC23CC(C2)C[NH2+]3)c1O ZINC000853245648 643719862 /nfs/dbraw/zinc/71/98/62/643719862.db2.gz ARSIRSVZLRLEIO-UHFFFAOYSA-N 2 1 266.772 2.196 20 10 CECDMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C)cc1O ZINC000854226174 644016323 /nfs/dbraw/zinc/01/63/23/644016323.db2.gz DRBFJUYWEBEAFU-CXOJTPOUSA-N 2 1 260.381 2.493 20 10 CECDMP Cc1cccc(O)c1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743054 650888379 /nfs/dbraw/zinc/88/83/79/650888379.db2.gz TUDPNUHVEJONRF-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743054 650888381 /nfs/dbraw/zinc/88/83/81/650888381.db2.gz TUDPNUHVEJONRF-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743054 650888382 /nfs/dbraw/zinc/88/83/82/650888382.db2.gz TUDPNUHVEJONRF-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743573 650888659 /nfs/dbraw/zinc/88/86/59/650888659.db2.gz LDWKPFMVCQBOQU-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743573 650888660 /nfs/dbraw/zinc/88/86/60/650888660.db2.gz LDWKPFMVCQBOQU-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743573 650888661 /nfs/dbraw/zinc/88/86/61/650888661.db2.gz LDWKPFMVCQBOQU-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743573 650888665 /nfs/dbraw/zinc/88/86/65/650888665.db2.gz LDWKPFMVCQBOQU-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877743384 650889308 /nfs/dbraw/zinc/88/93/08/650889308.db2.gz KFORQDUAFFEYNF-WBVHZDCISA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877743384 650889310 /nfs/dbraw/zinc/88/93/10/650889310.db2.gz KFORQDUAFFEYNF-WBVHZDCISA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877743384 650889313 /nfs/dbraw/zinc/88/93/13/650889313.db2.gz KFORQDUAFFEYNF-WBVHZDCISA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877743384 650889315 /nfs/dbraw/zinc/88/93/15/650889315.db2.gz KFORQDUAFFEYNF-WBVHZDCISA-N 2 1 273.424 2.279 20 10 CECDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000839183312 644182371 /nfs/dbraw/zinc/18/23/71/644182371.db2.gz WFAGAINRNUGRMD-AWEZNQCLSA-N 2 1 274.408 2.443 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768464822 646128368 /nfs/dbraw/zinc/12/83/68/646128368.db2.gz AVMWVOFWJCWSNE-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768464822 646128370 /nfs/dbraw/zinc/12/83/70/646128370.db2.gz AVMWVOFWJCWSNE-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768464822 646128373 /nfs/dbraw/zinc/12/83/73/646128373.db2.gz AVMWVOFWJCWSNE-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000863653031 646778286 /nfs/dbraw/zinc/77/82/86/646778286.db2.gz YFYHBZZRFXGUEK-CALCHBBNSA-N 2 1 290.407 2.222 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000863653031 646778288 /nfs/dbraw/zinc/77/82/88/646778288.db2.gz YFYHBZZRFXGUEK-CALCHBBNSA-N 2 1 290.407 2.222 20 10 CECDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000793771597 648796076 /nfs/dbraw/zinc/79/60/76/648796076.db2.gz ZHEBJKOQYIHCBC-GOSISDBHSA-N 2 1 286.419 2.409 20 10 CECDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000793771597 648796077 /nfs/dbraw/zinc/79/60/77/648796077.db2.gz ZHEBJKOQYIHCBC-GOSISDBHSA-N 2 1 286.419 2.409 20 10 CECDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000793771597 648796078 /nfs/dbraw/zinc/79/60/78/648796078.db2.gz ZHEBJKOQYIHCBC-GOSISDBHSA-N 2 1 286.419 2.409 20 10 CECDMP [NH3+][C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001118018310 814977098 /nfs/dbraw/zinc/97/70/98/814977098.db2.gz FXYMOUKMYMEBKF-MRXNPFEDSA-N 2 1 259.397 2.114 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206201234 815740651 /nfs/dbraw/zinc/74/06/51/815740651.db2.gz WLIBFGDWOWVUDX-UONOGXRCSA-N 2 1 282.359 2.052 20 10 CECDMP COc1cc(C[N@@H+]2CCC[C@@H]2CF)cc(C[NH+](C)C)c1O ZINC001139259743 815996636 /nfs/dbraw/zinc/99/66/36/815996636.db2.gz BCUNCAUWCZUJEX-CQSZACIVSA-N 2 1 296.386 2.396 20 10 CECDMP COc1cc(C[N@H+]2CCC[C@@H]2CF)cc(C[NH+](C)C)c1O ZINC001139259743 815996639 /nfs/dbraw/zinc/99/66/39/815996639.db2.gz BCUNCAUWCZUJEX-CQSZACIVSA-N 2 1 296.386 2.396 20 10 CECDMP COc1cc(C[N@H+]2CC[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255600 815996801 /nfs/dbraw/zinc/99/68/01/815996801.db2.gz PLVVKDMVJMSFCV-LBPRGKRZSA-N 2 1 278.396 2.304 20 10 CECDMP CN1CCC([N@@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139114 816483286 /nfs/dbraw/zinc/48/32/86/816483286.db2.gz JNADZZAYYGIIFT-UHFFFAOYSA-N 2 1 289.423 2.041 20 10 CECDMP CN1CCOc2cc(C[N@@H+](C)C3CC[NH+](C)CC3)ccc21 ZINC001141139114 816483300 /nfs/dbraw/zinc/48/33/00/816483300.db2.gz JNADZZAYYGIIFT-UHFFFAOYSA-N 2 1 289.423 2.041 20 10 CECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077329764 343916996 /nfs/dbraw/zinc/91/69/96/343916996.db2.gz QGTHQDAIALNBQV-UHFFFAOYSA-N 2 1 271.364 2.306 20 10 CECDMP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)ccc1O ZINC000233472746 370519117 /nfs/dbraw/zinc/51/91/17/370519117.db2.gz OAMWQHOCSQVWTI-UHFFFAOYSA-N 2 1 254.349 2.305 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)ccc1O ZINC000233472746 370519123 /nfs/dbraw/zinc/51/91/23/370519123.db2.gz OAMWQHOCSQVWTI-UHFFFAOYSA-N 2 1 254.349 2.305 20 10 CECDMP CN(C)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271848588 373203400 /nfs/dbraw/zinc/20/34/00/373203400.db2.gz SNJVFHOSGJQARD-UHFFFAOYSA-N 2 1 259.397 2.104 20 10 CECDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2O)C1 ZINC000290565331 328259418 /nfs/dbraw/zinc/25/94/18/328259418.db2.gz SQNQZWXDSZRNDV-ZFWWWQNUSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2O)C1 ZINC000290565331 328259419 /nfs/dbraw/zinc/25/94/19/328259419.db2.gz SQNQZWXDSZRNDV-ZFWWWQNUSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2O)C1 ZINC000290565331 328259420 /nfs/dbraw/zinc/25/94/20/328259420.db2.gz SQNQZWXDSZRNDV-ZFWWWQNUSA-N 2 1 260.381 2.308 20 10 CECDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(F)ccc2O)CCCO1 ZINC000277646513 524950279 /nfs/dbraw/zinc/95/02/79/524950279.db2.gz YUSNJEXUKGOGHP-CYBMUJFWSA-N 2 1 296.386 2.122 20 10 CECDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)ccc2O)CCCO1 ZINC000277646513 524950285 /nfs/dbraw/zinc/95/02/85/524950285.db2.gz YUSNJEXUKGOGHP-CYBMUJFWSA-N 2 1 296.386 2.122 20 10 CECDMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc2c1OCC2 ZINC000037649483 526428520 /nfs/dbraw/zinc/42/85/20/526428520.db2.gz FUNXFYLJHBBFAL-CQSZACIVSA-N 2 1 272.392 2.195 20 10 CECDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1O ZINC000216020678 628768383 /nfs/dbraw/zinc/76/83/83/628768383.db2.gz MLSJHRBHVAZBOQ-NXEZZACHSA-N 2 1 254.761 2.215 20 10 CECDMP C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519209 634712407 /nfs/dbraw/zinc/71/24/07/634712407.db2.gz XYWGMOCLUSVOQX-JJRVBVJISA-N 2 1 292.471 2.071 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978751 635395207 /nfs/dbraw/zinc/39/52/07/635395207.db2.gz WJQWHAAUBQXKNL-GDBMZVCRSA-N 2 1 275.440 2.478 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000816642268 633455406 /nfs/dbraw/zinc/45/54/06/633455406.db2.gz VCSDTKHEKXSVFX-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000816642268 633455409 /nfs/dbraw/zinc/45/54/09/633455409.db2.gz VCSDTKHEKXSVFX-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000816642268 633455410 /nfs/dbraw/zinc/45/54/10/633455410.db2.gz VCSDTKHEKXSVFX-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817936749 633788001 /nfs/dbraw/zinc/78/80/01/633788001.db2.gz QWUCRUZZGVFZDT-ZDUSSCGKSA-N 2 1 252.333 2.324 20 10 CECDMP COc1ccc(N2CCC([NH2+]CC[NH2+]C3CC3)CC2)cc1 ZINC000817952268 633795729 /nfs/dbraw/zinc/79/57/29/633795729.db2.gz DEVQUFCFAIKNEX-UHFFFAOYSA-N 2 1 289.423 2.006 20 10 CECDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[C@H]21 ZINC000817957715 633800236 /nfs/dbraw/zinc/80/02/36/633800236.db2.gz OMYBXRIVUXEZSS-YESZJQIVSA-N 2 1 273.424 2.274 20 10 CECDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817981695 633825093 /nfs/dbraw/zinc/82/50/93/633825093.db2.gz MSAISSXMQUJVDJ-CMPLNLGQSA-N 2 1 284.787 2.075 20 10 CECDMP CCOc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)c(O)c1 ZINC000841037958 639628513 /nfs/dbraw/zinc/62/85/13/639628513.db2.gz DPXCHZAUIVLHIZ-ZDUSSCGKSA-N 2 1 266.385 2.254 20 10 CECDMP Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079791 639648704 /nfs/dbraw/zinc/64/87/04/639648704.db2.gz NZSNRWLZRNSLLL-LBPRGKRZSA-N 2 1 284.762 2.416 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC000841101052 639656342 /nfs/dbraw/zinc/65/63/42/639656342.db2.gz NHOSMKBNFDUDST-TZMCWYRMSA-N 2 1 278.396 2.208 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000841100811 639666674 /nfs/dbraw/zinc/66/66/74/639666674.db2.gz KPQKJDHVXKXCBT-JSGCOSHPSA-N 2 1 278.396 2.208 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+](C)CCC[NH3+])cc1F ZINC000843050877 640254997 /nfs/dbraw/zinc/25/49/97/640254997.db2.gz TVJWQBMZKTXLBL-UHFFFAOYSA-N 2 1 267.392 2.453 20 10 CECDMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000843052790 640256244 /nfs/dbraw/zinc/25/62/44/640256244.db2.gz WJIHVJJPTNKREU-AYUWKEHRSA-N 2 1 273.424 2.435 20 10 CECDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052446 640256537 /nfs/dbraw/zinc/25/65/37/640256537.db2.gz UEPDNEDXDGHJQW-JSGCOSHPSA-N 2 1 279.403 2.451 20 10 CECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC000843059279 640261700 /nfs/dbraw/zinc/26/17/00/640261700.db2.gz JBZZVXGKYFFZAD-MPKXVKKWSA-N 2 1 264.344 2.091 20 10 CECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC000843059279 640261709 /nfs/dbraw/zinc/26/17/09/640261709.db2.gz JBZZVXGKYFFZAD-MPKXVKKWSA-N 2 1 264.344 2.091 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125438 640292401 /nfs/dbraw/zinc/29/24/01/640292401.db2.gz WNVLESYWUYWOOI-QWHCGFSZSA-N 2 1 278.371 2.353 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125438 640292404 /nfs/dbraw/zinc/29/24/04/640292404.db2.gz WNVLESYWUYWOOI-QWHCGFSZSA-N 2 1 278.371 2.353 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252870856 641592115 /nfs/dbraw/zinc/59/21/15/641592115.db2.gz SPCVDHPUDCHZKK-AEGPPILISA-N 2 1 260.381 2.260 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000070148670 641636978 /nfs/dbraw/zinc/63/69/78/641636978.db2.gz RKDGBWOUVXVBRY-ZDUSSCGKSA-N 2 1 264.369 2.104 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169392 641639605 /nfs/dbraw/zinc/63/96/05/641639605.db2.gz WOVIGAMHFHAMII-AWEZNQCLSA-N 2 1 261.413 2.313 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857230131 644860842 /nfs/dbraw/zinc/86/08/42/644860842.db2.gz ODJANBKOLXDTOA-GDBMZVCRSA-N 2 1 259.397 2.066 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857230131 644860845 /nfs/dbraw/zinc/86/08/45/644860845.db2.gz ODJANBKOLXDTOA-GDBMZVCRSA-N 2 1 259.397 2.066 20 10 CECDMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1C ZINC000697874465 806718469 /nfs/dbraw/zinc/71/84/69/806718469.db2.gz YXQPQRGGFXZYFR-ZDUSSCGKSA-N 2 1 250.386 2.433 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205116735 807702811 /nfs/dbraw/zinc/70/28/11/807702811.db2.gz HKRVYGRLIJHGIK-GFCCVEGCSA-N 2 1 284.787 2.367 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205116735 807702815 /nfs/dbraw/zinc/70/28/15/807702815.db2.gz HKRVYGRLIJHGIK-GFCCVEGCSA-N 2 1 284.787 2.367 20 10 CECDMP CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206201233 815740920 /nfs/dbraw/zinc/74/09/20/815740920.db2.gz WLIBFGDWOWVUDX-KGLIPLIRSA-N 2 1 282.359 2.052 20 10 CECDMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180225235 368373173 /nfs/dbraw/zinc/37/31/73/368373173.db2.gz OAZOTJRRSGBDTF-GFCCVEGCSA-N 2 1 266.360 2.305 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180225235 368373190 /nfs/dbraw/zinc/37/31/90/368373190.db2.gz OAZOTJRRSGBDTF-GFCCVEGCSA-N 2 1 266.360 2.305 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180225235 368373193 /nfs/dbraw/zinc/37/31/93/368373193.db2.gz OAZOTJRRSGBDTF-GFCCVEGCSA-N 2 1 266.360 2.305 20 10 CECDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000183506377 395257895 /nfs/dbraw/zinc/25/78/95/395257895.db2.gz ZCZQCRCPATTXBT-LSDHHAIUSA-N 2 1 292.423 2.280 20 10 CECDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2O)C1 ZINC000290565328 328259432 /nfs/dbraw/zinc/25/94/32/328259432.db2.gz SQNQZWXDSZRNDV-HIFRSBDPSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2O)C1 ZINC000290565328 328259433 /nfs/dbraw/zinc/25/94/33/328259433.db2.gz SQNQZWXDSZRNDV-HIFRSBDPSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2O)C1 ZINC000290565328 328259434 /nfs/dbraw/zinc/25/94/34/328259434.db2.gz SQNQZWXDSZRNDV-HIFRSBDPSA-N 2 1 260.381 2.308 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000249384350 334333065 /nfs/dbraw/zinc/33/30/65/334333065.db2.gz XEGHISNCAZAXPC-OLZOCXBDSA-N 2 1 278.396 2.393 20 10 CECDMP CCOc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1O ZINC000263711891 521362480 /nfs/dbraw/zinc/36/24/80/521362480.db2.gz UQEIMAMINRROKQ-UHFFFAOYSA-N 2 1 289.379 2.476 20 10 CECDMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1O ZINC000037644036 521365555 /nfs/dbraw/zinc/36/55/55/521365555.db2.gz UYBMXJLRAOEISU-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000290414345 524379957 /nfs/dbraw/zinc/37/99/57/524379957.db2.gz KFYQRUKATXVDGR-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000290414345 524379964 /nfs/dbraw/zinc/37/99/64/524379964.db2.gz KFYQRUKATXVDGR-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290414345 524379973 /nfs/dbraw/zinc/37/99/73/524379973.db2.gz KFYQRUKATXVDGR-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290414345 524379983 /nfs/dbraw/zinc/37/99/83/524379983.db2.gz KFYQRUKATXVDGR-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290364722 525338153 /nfs/dbraw/zinc/33/81/53/525338153.db2.gz HBPSFSKQBPYTCX-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290364722 525338162 /nfs/dbraw/zinc/33/81/62/525338162.db2.gz HBPSFSKQBPYTCX-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290364722 525338168 /nfs/dbraw/zinc/33/81/68/525338168.db2.gz HBPSFSKQBPYTCX-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290364722 525338175 /nfs/dbraw/zinc/33/81/75/525338175.db2.gz HBPSFSKQBPYTCX-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000090720997 623543470 /nfs/dbraw/zinc/54/34/70/623543470.db2.gz PCOSUZSMJNLATG-HIFRSBDPSA-N 2 1 261.413 2.325 20 10 CECDMP COc1cccc(O)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000725848914 625827865 /nfs/dbraw/zinc/82/78/65/625827865.db2.gz CRPCXGMQHIOVBM-ZDUSSCGKSA-N 2 1 278.396 2.221 20 10 CECDMP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000178892823 629236269 /nfs/dbraw/zinc/23/62/69/629236269.db2.gz LGQDJMKGMSOHIC-AWEZNQCLSA-N 2 1 262.397 2.393 20 10 CECDMP COC[C@]1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCC[NH2+]1 ZINC000817975146 633819025 /nfs/dbraw/zinc/81/90/25/633819025.db2.gz RCBPZOXTQCYMOW-CZUORRHYSA-N 2 1 278.396 2.120 20 10 CECDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977750 633821093 /nfs/dbraw/zinc/82/10/93/633821093.db2.gz OCIQQWVBASRZCU-AVGNSLFASA-N 2 1 295.402 2.049 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818431622 633921404 /nfs/dbraw/zinc/92/14/04/633921404.db2.gz QEMZNAGYVOCSSG-ZDUSSCGKSA-N 2 1 290.407 2.365 20 10 CECDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904358324 635590302 /nfs/dbraw/zinc/59/03/02/635590302.db2.gz LFBSDQOFSGFXSN-OAHLLOKOSA-N 2 1 262.397 2.475 20 10 CECDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000904410443 635616502 /nfs/dbraw/zinc/61/65/02/635616502.db2.gz DLRKRPJVPQUTQV-WDEREUQCSA-N 2 1 268.788 2.462 20 10 CECDMP Cc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000827856436 636443263 /nfs/dbraw/zinc/44/32/63/636443263.db2.gz PHFJDFRODIALSM-MRXNPFEDSA-N 2 1 292.423 2.243 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cccc2O)C1 ZINC000876783280 650430361 /nfs/dbraw/zinc/43/03/61/650430361.db2.gz YOJXJJUDTJFKQM-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876783280 650430362 /nfs/dbraw/zinc/43/03/62/650430362.db2.gz YOJXJJUDTJFKQM-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876783280 650430365 /nfs/dbraw/zinc/43/03/65/650430365.db2.gz YOJXJJUDTJFKQM-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC[N@@H+]1C ZINC000226612787 639556193 /nfs/dbraw/zinc/55/61/93/639556193.db2.gz WRGSLHMGTXPBLZ-GXFFZTMASA-N 2 1 252.333 2.104 20 10 CECDMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC[N@H+]1C ZINC000226612787 639556196 /nfs/dbraw/zinc/55/61/96/639556196.db2.gz WRGSLHMGTXPBLZ-GXFFZTMASA-N 2 1 252.333 2.104 20 10 CECDMP CCOc1cccc(C[NH2+][C@H](C[NH3+])CC(C)C)c1O ZINC000841038274 639628879 /nfs/dbraw/zinc/62/88/79/639628879.db2.gz IKTHNPNHKPFZAY-ZDUSSCGKSA-N 2 1 266.385 2.254 20 10 CECDMP COc1cccc(O)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000841039703 639629833 /nfs/dbraw/zinc/62/98/33/639629833.db2.gz ZYQMRCKQGIZHLY-UHFFFAOYSA-N 2 1 264.369 2.152 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228537493 639641192 /nfs/dbraw/zinc/64/11/92/639641192.db2.gz NLZNUUCMCVIGPL-USXIJHARSA-N 2 1 273.424 2.312 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088525 639651796 /nfs/dbraw/zinc/65/17/96/639651796.db2.gz YWKVVVPXWFGMFB-DOMZBBRYSA-N 2 1 278.371 2.495 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(O)c1 ZINC000841101048 639660742 /nfs/dbraw/zinc/66/07/42/639660742.db2.gz NHOSMKBNFDUDST-JSGCOSHPSA-N 2 1 278.396 2.208 20 10 CECDMP Oc1c(F)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046147 640251623 /nfs/dbraw/zinc/25/16/23/640251623.db2.gz OLYLJRVQTUJAFW-HNNXBMFYSA-N 2 1 278.371 2.495 20 10 CECDMP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843048637 640253338 /nfs/dbraw/zinc/25/33/38/640253338.db2.gz MLXGEJNUPFEBLJ-SNVBAGLBSA-N 2 1 252.333 2.091 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843052788 640255836 /nfs/dbraw/zinc/25/58/36/640255836.db2.gz WEOIMXPFCYTYMB-WDEREUQCSA-N 2 1 252.333 2.091 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843052788 640255841 /nfs/dbraw/zinc/25/58/41/640255841.db2.gz WEOIMXPFCYTYMB-WDEREUQCSA-N 2 1 252.333 2.091 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000843059204 640261685 /nfs/dbraw/zinc/26/16/85/640261685.db2.gz GEADEVANBDSKQG-AEGPPILISA-N 2 1 260.381 2.260 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843121052 640289003 /nfs/dbraw/zinc/28/90/03/640289003.db2.gz ZRQIXWKNUMMDBC-DDKKJVIOSA-N 2 1 285.435 2.451 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843121052 640289009 /nfs/dbraw/zinc/28/90/09/640289009.db2.gz ZRQIXWKNUMMDBC-DDKKJVIOSA-N 2 1 285.435 2.451 20 10 CECDMP COc1cccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)c1O ZINC000846141749 641199290 /nfs/dbraw/zinc/19/92/90/641199290.db2.gz NHWUIQQNXSLPHZ-NSHDSACASA-N 2 1 275.352 2.257 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000846698519 641400548 /nfs/dbraw/zinc/40/05/48/641400548.db2.gz IHEOOZHPALTUAG-WCQYABFASA-N 2 1 264.369 2.103 20 10 CECDMP Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000877477405 650739369 /nfs/dbraw/zinc/73/93/69/650739369.db2.gz CRURUEKZJURCSP-OAHLLOKOSA-N 2 1 292.423 2.291 20 10 CECDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922273324 642993728 /nfs/dbraw/zinc/99/37/28/642993728.db2.gz FDSTWZRPJADDAH-UHFFFAOYSA-N 2 1 271.364 2.077 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1N(C)C ZINC000923398926 643697177 /nfs/dbraw/zinc/69/71/77/643697177.db2.gz OSHCPQQPELHNPU-DOTOQJQBSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1N(C)C ZINC000923398926 643697180 /nfs/dbraw/zinc/69/71/80/643697180.db2.gz OSHCPQQPELHNPU-DOTOQJQBSA-N 2 1 273.424 2.374 20 10 CECDMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(O)c1 ZINC000877744385 650889843 /nfs/dbraw/zinc/88/98/43/650889843.db2.gz SIKAAYUPYBLJBJ-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(O)c1 ZINC000877744385 650889849 /nfs/dbraw/zinc/88/98/49/650889849.db2.gz SIKAAYUPYBLJBJ-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877744385 650889851 /nfs/dbraw/zinc/88/98/51/650889851.db2.gz SIKAAYUPYBLJBJ-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877744385 650889857 /nfs/dbraw/zinc/88/98/57/650889857.db2.gz SIKAAYUPYBLJBJ-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226155 644858722 /nfs/dbraw/zinc/85/87/22/644858722.db2.gz GARGZGROZNAPFC-XJKSGUPXSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226155 644858726 /nfs/dbraw/zinc/85/87/26/644858726.db2.gz GARGZGROZNAPFC-XJKSGUPXSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC000857226741 644860013 /nfs/dbraw/zinc/86/00/13/644860013.db2.gz YJHPMFGYWLOCHZ-CZUORRHYSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC000857226741 644860015 /nfs/dbraw/zinc/86/00/15/644860015.db2.gz YJHPMFGYWLOCHZ-CZUORRHYSA-N 2 1 276.380 2.104 20 10 CECDMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(O)cc1C ZINC000872723233 649469089 /nfs/dbraw/zinc/46/90/89/649469089.db2.gz KCLPHBZQTGZKDN-HIFRSBDPSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(O)cc1C ZINC000872723233 649469094 /nfs/dbraw/zinc/46/90/94/649469094.db2.gz KCLPHBZQTGZKDN-HIFRSBDPSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(O)cc1C ZINC000872723233 649469097 /nfs/dbraw/zinc/46/90/97/649469097.db2.gz KCLPHBZQTGZKDN-HIFRSBDPSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(O)cc1C ZINC000872723233 649469101 /nfs/dbraw/zinc/46/91/01/649469101.db2.gz KCLPHBZQTGZKDN-HIFRSBDPSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(O)cc1C ZINC000872723234 649469127 /nfs/dbraw/zinc/46/91/27/649469127.db2.gz KCLPHBZQTGZKDN-UKRRQHHQSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(O)cc1C ZINC000872723234 649469130 /nfs/dbraw/zinc/46/91/30/649469130.db2.gz KCLPHBZQTGZKDN-UKRRQHHQSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(O)cc1C ZINC000872723234 649469133 /nfs/dbraw/zinc/46/91/33/649469133.db2.gz KCLPHBZQTGZKDN-UKRRQHHQSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(O)cc1C ZINC000872723234 649469136 /nfs/dbraw/zinc/46/91/36/649469136.db2.gz KCLPHBZQTGZKDN-UKRRQHHQSA-N 2 1 290.407 2.235 20 10 CECDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000131512842 652431940 /nfs/dbraw/zinc/43/19/40/652431940.db2.gz VEINKGLCXFLPLA-CABZTGNLSA-N 2 1 254.761 2.357 20 10 CECDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000131512842 652431942 /nfs/dbraw/zinc/43/19/42/652431942.db2.gz VEINKGLCXFLPLA-CABZTGNLSA-N 2 1 254.761 2.357 20 10 CECDMP c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001118180543 814990956 /nfs/dbraw/zinc/99/09/56/814990956.db2.gz KEDWNINYEMMZGN-WMZOPIPTSA-N 2 1 285.435 2.471 20 10 CECDMP CN1CCCc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206163353 815348717 /nfs/dbraw/zinc/34/87/17/815348717.db2.gz BUPFADBAAHPETF-HOTGVXAUSA-N 2 1 291.414 2.330 20 10 CECDMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1O ZINC000392222453 813299680 /nfs/dbraw/zinc/29/96/80/813299680.db2.gz LLYHTAXZJJMTIV-NSHDSACASA-N 2 1 264.344 2.444 20 10 CECDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1O ZINC000392222453 813299684 /nfs/dbraw/zinc/29/96/84/813299684.db2.gz LLYHTAXZJJMTIV-NSHDSACASA-N 2 1 264.344 2.444 20 10 CECDMP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001206215193 815809163 /nfs/dbraw/zinc/80/91/63/815809163.db2.gz MXKWSUOCXNGUJR-NSHDSACASA-N 2 1 284.350 2.492 20 10 CECDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001206215193 815809171 /nfs/dbraw/zinc/80/91/71/815809171.db2.gz MXKWSUOCXNGUJR-NSHDSACASA-N 2 1 284.350 2.492 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1O ZINC001206292759 816518766 /nfs/dbraw/zinc/51/87/66/816518766.db2.gz DMRKDFMXUTVMLT-INIZCTEOSA-N 2 1 278.396 2.352 20 10 CECDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142512957 816679227 /nfs/dbraw/zinc/67/92/27/816679227.db2.gz RAFNCMHPJGLCPN-PWSUYJOCSA-N 2 1 282.334 2.054 20 10 CECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142512957 816679229 /nfs/dbraw/zinc/67/92/29/816679229.db2.gz RAFNCMHPJGLCPN-PWSUYJOCSA-N 2 1 282.334 2.054 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142512957 816679235 /nfs/dbraw/zinc/67/92/35/816679235.db2.gz RAFNCMHPJGLCPN-PWSUYJOCSA-N 2 1 282.334 2.054 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142512957 816679238 /nfs/dbraw/zinc/67/92/38/816679238.db2.gz RAFNCMHPJGLCPN-PWSUYJOCSA-N 2 1 282.334 2.054 20 10 CECDMP Oc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371463717 373890877 /nfs/dbraw/zinc/89/08/77/373890877.db2.gz KOTGZCZHAUGPED-OWCLPIDISA-N 2 1 272.392 2.308 20 10 CECDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371463717 373890883 /nfs/dbraw/zinc/89/08/83/373890883.db2.gz KOTGZCZHAUGPED-OWCLPIDISA-N 2 1 272.392 2.308 20 10 CECDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371463717 373890890 /nfs/dbraw/zinc/89/08/90/373890890.db2.gz KOTGZCZHAUGPED-OWCLPIDISA-N 2 1 272.392 2.308 20 10 CECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174514727 395124914 /nfs/dbraw/zinc/12/49/14/395124914.db2.gz WBWVGKFYQJODSP-GXTWGEPZSA-N 2 1 279.403 2.464 20 10 CECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[N@H+]1C ZINC000174514727 395124920 /nfs/dbraw/zinc/12/49/20/395124920.db2.gz WBWVGKFYQJODSP-GXTWGEPZSA-N 2 1 279.403 2.464 20 10 CECDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)ccc1O ZINC000290599279 263117630 /nfs/dbraw/zinc/11/76/30/263117630.db2.gz VUXCMXPXPHQSAF-FZMZJTMJSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)ccc1O ZINC000290599279 263117631 /nfs/dbraw/zinc/11/76/31/263117631.db2.gz VUXCMXPXPHQSAF-FZMZJTMJSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)ccc1O ZINC000290599279 263117632 /nfs/dbraw/zinc/11/76/32/263117632.db2.gz VUXCMXPXPHQSAF-FZMZJTMJSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)ccc1O ZINC000290599279 263117633 /nfs/dbraw/zinc/11/76/33/263117633.db2.gz VUXCMXPXPHQSAF-FZMZJTMJSA-N 2 1 266.360 2.303 20 10 CECDMP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000037649323 521364361 /nfs/dbraw/zinc/36/43/61/521364361.db2.gz OCMRKSZEMBIPKD-ZDUSSCGKSA-N 2 1 290.407 2.365 20 10 CECDMP Cc1ccc(O)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289375647 525339428 /nfs/dbraw/zinc/33/94/28/525339428.db2.gz BHTBDVSOHRDPGM-UHFFFAOYSA-N 2 1 293.455 2.016 20 10 CECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC000300417083 622876822 /nfs/dbraw/zinc/87/68/22/622876822.db2.gz KHRRLUPFSIWSQB-LERXQTSPSA-N 2 1 264.344 2.091 20 10 CECDMP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1c[nH+]ccc1N ZINC000817896524 633758185 /nfs/dbraw/zinc/75/81/85/633758185.db2.gz JESNOMIGMDFOMI-GFCCVEGCSA-N 2 1 270.380 2.411 20 10 CECDMP COC[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCC[NH2+]1 ZINC000817974197 633817676 /nfs/dbraw/zinc/81/76/76/633817676.db2.gz JIBZNEXUEWTQQY-CJNGLKHVSA-N 2 1 278.396 2.120 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960107 635369287 /nfs/dbraw/zinc/36/92/87/635369287.db2.gz XEGGFODASWEYBO-INIZCTEOSA-N 2 1 278.371 2.497 20 10 CECDMP C[N@@H+](CCCC[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000835062351 638045169 /nfs/dbraw/zinc/04/51/69/638045169.db2.gz BJPXPUXCCMGTQB-UHFFFAOYSA-N 2 1 266.360 2.495 20 10 CECDMP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000876909571 650482486 /nfs/dbraw/zinc/48/24/86/650482486.db2.gz BRPFLCBYIMIGGH-UHFFFAOYSA-N 2 1 260.381 2.417 20 10 CECDMP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000841102853 639679846 /nfs/dbraw/zinc/67/98/46/639679846.db2.gz AGHNOGLKOFMDOQ-UHFFFAOYSA-N 2 1 256.777 2.395 20 10 CECDMP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000063191252 639838135 /nfs/dbraw/zinc/83/81/35/639838135.db2.gz SUUMTMRUSUTGDK-TZMCWYRMSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000063191252 639838141 /nfs/dbraw/zinc/83/81/41/639838141.db2.gz SUUMTMRUSUTGDK-TZMCWYRMSA-N 2 1 278.396 2.493 20 10 CECDMP Cc1ccc(O)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843043751 640249521 /nfs/dbraw/zinc/24/95/21/640249521.db2.gz GBJUZZNRDSHRCS-UHFFFAOYSA-N 2 1 260.381 2.417 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843044975 640249751 /nfs/dbraw/zinc/24/97/51/640249751.db2.gz OGTCXMMATJMVLX-OAHLLOKOSA-N 2 1 275.440 2.492 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000843047840 640252785 /nfs/dbraw/zinc/25/27/85/640252785.db2.gz YKQPPXRWWXIYGR-OICCZTGUSA-N 2 1 273.424 2.437 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000843056708 640258695 /nfs/dbraw/zinc/25/86/95/640258695.db2.gz XIAQNJIERGECFQ-UHFFFAOYSA-N 2 1 266.385 2.208 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843056605 640258711 /nfs/dbraw/zinc/25/87/11/640258711.db2.gz SBPLGCSYOFHOIJ-UHFFFAOYSA-N 2 1 263.429 2.478 20 10 CECDMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843112332 640285614 /nfs/dbraw/zinc/28/56/14/640285614.db2.gz HJIFGNDESSSBKE-NSHDSACASA-N 2 1 252.333 2.092 20 10 CECDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843112332 640285619 /nfs/dbraw/zinc/28/56/19/640285619.db2.gz HJIFGNDESSSBKE-NSHDSACASA-N 2 1 252.333 2.092 20 10 CECDMP CCOc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843124316 640291119 /nfs/dbraw/zinc/29/11/19/640291119.db2.gz YCTQFEPUUIGDEU-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000844901180 640860218 /nfs/dbraw/zinc/86/02/18/640860218.db2.gz FUSHGFRUFLFPAO-OAHLLOKOSA-N 2 1 291.439 2.063 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000844901179 640860571 /nfs/dbraw/zinc/86/05/71/640860571.db2.gz FUSHGFRUFLFPAO-HNNXBMFYSA-N 2 1 291.439 2.063 20 10 CECDMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)[NH+](C)C ZINC000922255630 642985807 /nfs/dbraw/zinc/98/58/07/642985807.db2.gz VKRRESOBHMUEPV-ZDUSSCGKSA-N 2 1 262.397 2.441 20 10 CECDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843048732 644745566 /nfs/dbraw/zinc/74/55/66/644745566.db2.gz UXGDILBKKWZJIP-MRXNPFEDSA-N 2 1 273.424 2.458 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(O)c1 ZINC000769405491 646260804 /nfs/dbraw/zinc/26/08/04/646260804.db2.gz WSAKXZASOAQDBK-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000863651316 646777251 /nfs/dbraw/zinc/77/72/51/646777251.db2.gz IYMIVMODGHKBRC-CALCHBBNSA-N 2 1 274.408 2.440 20 10 CECDMP COc1cc(O)c(C[N@@H+](C)CCCCCC[NH3+])cc1OC ZINC000873231425 649602848 /nfs/dbraw/zinc/60/28/48/649602848.db2.gz ISMIVXBFVFBXEN-UHFFFAOYSA-N 2 1 296.411 2.360 20 10 CECDMP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1O ZINC000873251487 649609915 /nfs/dbraw/zinc/60/99/15/649609915.db2.gz VZNGENRJGZZHRU-NDMJEZRESA-N 2 1 252.333 2.309 20 10 CECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140184750 816205797 /nfs/dbraw/zinc/20/57/97/816205797.db2.gz GXHYJSRMKNSKDW-GASCZTMLSA-N 2 1 274.408 2.393 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140184750 816205802 /nfs/dbraw/zinc/20/58/02/816205802.db2.gz GXHYJSRMKNSKDW-GASCZTMLSA-N 2 1 274.408 2.393 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1 ZINC001140184750 816205804 /nfs/dbraw/zinc/20/58/04/816205804.db2.gz GXHYJSRMKNSKDW-GASCZTMLSA-N 2 1 274.408 2.393 20 10 CECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140623201 816305898 /nfs/dbraw/zinc/30/58/98/816305898.db2.gz KMESMNKLCOTSNI-IYBDPMFKSA-N 2 1 274.408 2.474 20 10 CECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140623201 816305905 /nfs/dbraw/zinc/30/59/05/816305905.db2.gz KMESMNKLCOTSNI-IYBDPMFKSA-N 2 1 274.408 2.474 20 10 CECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140623201 816305913 /nfs/dbraw/zinc/30/59/13/816305913.db2.gz KMESMNKLCOTSNI-IYBDPMFKSA-N 2 1 274.408 2.474 20 10 CECDMP C[N@@H+]1CC=C(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000271821326 344667492 /nfs/dbraw/zinc/66/74/92/344667492.db2.gz NAMBYUVRTDITOY-UHFFFAOYSA-N 2 1 266.772 2.397 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290626969 344684387 /nfs/dbraw/zinc/68/43/87/344684387.db2.gz XOWGWACDBOMLPG-SWLSCSKDSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290626969 344684390 /nfs/dbraw/zinc/68/43/90/344684390.db2.gz XOWGWACDBOMLPG-SWLSCSKDSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290626969 344684392 /nfs/dbraw/zinc/68/43/92/344684392.db2.gz XOWGWACDBOMLPG-SWLSCSKDSA-N 2 1 278.396 2.173 20 10 CECDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280389 368376089 /nfs/dbraw/zinc/37/60/89/368376089.db2.gz SGRJFCSVXHKMJN-DOMZBBRYSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280389 368376093 /nfs/dbraw/zinc/37/60/93/368376093.db2.gz SGRJFCSVXHKMJN-DOMZBBRYSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280389 368376096 /nfs/dbraw/zinc/37/60/96/368376096.db2.gz SGRJFCSVXHKMJN-DOMZBBRYSA-N 2 1 278.371 2.447 20 10 CECDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)ccc1O ZINC000185116528 368750373 /nfs/dbraw/zinc/75/03/73/368750373.db2.gz JNCSEHMUZLCEKX-LBPRGKRZSA-N 2 1 296.386 2.029 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000273464233 373760080 /nfs/dbraw/zinc/76/00/80/373760080.db2.gz DIOUWAVHYZSHOJ-LBPRGKRZSA-N 2 1 294.395 2.171 20 10 CECDMP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000296253560 285396922 /nfs/dbraw/zinc/39/69/22/285396922.db2.gz BJYHTYLRPFJZGU-OCCSQVGLSA-N 2 1 283.375 2.428 20 10 CECDMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccccc1O ZINC000155114101 261098210 /nfs/dbraw/zinc/09/82/10/261098210.db2.gz PRAYOTLGCASLST-HNNXBMFYSA-N 2 1 280.412 2.401 20 10 CECDMP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000092253760 327191254 /nfs/dbraw/zinc/19/12/54/327191254.db2.gz BHCUGGIDTIDXLM-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000092253760 327191255 /nfs/dbraw/zinc/19/12/55/327191255.db2.gz BHCUGGIDTIDXLM-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000092253760 327191256 /nfs/dbraw/zinc/19/12/56/327191256.db2.gz BHCUGGIDTIDXLM-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000252538503 334382222 /nfs/dbraw/zinc/38/22/22/334382222.db2.gz AQEPXKZNEPWJBO-SOUVJXGZSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000252538503 334382223 /nfs/dbraw/zinc/38/22/23/334382223.db2.gz AQEPXKZNEPWJBO-SOUVJXGZSA-N 2 1 290.407 2.214 20 10 CECDMP CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408222 522209351 /nfs/dbraw/zinc/20/93/51/522209351.db2.gz SLPSOCJEXKAUMG-HNNXBMFYSA-N 2 1 273.424 2.327 20 10 CECDMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000290414343 524378636 /nfs/dbraw/zinc/37/86/36/524378636.db2.gz KFYQRUKATXVDGR-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000290414343 524378641 /nfs/dbraw/zinc/37/86/41/524378641.db2.gz KFYQRUKATXVDGR-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290414343 524378649 /nfs/dbraw/zinc/37/86/49/524378649.db2.gz KFYQRUKATXVDGR-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290414343 524378658 /nfs/dbraw/zinc/37/86/58/524378658.db2.gz KFYQRUKATXVDGR-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP COc1cc(C)cc(C[NH+]2CCC([NH+](C)C)CC2)c1O ZINC000893953332 629063088 /nfs/dbraw/zinc/06/30/88/629063088.db2.gz CPCFLTTYPJYMMU-UHFFFAOYSA-N 2 1 278.396 2.235 20 10 CECDMP Oc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420935 635632979 /nfs/dbraw/zinc/63/29/79/635632979.db2.gz JGDKEWFFCXHQNI-WDEREUQCSA-N 2 1 266.772 2.087 20 10 CECDMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C[NH3+] ZINC000163442076 631586236 /nfs/dbraw/zinc/58/62/36/631586236.db2.gz KGHBBNJMCHHLCD-PWSUYJOCSA-N 2 1 268.788 2.462 20 10 CECDMP Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036484 631961627 /nfs/dbraw/zinc/96/16/27/631961627.db2.gz OXSZYXKHBBPLOY-SECBINFHSA-N 2 1 272.751 2.274 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000817865104 633746535 /nfs/dbraw/zinc/74/65/35/633746535.db2.gz HBIJZNHZPIBODO-UHFFFAOYSA-N 2 1 276.380 2.119 20 10 CECDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887739 633751753 /nfs/dbraw/zinc/75/17/53/633751753.db2.gz DIRASLLKDDEQEU-JKSUJKDBSA-N 2 1 291.464 2.209 20 10 CECDMP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817955004 633798400 /nfs/dbraw/zinc/79/84/00/633798400.db2.gz OFRHNLUFYNEXMY-MNOVXSKESA-N 2 1 252.333 2.182 20 10 CECDMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903954834 635389245 /nfs/dbraw/zinc/38/92/45/635389245.db2.gz GWGGSZGYBVUNRI-ZDUSSCGKSA-N 2 1 284.350 2.338 20 10 CECDMP Cc1cccc(O)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000876689964 650401885 /nfs/dbraw/zinc/40/18/85/650401885.db2.gz CROCKNIVWOEBMD-UHFFFAOYSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000876907476 650481479 /nfs/dbraw/zinc/48/14/79/650481479.db2.gz CKQITJCOVZMZDT-UHFFFAOYSA-N 2 1 260.381 2.417 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044534959 639322082 /nfs/dbraw/zinc/32/20/82/639322082.db2.gz RIDCNRAHBOMUQX-STQMWFEESA-N 2 1 278.396 2.393 20 10 CECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(OC)c1O ZINC000841028330 639621047 /nfs/dbraw/zinc/62/10/47/639621047.db2.gz BEKBTBWBRYTSBB-LBPRGKRZSA-N 2 1 252.358 2.008 20 10 CECDMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000841028982 639621062 /nfs/dbraw/zinc/62/10/62/639621062.db2.gz DCDGIVANLNZUNY-GWCFXTLKSA-N 2 1 252.333 2.138 20 10 CECDMP Cc1cc(Br)cc(C[NH2+][C@@H](C[NH3+])C2CC2)c1O ZINC000841029125 639621672 /nfs/dbraw/zinc/62/16/72/639621672.db2.gz SXTOKBHZHHNKGZ-LBPRGKRZSA-N 2 1 299.212 2.290 20 10 CECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(OC)ccc1O ZINC000841030822 639622681 /nfs/dbraw/zinc/62/26/81/639622681.db2.gz ZVKPSUZCBLHHRQ-GFCCVEGCSA-N 2 1 252.358 2.008 20 10 CECDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841035384 639628115 /nfs/dbraw/zinc/62/81/15/639628115.db2.gz NJKNHNHOAULTKW-BBRMVZONSA-N 2 1 261.413 2.131 20 10 CECDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841038752 639628633 /nfs/dbraw/zinc/62/86/33/639628633.db2.gz PNESJSYHQFOPFD-CYBMUJFWSA-N 2 1 267.392 2.355 20 10 CECDMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1C ZINC000841037648 639628846 /nfs/dbraw/zinc/62/88/46/639628846.db2.gz BXUNBNFGLCRBRH-AWEZNQCLSA-N 2 1 250.386 2.467 20 10 CECDMP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000841049520 639632130 /nfs/dbraw/zinc/63/21/30/639632130.db2.gz SYKUUOLVXUEVRJ-VIFPVBQESA-N 2 1 287.201 2.148 20 10 CECDMP CCOCc1cc(C[NH2+]C[C@H]([NH3+])CC)ccc1OC ZINC000841070140 639642737 /nfs/dbraw/zinc/64/27/37/639642737.db2.gz MBGXOFFYVCSUAA-CQSZACIVSA-N 2 1 266.385 2.059 20 10 CECDMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1C ZINC000841087326 639651609 /nfs/dbraw/zinc/65/16/09/639651609.db2.gz JWJYECRKPUHHGQ-AWEZNQCLSA-N 2 1 250.386 2.467 20 10 CECDMP COc1ccc(O)c(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000841087070 639651911 /nfs/dbraw/zinc/65/19/11/639651911.db2.gz MKBKNPLCTSHYMV-CQSZACIVSA-N 2 1 264.369 2.008 20 10 CECDMP CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000841085597 639652195 /nfs/dbraw/zinc/65/21/95/639652195.db2.gz IEJHEUVOUPQPHV-KRWDZBQOSA-N 2 1 291.439 2.001 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000229104461 639676567 /nfs/dbraw/zinc/67/65/67/639676567.db2.gz INUYZXOVBXQHPS-JOYOIKCWSA-N 2 1 284.787 2.223 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000229104461 639676568 /nfs/dbraw/zinc/67/65/68/639676568.db2.gz INUYZXOVBXQHPS-JOYOIKCWSA-N 2 1 284.787 2.223 20 10 CECDMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191473 639837626 /nfs/dbraw/zinc/83/76/26/639837626.db2.gz SRSSVXUOTVFAAC-CZUORRHYSA-N 2 1 261.413 2.454 20 10 CECDMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191473 639837629 /nfs/dbraw/zinc/83/76/29/639837629.db2.gz SRSSVXUOTVFAAC-CZUORRHYSA-N 2 1 261.413 2.454 20 10 CECDMP Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000877041944 650544110 /nfs/dbraw/zinc/54/41/10/650544110.db2.gz PLIGVHCAFHTXRT-MRXNPFEDSA-N 2 1 292.423 2.027 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000843060220 640263036 /nfs/dbraw/zinc/26/30/36/640263036.db2.gz YEJMOBGIXJVJQV-MAZHCROVSA-N 2 1 290.407 2.350 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1F ZINC000843117326 640287543 /nfs/dbraw/zinc/28/75/43/640287543.db2.gz OOHGVTYDVKCJJO-KRWDZBQOSA-N 2 1 291.414 2.467 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1F ZINC000843117326 640287547 /nfs/dbraw/zinc/28/75/47/640287547.db2.gz OOHGVTYDVKCJJO-KRWDZBQOSA-N 2 1 291.414 2.467 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120158 640289089 /nfs/dbraw/zinc/28/90/89/640289089.db2.gz DZACGQKWRGSZTQ-UHFFFAOYSA-N 2 1 264.344 2.107 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843124238 640290307 /nfs/dbraw/zinc/29/03/07/640290307.db2.gz WJQQPJJJHDKCQU-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP COc1cccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000846158504 641206995 /nfs/dbraw/zinc/20/69/95/641206995.db2.gz HRQQJCXBHYGPJP-GFCCVEGCSA-N 2 1 276.380 2.313 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2O)C1 ZINC000180550376 641467474 /nfs/dbraw/zinc/46/74/74/641467474.db2.gz JFBNIOQVCYOINZ-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180550376 641467477 /nfs/dbraw/zinc/46/74/77/641467477.db2.gz JFBNIOQVCYOINZ-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000180550376 641467482 /nfs/dbraw/zinc/46/74/82/641467482.db2.gz JFBNIOQVCYOINZ-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000252667499 641580925 /nfs/dbraw/zinc/58/09/25/641580925.db2.gz KPODXWJHSJXVKY-KBPBESRZSA-N 2 1 276.380 2.117 20 10 CECDMP Oc1ccccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930846 642200519 /nfs/dbraw/zinc/20/05/19/642200519.db2.gz XQWGJSMDGUXGFG-MRXNPFEDSA-N 2 1 290.407 2.079 20 10 CECDMP C[NH2+]C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000923287982 643641864 /nfs/dbraw/zinc/64/18/64/643641864.db2.gz SXBYNUWXCOEORV-UHFFFAOYSA-N 2 1 261.413 2.245 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231259 649602606 /nfs/dbraw/zinc/60/26/06/649602606.db2.gz BGLKWANZKFAFJU-UHFFFAOYSA-N 2 1 266.385 2.352 20 10 CECDMP COc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128093989 651362937 /nfs/dbraw/zinc/36/29/37/651362937.db2.gz KPYGUAVDDCEKSU-ZIAGYGMSSA-N 2 1 276.380 2.117 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000130620939 652297446 /nfs/dbraw/zinc/29/74/46/652297446.db2.gz JIJQCWKKEAFYER-CFVMTHIKSA-N 2 1 290.407 2.350 20 10 CECDMP CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1O ZINC000883442914 652471847 /nfs/dbraw/zinc/47/18/47/652471847.db2.gz VWHJRZDGMIUNNC-QWHCGFSZSA-N 2 1 296.798 2.464 20 10 CECDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000723670774 802922959 /nfs/dbraw/zinc/92/29/59/802922959.db2.gz NZNFADBFBJYCEM-SNVBAGLBSA-N 2 1 254.761 2.216 20 10 CECDMP C[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000037256081 815124682 /nfs/dbraw/zinc/12/46/82/815124682.db2.gz SSDUPVCPJNKYQU-UHFFFAOYSA-N 2 1 273.424 2.471 20 10 CECDMP [NH3+][C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001205117880 807707680 /nfs/dbraw/zinc/70/76/80/807707680.db2.gz XRMFSOXANXJWOR-SNVBAGLBSA-N 2 1 270.760 2.064 20 10 CECDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001205117880 807707686 /nfs/dbraw/zinc/70/76/86/807707686.db2.gz XRMFSOXANXJWOR-SNVBAGLBSA-N 2 1 270.760 2.064 20 10 CECDMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1C[NH3+] ZINC000708891567 809937718 /nfs/dbraw/zinc/93/77/18/809937718.db2.gz YUOCMBLFWYROMZ-GXSJLCMTSA-N 2 1 254.761 2.072 20 10 CECDMP Cc1c(O)ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1O ZINC001140745269 816341408 /nfs/dbraw/zinc/34/14/08/816341408.db2.gz CIXYRZNTXJRHKV-UHFFFAOYSA-N 2 1 278.396 2.324 20 10 CECDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c1 ZINC000185116336 368749965 /nfs/dbraw/zinc/74/99/65/368749965.db2.gz JCBNWAPXIVIXRZ-CQSZACIVSA-N 2 1 292.423 2.198 20 10 CECDMP CC[C@H](c1ccccc1O)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367325510 373148030 /nfs/dbraw/zinc/14/80/30/373148030.db2.gz DBYNRHLSGRRGKJ-VNHYZAJKSA-N 2 1 260.381 2.337 20 10 CECDMP CC[C@H](c1ccccc1O)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367325510 373148042 /nfs/dbraw/zinc/14/80/42/373148042.db2.gz DBYNRHLSGRRGKJ-VNHYZAJKSA-N 2 1 260.381 2.337 20 10 CECDMP CC[C@H](c1ccccc1O)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367325510 373148050 /nfs/dbraw/zinc/14/80/50/373148050.db2.gz DBYNRHLSGRRGKJ-VNHYZAJKSA-N 2 1 260.381 2.337 20 10 CECDMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000093644863 394669005 /nfs/dbraw/zinc/66/90/05/394669005.db2.gz JWHJZSQMYWCVBL-YPMHNXCESA-N 2 1 292.379 2.035 20 10 CECDMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000093644863 394669007 /nfs/dbraw/zinc/66/90/07/394669007.db2.gz JWHJZSQMYWCVBL-YPMHNXCESA-N 2 1 292.379 2.035 20 10 CECDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CC[NH+]1C ZINC000093644863 394669012 /nfs/dbraw/zinc/66/90/12/394669012.db2.gz JWHJZSQMYWCVBL-YPMHNXCESA-N 2 1 292.379 2.035 20 10 CECDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)CC[NH+]1C ZINC000093644863 394669014 /nfs/dbraw/zinc/66/90/14/394669014.db2.gz JWHJZSQMYWCVBL-YPMHNXCESA-N 2 1 292.379 2.035 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000180392683 261857773 /nfs/dbraw/zinc/85/77/73/261857773.db2.gz QLMHOYJUGCZKML-CQSZACIVSA-N 2 1 290.407 2.319 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289626281 524732925 /nfs/dbraw/zinc/73/29/25/524732925.db2.gz LUWNLBRHKRATHL-YIONKMFJSA-N 2 1 290.407 2.458 20 10 CECDMP COc1ccc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289626281 524732935 /nfs/dbraw/zinc/73/29/35/524732935.db2.gz LUWNLBRHKRATHL-YIONKMFJSA-N 2 1 290.407 2.458 20 10 CECDMP COc1ccc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289626281 524732944 /nfs/dbraw/zinc/73/29/44/524732944.db2.gz LUWNLBRHKRATHL-YIONKMFJSA-N 2 1 290.407 2.458 20 10 CECDMP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000156094678 525950516 /nfs/dbraw/zinc/95/05/16/525950516.db2.gz ZRYRIZJAVFJRRV-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000156094678 525950520 /nfs/dbraw/zinc/95/05/20/525950520.db2.gz ZRYRIZJAVFJRRV-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000156094678 525950524 /nfs/dbraw/zinc/95/05/24/525950524.db2.gz ZRYRIZJAVFJRRV-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000893953331 629063343 /nfs/dbraw/zinc/06/33/43/629063343.db2.gz RXWIWZVNVWEHFD-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP COc1cc(C)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000893953331 629063345 /nfs/dbraw/zinc/06/33/45/629063345.db2.gz RXWIWZVNVWEHFD-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP COc1cc(C)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000893953331 629063349 /nfs/dbraw/zinc/06/33/49/629063349.db2.gz RXWIWZVNVWEHFD-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887737 633751347 /nfs/dbraw/zinc/75/13/47/633751347.db2.gz DIRASLLKDDEQEU-HOTGVXAUSA-N 2 1 291.464 2.209 20 10 CECDMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1O ZINC000817970509 633813235 /nfs/dbraw/zinc/81/32/35/633813235.db2.gz XTVNDIYGVURCKF-WCQGTBRESA-N 2 1 252.333 2.452 20 10 CECDMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000817981688 633825198 /nfs/dbraw/zinc/82/51/98/633825198.db2.gz MPTMIPQYBZEZLJ-KGLIPLIRSA-N 2 1 260.381 2.487 20 10 CECDMP C[C@H]1CC2(C[N@@H+]1Cc1cccc(F)c1O)CC[NH2+]CC2 ZINC000818431916 633921273 /nfs/dbraw/zinc/92/12/73/633921273.db2.gz VYNQEVUSPABINL-LBPRGKRZSA-N 2 1 278.371 2.495 20 10 CECDMP C[C@H]1CC2(C[N@H+]1Cc1cccc(F)c1O)CC[NH2+]CC2 ZINC000818431916 633921278 /nfs/dbraw/zinc/92/12/78/633921278.db2.gz VYNQEVUSPABINL-LBPRGKRZSA-N 2 1 278.371 2.495 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960108 635370106 /nfs/dbraw/zinc/37/01/06/635370106.db2.gz XEGGFODASWEYBO-MRXNPFEDSA-N 2 1 278.371 2.497 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088341 639652252 /nfs/dbraw/zinc/65/22/52/639652252.db2.gz VCEBBHIKFXNPRG-DOMZBBRYSA-N 2 1 278.371 2.495 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088341 639652255 /nfs/dbraw/zinc/65/22/55/639652255.db2.gz VCEBBHIKFXNPRG-DOMZBBRYSA-N 2 1 278.371 2.495 20 10 CECDMP Oc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188447 639837506 /nfs/dbraw/zinc/83/75/06/639837506.db2.gz VIBSKIJIGGZIKY-GJZGRUSLSA-N 2 1 260.381 2.499 20 10 CECDMP Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188447 639837511 /nfs/dbraw/zinc/83/75/11/639837511.db2.gz VIBSKIJIGGZIKY-GJZGRUSLSA-N 2 1 260.381 2.499 20 10 CECDMP COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063191910 639838046 /nfs/dbraw/zinc/83/80/46/639838046.db2.gz PIVXBQGBGUSJLX-RISCZKNCSA-N 2 1 264.369 2.103 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063191910 639838050 /nfs/dbraw/zinc/83/80/50/639838050.db2.gz PIVXBQGBGUSJLX-RISCZKNCSA-N 2 1 264.369 2.103 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH+]2CCC([NH3+])CC2)cc1 ZINC000843047107 640250768 /nfs/dbraw/zinc/25/07/68/640250768.db2.gz GYAJPHBCKXUDLQ-ONEGZZNKSA-N 2 1 259.397 2.189 20 10 CECDMP Cc1cc(O)c(C[NH+]2CCC([NH3+])CC2)c(Cl)c1 ZINC000843047305 640252635 /nfs/dbraw/zinc/25/26/35/640252635.db2.gz KWARKWGIDATECV-UHFFFAOYSA-N 2 1 254.761 2.277 20 10 CECDMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052332 640255899 /nfs/dbraw/zinc/25/58/99/640255899.db2.gz OPTXIDQXOITQHN-UKRRQHHQSA-N 2 1 279.403 2.451 20 10 CECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052332 640255903 /nfs/dbraw/zinc/25/59/03/640255903.db2.gz OPTXIDQXOITQHN-UKRRQHHQSA-N 2 1 279.403 2.451 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843052482 640256088 /nfs/dbraw/zinc/25/60/88/640256088.db2.gz UPLZZGXAVSBEBT-BBRMVZONSA-N 2 1 261.413 2.230 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c(O)c1 ZINC000843053875 640256763 /nfs/dbraw/zinc/25/67/63/640256763.db2.gz VRRZMOWPNWPWHX-SWLSCSKDSA-N 2 1 278.396 2.350 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CN)cc1 ZINC000843054290 640257418 /nfs/dbraw/zinc/25/74/18/640257418.db2.gz JCOIJXRXKOQPKK-MRXNPFEDSA-N 2 1 261.413 2.456 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000843115597 640286186 /nfs/dbraw/zinc/28/61/86/640286186.db2.gz HFHGQBLPVIBGRA-OAHLLOKOSA-N 2 1 265.376 2.062 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000843115597 640286195 /nfs/dbraw/zinc/28/61/95/640286195.db2.gz HFHGQBLPVIBGRA-OAHLLOKOSA-N 2 1 265.376 2.062 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000843123841 640290279 /nfs/dbraw/zinc/29/02/79/640290279.db2.gz QHIZAQQYPZCVRC-KRWDZBQOSA-N 2 1 291.414 2.467 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000843123841 640290283 /nfs/dbraw/zinc/29/02/83/640290283.db2.gz QHIZAQQYPZCVRC-KRWDZBQOSA-N 2 1 291.414 2.467 20 10 CECDMP COc1cccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000846158505 641207228 /nfs/dbraw/zinc/20/72/28/641207228.db2.gz HRQQJCXBHYGPJP-LBPRGKRZSA-N 2 1 276.380 2.313 20 10 CECDMP CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)CC ZINC000846894213 641472274 /nfs/dbraw/zinc/47/22/74/641472274.db2.gz UPDVROMOCOAASM-INIZCTEOSA-N 2 1 294.439 2.307 20 10 CECDMP CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)CC ZINC000846894213 641472277 /nfs/dbraw/zinc/47/22/77/641472277.db2.gz UPDVROMOCOAASM-INIZCTEOSA-N 2 1 294.439 2.307 20 10 CECDMP CCCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@H+](C)CC ZINC000846894213 641472279 /nfs/dbraw/zinc/47/22/79/641472279.db2.gz UPDVROMOCOAASM-INIZCTEOSA-N 2 1 294.439 2.307 20 10 CECDMP CCCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@@H+](C)CC ZINC000846894213 641472282 /nfs/dbraw/zinc/47/22/82/641472282.db2.gz UPDVROMOCOAASM-INIZCTEOSA-N 2 1 294.439 2.307 20 10 CECDMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877736936 650878839 /nfs/dbraw/zinc/87/88/39/650878839.db2.gz CAGOOHVXLXSCCA-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(O)c1 ZINC000877736936 650878844 /nfs/dbraw/zinc/87/88/44/650878844.db2.gz CAGOOHVXLXSCCA-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(O)c1 ZINC000877736936 650878846 /nfs/dbraw/zinc/87/88/46/650878846.db2.gz CAGOOHVXLXSCCA-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854216632 644012955 /nfs/dbraw/zinc/01/29/55/644012955.db2.gz BNZPQFYZGXGJFZ-GRDNDAEWSA-N 2 1 289.423 2.004 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(O)c1C ZINC000854225991 644016605 /nfs/dbraw/zinc/01/66/05/644016605.db2.gz CGTVDYZDDBUMHO-FUJMWEONSA-N 2 1 260.381 2.412 20 10 CECDMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC000857226742 644859844 /nfs/dbraw/zinc/85/98/44/644859844.db2.gz YJHPMFGYWLOCHZ-XJKSGUPXSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC000857226742 644859846 /nfs/dbraw/zinc/85/98/46/644859846.db2.gz YJHPMFGYWLOCHZ-XJKSGUPXSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000873216071 649593195 /nfs/dbraw/zinc/59/31/95/649593195.db2.gz OAHNWXYQGZMAOG-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000873216071 649593200 /nfs/dbraw/zinc/59/32/00/649593200.db2.gz OAHNWXYQGZMAOG-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1O ZINC000216020767 652964897 /nfs/dbraw/zinc/96/48/97/652964897.db2.gz MLSJHRBHVAZBOQ-ZJUUUORDSA-N 2 1 254.761 2.215 20 10 CECDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000383389521 803470766 /nfs/dbraw/zinc/47/07/66/803470766.db2.gz JQCUNBMBEBSYKU-ZDUSSCGKSA-N 2 1 254.761 2.216 20 10 CECDMP C[NH+]1CC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233335540 807395997 /nfs/dbraw/zinc/39/59/97/807395997.db2.gz ABAXCFVJIRLAJR-UHFFFAOYSA-N 2 1 282.334 2.198 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000709030707 809941134 /nfs/dbraw/zinc/94/11/34/809941134.db2.gz HHOSRDUJRRCSNS-OAHLLOKOSA-N 2 1 261.413 2.456 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000709030707 809941138 /nfs/dbraw/zinc/94/11/38/809941138.db2.gz HHOSRDUJRRCSNS-OAHLLOKOSA-N 2 1 261.413 2.456 20 10 CECDMP CC[NH+]1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001169261700 811451855 /nfs/dbraw/zinc/45/18/55/811451855.db2.gz MGJAXCHVBPLQMH-UHFFFAOYSA-N 2 1 260.381 2.235 20 10 CECDMP CC[NH+]1CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001169261700 811451858 /nfs/dbraw/zinc/45/18/58/811451858.db2.gz MGJAXCHVBPLQMH-UHFFFAOYSA-N 2 1 260.381 2.235 20 10 CECDMP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206196958 815645592 /nfs/dbraw/zinc/64/55/92/815645592.db2.gz FKFISMVCZSAACV-KBPBESRZSA-N 2 1 266.360 2.216 20 10 CECDMP COc1cc(C[N@H+]2CC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256096 815996617 /nfs/dbraw/zinc/99/66/17/815996617.db2.gz SWCMGOPVJFQUDM-LLVKDONJSA-N 2 1 264.369 2.057 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1F ZINC001139407916 816019942 /nfs/dbraw/zinc/01/99/42/816019942.db2.gz GEOZSBLFXHFHBU-PBHICJAKSA-N 2 1 291.414 2.228 20 10 CECDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140060082 816180591 /nfs/dbraw/zinc/18/05/91/816180591.db2.gz KCDVARUWCOPKPI-OKILXGFUSA-N 2 1 278.371 2.305 20 10 CECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140060082 816180594 /nfs/dbraw/zinc/18/05/94/816180594.db2.gz KCDVARUWCOPKPI-OKILXGFUSA-N 2 1 278.371 2.305 20 10 CECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140060082 816180598 /nfs/dbraw/zinc/18/05/98/816180598.db2.gz KCDVARUWCOPKPI-OKILXGFUSA-N 2 1 278.371 2.305 20 10 CECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140060082 816180602 /nfs/dbraw/zinc/18/06/02/816180602.db2.gz KCDVARUWCOPKPI-OKILXGFUSA-N 2 1 278.371 2.305 20 10 CECDMP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000179733787 368348191 /nfs/dbraw/zinc/34/81/91/368348191.db2.gz MGMQVVOQXHZAIE-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000179733787 368348198 /nfs/dbraw/zinc/34/81/98/368348198.db2.gz MGMQVVOQXHZAIE-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000179733787 368348202 /nfs/dbraw/zinc/34/82/02/368348202.db2.gz MGMQVVOQXHZAIE-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281311236 375371894 /nfs/dbraw/zinc/37/18/94/375371894.db2.gz QOHMOZSIJVXVDZ-UHFFFAOYSA-N 2 1 278.396 2.319 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281311236 375371898 /nfs/dbraw/zinc/37/18/98/375371898.db2.gz QOHMOZSIJVXVDZ-UHFFFAOYSA-N 2 1 278.396 2.319 20 10 CECDMP CN1CCc2cc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000366751921 130092486 /nfs/dbraw/zinc/09/24/86/130092486.db2.gz QFSZVDHRVKIEII-HNNXBMFYSA-N 2 1 296.418 2.228 20 10 CECDMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000218430666 400308583 /nfs/dbraw/zinc/30/85/83/400308583.db2.gz WRNHFEGCICMEFG-HOTGVXAUSA-N 2 1 272.392 2.338 20 10 CECDMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000218430666 400308585 /nfs/dbraw/zinc/30/85/85/400308585.db2.gz WRNHFEGCICMEFG-HOTGVXAUSA-N 2 1 272.392 2.338 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290364726 525339536 /nfs/dbraw/zinc/33/95/36/525339536.db2.gz HBPSFSKQBPYTCX-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290364726 525339543 /nfs/dbraw/zinc/33/95/43/525339543.db2.gz HBPSFSKQBPYTCX-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290364726 525339550 /nfs/dbraw/zinc/33/95/50/525339550.db2.gz HBPSFSKQBPYTCX-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290364726 525339555 /nfs/dbraw/zinc/33/95/55/525339555.db2.gz HBPSFSKQBPYTCX-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868661 628853820 /nfs/dbraw/zinc/85/38/20/628853820.db2.gz SMFTVGVRZVSDKK-DOTOQJQBSA-N 2 1 273.424 2.469 20 10 CECDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC)c1O ZINC000894472016 629480513 /nfs/dbraw/zinc/48/05/13/629480513.db2.gz QAYSRQDIHHFVCO-UHFFFAOYSA-N 2 1 296.411 2.183 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC)c1O ZINC000894472016 629480514 /nfs/dbraw/zinc/48/05/14/629480514.db2.gz QAYSRQDIHHFVCO-UHFFFAOYSA-N 2 1 296.411 2.183 20 10 CECDMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000904333754 635577712 /nfs/dbraw/zinc/57/77/12/635577712.db2.gz FMROHGRFYCBPMA-VNQPRFMTSA-N 2 1 290.407 2.111 20 10 CECDMP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C[NH3+] ZINC000163442191 631586024 /nfs/dbraw/zinc/58/60/24/631586024.db2.gz KGHBBNJMCHHLCD-JQWIXIFHSA-N 2 1 268.788 2.462 20 10 CECDMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1O ZINC000817969762 633811213 /nfs/dbraw/zinc/81/12/13/633811213.db2.gz ZLZQUPNUVPISOF-PWSUYJOCSA-N 2 1 252.333 2.324 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])ccc1N(C)C ZINC000903865215 635314660 /nfs/dbraw/zinc/31/46/60/635314660.db2.gz YSVOYVUZKVVZNQ-WBVHZDCISA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])ccc1N(C)C ZINC000903865215 635314664 /nfs/dbraw/zinc/31/46/64/635314664.db2.gz YSVOYVUZKVVZNQ-WBVHZDCISA-N 2 1 273.424 2.374 20 10 CECDMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000841087862 637582813 /nfs/dbraw/zinc/58/28/13/637582813.db2.gz RBUVSECGWLFREE-HNNXBMFYSA-N 2 1 260.381 2.229 20 10 CECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC)cc1O ZINC000841028374 639621458 /nfs/dbraw/zinc/62/14/58/639621458.db2.gz CJRQXIAWJKNRRW-ZDUSSCGKSA-N 2 1 266.385 2.398 20 10 CECDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876995583 650524081 /nfs/dbraw/zinc/52/40/81/650524081.db2.gz FSXFHWJFKOPUHC-UHFFFAOYSA-N 2 1 292.423 2.291 20 10 CECDMP Oc1c(F)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046148 640250927 /nfs/dbraw/zinc/25/09/27/640250927.db2.gz OLYLJRVQTUJAFW-OAHLLOKOSA-N 2 1 278.371 2.495 20 10 CECDMP Cc1cc(Cl)cc(C[NH+]2CCC([NH3+])CC2)c1O ZINC000843047620 640252107 /nfs/dbraw/zinc/25/21/07/640252107.db2.gz RCUYPRRHASEKOX-UHFFFAOYSA-N 2 1 254.761 2.277 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000843126036 640293239 /nfs/dbraw/zinc/29/32/39/640293239.db2.gz FEZDFWKHXGCKMT-DZGCQCFKSA-N 2 1 260.381 2.193 20 10 CECDMP CCO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C[NH3+] ZINC000844903607 640861252 /nfs/dbraw/zinc/86/12/52/640861252.db2.gz HLUFXQBGCFESJS-TZMCWYRMSA-N 2 1 298.814 2.150 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148696 641637014 /nfs/dbraw/zinc/63/70/14/641637014.db2.gz HMQXFSNGQPIELB-INIZCTEOSA-N 2 1 261.413 2.456 20 10 CECDMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851951562 643239937 /nfs/dbraw/zinc/23/99/37/643239937.db2.gz YUDZSYZVWRDYOU-RHSMWYFYSA-N 2 1 293.455 2.104 20 10 CECDMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851951562 643239945 /nfs/dbraw/zinc/23/99/45/643239945.db2.gz YUDZSYZVWRDYOU-RHSMWYFYSA-N 2 1 293.455 2.104 20 10 CECDMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851951564 643240412 /nfs/dbraw/zinc/24/04/12/643240412.db2.gz YUDZSYZVWRDYOU-YOEHRIQHSA-N 2 1 293.455 2.104 20 10 CECDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851951564 643240413 /nfs/dbraw/zinc/24/04/13/643240413.db2.gz YUDZSYZVWRDYOU-YOEHRIQHSA-N 2 1 293.455 2.104 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923414070 643702121 /nfs/dbraw/zinc/70/21/21/643702121.db2.gz ZPBKKDYMNORIRS-DZGCQCFKSA-N 2 1 261.413 2.088 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000854230315 644019082 /nfs/dbraw/zinc/01/90/82/644019082.db2.gz MQZSUUKVHZRLFR-SMDDNHRTSA-N 2 1 294.395 2.203 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735848 644422674 /nfs/dbraw/zinc/42/26/74/644422674.db2.gz DTEIRLOEXPBPNP-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735848 644422676 /nfs/dbraw/zinc/42/26/76/644422676.db2.gz DTEIRLOEXPBPNP-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735848 644422680 /nfs/dbraw/zinc/42/26/80/644422680.db2.gz DTEIRLOEXPBPNP-CQSZACIVSA-N 2 1 292.423 2.483 20 10 CECDMP COc1cccc(O)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858245733 645098086 /nfs/dbraw/zinc/09/80/86/645098086.db2.gz WQBSPGRZGIIURQ-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000775658700 646976768 /nfs/dbraw/zinc/97/67/68/646976768.db2.gz RGKFLFHAXMSORY-UHFFFAOYSA-N 2 1 273.424 2.280 20 10 CECDMP COc1cc(C)cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000793770996 648796041 /nfs/dbraw/zinc/79/60/41/648796041.db2.gz XRUNLNGLSURWHX-QGZVFWFLSA-N 2 1 290.407 2.237 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000793770996 648796046 /nfs/dbraw/zinc/79/60/46/648796046.db2.gz XRUNLNGLSURWHX-QGZVFWFLSA-N 2 1 290.407 2.237 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000793770996 648796049 /nfs/dbraw/zinc/79/60/49/648796049.db2.gz XRUNLNGLSURWHX-QGZVFWFLSA-N 2 1 290.407 2.237 20 10 CECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725576 649470212 /nfs/dbraw/zinc/47/02/12/649470212.db2.gz UOQUZFBPQWCJPC-WBVHZDCISA-N 2 1 286.419 2.407 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725576 649470215 /nfs/dbraw/zinc/47/02/15/649470215.db2.gz UOQUZFBPQWCJPC-WBVHZDCISA-N 2 1 286.419 2.407 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725576 649470218 /nfs/dbraw/zinc/47/02/18/649470218.db2.gz UOQUZFBPQWCJPC-WBVHZDCISA-N 2 1 286.419 2.407 20 10 CECDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128318759 651410520 /nfs/dbraw/zinc/41/05/20/651410520.db2.gz MMEXEYRPWQUEHA-SNVBAGLBSA-N 2 1 254.761 2.216 20 10 CECDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117786 807706002 /nfs/dbraw/zinc/70/60/02/807706002.db2.gz VMSQJCQPUKRJSR-CQSZACIVSA-N 2 1 277.412 2.074 20 10 CECDMP C[NH+]1CCC2(CC[N@@H+](Cc3c([O-])cccc3F)C2)CC1 ZINC001137838648 809808772 /nfs/dbraw/zinc/80/87/72/809808772.db2.gz FTPRUCIBZAYQRA-UHFFFAOYSA-N 2 1 278.371 2.449 20 10 CECDMP C[NH+]1CCC2(CC[N@H+](Cc3c(O)cccc3F)C2)CC1 ZINC001137838648 809808778 /nfs/dbraw/zinc/80/87/78/809808778.db2.gz FTPRUCIBZAYQRA-UHFFFAOYSA-N 2 1 278.371 2.449 20 10 CECDMP C[NH+]1CCC2(CC[N@@H+](Cc3c(O)cccc3F)C2)CC1 ZINC001137838648 809808783 /nfs/dbraw/zinc/80/87/83/809808783.db2.gz FTPRUCIBZAYQRA-UHFFFAOYSA-N 2 1 278.371 2.449 20 10 CECDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3cccc(O)c3C1)C2 ZINC001169153211 811415312 /nfs/dbraw/zinc/41/53/12/811415312.db2.gz HRMJRAJIJFUFBD-QDMKHBRRSA-N 2 1 272.392 2.376 20 10 CECDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3cccc(O)c3C1)C2 ZINC001169153211 811415319 /nfs/dbraw/zinc/41/53/19/811415319.db2.gz HRMJRAJIJFUFBD-QDMKHBRRSA-N 2 1 272.392 2.376 20 10 CECDMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1O ZINC000397356400 813615189 /nfs/dbraw/zinc/61/51/89/813615189.db2.gz FQSAVTYNGXIMHO-OBJOEFQTSA-N 2 1 278.396 2.206 20 10 CECDMP CCC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139252930 815996648 /nfs/dbraw/zinc/99/66/48/815996648.db2.gz FWANLHTYPIUPRP-UHFFFAOYSA-N 2 1 266.385 2.304 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c1 ZINC000185116354 368750182 /nfs/dbraw/zinc/75/01/82/368750182.db2.gz JCBNWAPXIVIXRZ-AWEZNQCLSA-N 2 1 292.423 2.198 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000185116025 262042125 /nfs/dbraw/zinc/04/21/25/262042125.db2.gz SLFSAJNAACKOHH-AWEZNQCLSA-N 2 1 292.423 2.198 20 10 CECDMP COc1ccc(O)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000037140802 524748568 /nfs/dbraw/zinc/74/85/68/524748568.db2.gz SORWBPUFHHEPHB-UHFFFAOYSA-N 2 1 276.380 2.117 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000040592979 623173548 /nfs/dbraw/zinc/17/35/48/623173548.db2.gz XXKVRSMLPSZEDG-NSHDSACASA-N 2 1 268.788 2.477 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000040592979 623173554 /nfs/dbraw/zinc/17/35/54/623173554.db2.gz XXKVRSMLPSZEDG-NSHDSACASA-N 2 1 268.788 2.477 20 10 CECDMP Cc1ccc(O)c(C[N@H+](C)[C@@H]2CN3CCC2CC3)c1 ZINC000311457459 627666766 /nfs/dbraw/zinc/66/67/66/627666766.db2.gz UVJMOZKHNLFYBZ-OAHLLOKOSA-N 2 1 260.381 2.227 20 10 CECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000817954279 633798584 /nfs/dbraw/zinc/79/85/84/633798584.db2.gz WZHBNZARHRYDIX-GFCCVEGCSA-N 2 1 294.395 2.218 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])ccc1N(C)C ZINC000903865211 635315072 /nfs/dbraw/zinc/31/50/72/635315072.db2.gz YSVOYVUZKVVZNQ-NVXWUHKLSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])ccc1N(C)C ZINC000903865211 635315075 /nfs/dbraw/zinc/31/50/75/635315075.db2.gz YSVOYVUZKVVZNQ-NVXWUHKLSA-N 2 1 273.424 2.374 20 10 CECDMP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535799 639321934 /nfs/dbraw/zinc/32/19/34/639321934.db2.gz SKVOFSQEJFTLLW-OAHLLOKOSA-N 2 1 261.413 2.184 20 10 CECDMP CCN(CC)c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1F ZINC000841029824 639622866 /nfs/dbraw/zinc/62/28/66/639622866.db2.gz BDUAULGDJHPFFF-UHFFFAOYSA-N 2 1 267.392 2.499 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000841100962 639662537 /nfs/dbraw/zinc/66/25/37/639662537.db2.gz QCSLNHKIUDTHJF-QGZVFWFLSA-N 2 1 291.439 2.082 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229102454 639676496 /nfs/dbraw/zinc/67/64/96/639676496.db2.gz ZGSJZDVZIDGTFD-LLVKDONJSA-N 2 1 298.814 2.486 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229102454 639676497 /nfs/dbraw/zinc/67/64/97/639676497.db2.gz ZGSJZDVZIDGTFD-LLVKDONJSA-N 2 1 298.814 2.486 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048310 640252776 /nfs/dbraw/zinc/25/27/76/640252776.db2.gz IPRHULVVUQSORL-JZIMQPMSSA-N 2 1 259.397 2.046 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843052148 640255208 /nfs/dbraw/zinc/25/52/08/640255208.db2.gz HPQDHLSBQXRVHH-CQSZACIVSA-N 2 1 261.413 2.102 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843052488 640256109 /nfs/dbraw/zinc/25/61/09/640256109.db2.gz UPLZZGXAVSBEBT-XJKSGUPXSA-N 2 1 261.413 2.230 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000843115595 640286451 /nfs/dbraw/zinc/28/64/51/640286451.db2.gz HFHGQBLPVIBGRA-HNNXBMFYSA-N 2 1 265.376 2.062 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000843115595 640286453 /nfs/dbraw/zinc/28/64/53/640286453.db2.gz HFHGQBLPVIBGRA-HNNXBMFYSA-N 2 1 265.376 2.062 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000843122382 640291063 /nfs/dbraw/zinc/29/10/63/640291063.db2.gz BVNBLXMASIMKOM-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125600 640292414 /nfs/dbraw/zinc/29/24/14/640292414.db2.gz YMDTWIUXFBFCSA-STQMWFEESA-N 2 1 278.371 2.353 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846139642 641197184 /nfs/dbraw/zinc/19/71/84/641197184.db2.gz PXOLLJLNEJEHHM-CYBMUJFWSA-N 2 1 296.411 2.020 20 10 CECDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179633875 641371792 /nfs/dbraw/zinc/37/17/92/641371792.db2.gz MTTVWNHYJNEVHK-LLVKDONJSA-N 2 1 268.788 2.429 20 10 CECDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179633875 641371798 /nfs/dbraw/zinc/37/17/98/641371798.db2.gz MTTVWNHYJNEVHK-LLVKDONJSA-N 2 1 268.788 2.429 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c(O)c1 ZINC000846699701 641400834 /nfs/dbraw/zinc/40/08/34/641400834.db2.gz VVZUCDTVXGHNJA-YPMHNXCESA-N 2 1 264.369 2.103 20 10 CECDMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921499425 641630630 /nfs/dbraw/zinc/63/06/30/641630630.db2.gz YNYVBNRLYJJYKJ-UHFFFAOYSA-N 2 1 260.381 2.195 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1N(C)C ZINC000923332991 643665555 /nfs/dbraw/zinc/66/55/55/643665555.db2.gz OBYDGNQNGOAEFZ-XHSDSOJGSA-N 2 1 273.424 2.230 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1N(C)C ZINC000923478410 643728869 /nfs/dbraw/zinc/72/88/69/643728869.db2.gz BRXSPIHQPRTXDX-AWEZNQCLSA-N 2 1 261.413 2.232 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000770352407 646381420 /nfs/dbraw/zinc/38/14/20/646381420.db2.gz NLDIEIVAAZUKMW-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000770352407 646381425 /nfs/dbraw/zinc/38/14/25/646381425.db2.gz NLDIEIVAAZUKMW-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000770352407 646381429 /nfs/dbraw/zinc/38/14/29/646381429.db2.gz NLDIEIVAAZUKMW-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1O ZINC000879649597 651335286 /nfs/dbraw/zinc/33/52/86/651335286.db2.gz XBWNKWZCGWPVLS-GFCCVEGCSA-N 2 1 259.353 2.409 20 10 CECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc[nH]1 ZINC000883290201 652424357 /nfs/dbraw/zinc/42/43/57/652424357.db2.gz NWZCPBSUWYIATI-AWEZNQCLSA-N 2 1 299.422 2.012 20 10 CECDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000131512439 652431901 /nfs/dbraw/zinc/43/19/01/652431901.db2.gz VEINKGLCXFLPLA-JOYOIKCWSA-N 2 1 254.761 2.357 20 10 CECDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000131512439 652431903 /nfs/dbraw/zinc/43/19/03/652431903.db2.gz VEINKGLCXFLPLA-JOYOIKCWSA-N 2 1 254.761 2.357 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000723698484 802925547 /nfs/dbraw/zinc/92/55/47/802925547.db2.gz HHQAPVZGYUSNLS-SNVBAGLBSA-N 2 1 284.787 2.225 20 10 CECDMP CCOc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1O ZINC000091844413 803388069 /nfs/dbraw/zinc/38/80/69/803388069.db2.gz VYWIOLPXRIFGHN-UHFFFAOYSA-N 2 1 278.396 2.493 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118181448 814991141 /nfs/dbraw/zinc/99/11/41/814991141.db2.gz WQZDMNMKRBRXRA-UHFFFAOYSA-N 2 1 290.407 2.366 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118242038 814997100 /nfs/dbraw/zinc/99/71/00/814997100.db2.gz VAJAKFOPJPQYOE-INIZCTEOSA-N 2 1 273.424 2.328 20 10 CECDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1C(F)(F)F ZINC000704353288 809730420 /nfs/dbraw/zinc/73/04/20/809730420.db2.gz YFWLSSSFQXNQQY-NWDGAFQWSA-N 2 1 288.313 2.351 20 10 CECDMP C[N@@H+](Cc1c(O)cccc1F)CC1CC[NH+](C)CC1 ZINC001137837857 815692236 /nfs/dbraw/zinc/69/22/36/815692236.db2.gz XISBWHULICMODR-UHFFFAOYSA-N 2 1 266.360 2.305 20 10 CECDMP C[N@H+](Cc1c(O)cccc1F)CC1CC[NH+](C)CC1 ZINC001137837857 815692238 /nfs/dbraw/zinc/69/22/38/815692238.db2.gz XISBWHULICMODR-UHFFFAOYSA-N 2 1 266.360 2.305 20 10 CECDMP COc1cc(C[N@@H+]2C[C@H](F)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253486 815997038 /nfs/dbraw/zinc/99/70/38/815997038.db2.gz VSPCPTGWKYNRAB-BXUZGUMPSA-N 2 1 296.386 2.395 20 10 CECDMP COc1cc(C[N@H+]2C[C@H](F)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253486 815997042 /nfs/dbraw/zinc/99/70/42/815997042.db2.gz VSPCPTGWKYNRAB-BXUZGUMPSA-N 2 1 296.386 2.395 20 10 CECDMP CCOc1cccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206337962 816774918 /nfs/dbraw/zinc/77/49/18/816774918.db2.gz XHZBENQCAXNUGW-INIZCTEOSA-N 2 1 296.386 2.444 20 10 CECDMP CCOc1cccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206337962 816774923 /nfs/dbraw/zinc/77/49/23/816774923.db2.gz XHZBENQCAXNUGW-INIZCTEOSA-N 2 1 296.386 2.444 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206351656 816805101 /nfs/dbraw/zinc/80/51/01/816805101.db2.gz HKHXULCKZCTCCJ-OAHLLOKOSA-N 2 1 266.360 2.354 20 10 CECDMP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000156094553 366826969 /nfs/dbraw/zinc/82/69/69/366826969.db2.gz ZRYRIZJAVFJRRV-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000156094553 366826977 /nfs/dbraw/zinc/82/69/77/366826977.db2.gz ZRYRIZJAVFJRRV-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000156094553 366826982 /nfs/dbraw/zinc/82/69/82/366826982.db2.gz ZRYRIZJAVFJRRV-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280367 368376313 /nfs/dbraw/zinc/37/63/13/368376313.db2.gz SGRJFCSVXHKMJN-WFASDCNBSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280367 368376318 /nfs/dbraw/zinc/37/63/18/368376318.db2.gz SGRJFCSVXHKMJN-WFASDCNBSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000180280367 368376329 /nfs/dbraw/zinc/37/63/29/368376329.db2.gz SGRJFCSVXHKMJN-WFASDCNBSA-N 2 1 278.371 2.447 20 10 CECDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC000292791783 377284703 /nfs/dbraw/zinc/28/47/03/377284703.db2.gz MNLFQDMETFZCNK-OAHLLOKOSA-N 2 1 264.344 2.059 20 10 CECDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC000292791783 377284711 /nfs/dbraw/zinc/28/47/11/377284711.db2.gz MNLFQDMETFZCNK-OAHLLOKOSA-N 2 1 264.344 2.059 20 10 CECDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000292791783 377284717 /nfs/dbraw/zinc/28/47/17/377284717.db2.gz MNLFQDMETFZCNK-OAHLLOKOSA-N 2 1 264.344 2.059 20 10 CECDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000292791783 377284719 /nfs/dbraw/zinc/28/47/19/377284719.db2.gz MNLFQDMETFZCNK-OAHLLOKOSA-N 2 1 264.344 2.059 20 10 CECDMP Oc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180188251 261845146 /nfs/dbraw/zinc/84/51/46/261845146.db2.gz VELZQZICLDWULU-CYBMUJFWSA-N 2 1 278.371 2.449 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180188251 261845147 /nfs/dbraw/zinc/84/51/47/261845147.db2.gz VELZQZICLDWULU-CYBMUJFWSA-N 2 1 278.371 2.449 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292183463 522181164 /nfs/dbraw/zinc/18/11/64/522181164.db2.gz QSURATSTPZPEII-QGZVFWFLSA-N 2 1 273.424 2.280 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292183463 522181173 /nfs/dbraw/zinc/18/11/73/522181173.db2.gz QSURATSTPZPEII-QGZVFWFLSA-N 2 1 273.424 2.280 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292183463 522181179 /nfs/dbraw/zinc/18/11/79/522181179.db2.gz QSURATSTPZPEII-QGZVFWFLSA-N 2 1 273.424 2.280 20 10 CECDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC000300417084 622876971 /nfs/dbraw/zinc/87/69/71/622876971.db2.gz KHRRLUPFSIWSQB-ZLKJLUDKSA-N 2 1 264.344 2.091 20 10 CECDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000040623480 623748165 /nfs/dbraw/zinc/74/81/65/623748165.db2.gz UJNZWKABOGAJAU-HNNXBMFYSA-N 2 1 274.408 2.441 20 10 CECDMP N[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1ccccc1 ZINC000312374247 628249869 /nfs/dbraw/zinc/24/98/69/628249869.db2.gz ITMVLICYTCFLGX-JKSUJKDBSA-N 2 1 268.360 2.319 20 10 CECDMP [NH3+][C@@H]1CN(Cc2ccccc2O)C[C@H]1c1ccccc1 ZINC000312374247 628249870 /nfs/dbraw/zinc/24/98/70/628249870.db2.gz ITMVLICYTCFLGX-JKSUJKDBSA-N 2 1 268.360 2.319 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000893953330 629063621 /nfs/dbraw/zinc/06/36/21/629063621.db2.gz RXWIWZVNVWEHFD-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP COc1cc(C)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1O ZINC000893953330 629063624 /nfs/dbraw/zinc/06/36/24/629063624.db2.gz RXWIWZVNVWEHFD-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP COc1cc(C)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000893953330 629063629 /nfs/dbraw/zinc/06/36/29/629063629.db2.gz RXWIWZVNVWEHFD-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CF)C3)cc2)CC1 ZINC000895571956 630252971 /nfs/dbraw/zinc/25/29/71/630252971.db2.gz CQGYZFIJYQFGRZ-MRXNPFEDSA-N 2 1 291.414 2.230 20 10 CECDMP CCN(CC)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1F ZINC000841028217 631810910 /nfs/dbraw/zinc/81/09/10/631810910.db2.gz MGKLDRVVINASFY-HNNXBMFYSA-N 2 1 279.403 2.499 20 10 CECDMP C[NH2+]CCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000841042123 632308650 /nfs/dbraw/zinc/30/86/50/632308650.db2.gz LEGZLJHVCYZEGP-UHFFFAOYSA-N 2 1 287.201 2.162 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2c1c(F)ccc2O ZINC000817953225 633797726 /nfs/dbraw/zinc/79/77/26/633797726.db2.gz XQFBLEHEQPXQHG-CKYFFXLPSA-N 2 1 264.344 2.421 20 10 CECDMP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)c2c1c(F)ccc2O ZINC000817961315 633803558 /nfs/dbraw/zinc/80/35/58/633803558.db2.gz XCSPGXHTZJNTHN-JFUSQASVSA-N 2 1 264.344 2.407 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000817984128 633826910 /nfs/dbraw/zinc/82/69/10/633826910.db2.gz NQIRRRJKZGPKPT-RYUDHWBXSA-N 2 1 264.369 2.194 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000903960093 635369264 /nfs/dbraw/zinc/36/92/64/635369264.db2.gz WWFHJNQWXZLENW-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP Cc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000876596727 650353236 /nfs/dbraw/zinc/35/32/36/650353236.db2.gz JXXYFAGEBSVUOB-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(O)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000876596727 650353241 /nfs/dbraw/zinc/35/32/41/650353241.db2.gz JXXYFAGEBSVUOB-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(O)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876596727 650353244 /nfs/dbraw/zinc/35/32/44/650353244.db2.gz JXXYFAGEBSVUOB-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CCOCc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC ZINC000841028821 639621768 /nfs/dbraw/zinc/62/17/68/639621768.db2.gz ICYBSSVMDQSNFP-HNNXBMFYSA-N 2 1 280.412 2.305 20 10 CECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841029806 639623083 /nfs/dbraw/zinc/62/30/83/639623083.db2.gz SKZDWKZEOCDTGF-CYBMUJFWSA-N 2 1 267.392 2.499 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000841101727 639659856 /nfs/dbraw/zinc/65/98/56/639659856.db2.gz ZTCAASKJNFIRJK-XHDPSFHLSA-N 2 1 262.397 2.426 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843047099 640250803 /nfs/dbraw/zinc/25/08/03/640250803.db2.gz NZJAGEWSGFJNDN-CQSZACIVSA-N 2 1 261.413 2.232 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843052153 640254551 /nfs/dbraw/zinc/25/45/51/640254551.db2.gz IKSRMJXLEZDEBJ-NSHDSACASA-N 2 1 268.788 2.395 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843052153 640254554 /nfs/dbraw/zinc/25/45/54/640254554.db2.gz IKSRMJXLEZDEBJ-NSHDSACASA-N 2 1 268.788 2.395 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843051478 640255286 /nfs/dbraw/zinc/25/52/86/640255286.db2.gz JEGYIHUOXRWQDR-STQMWFEESA-N 2 1 278.396 2.350 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000843053624 640255876 /nfs/dbraw/zinc/25/58/76/640255876.db2.gz OXNQUOXCSBFAHT-WFASDCNBSA-N 2 1 278.396 2.350 20 10 CECDMP CC(C)([NH3+])C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843117150 640287004 /nfs/dbraw/zinc/28/70/04/640287004.db2.gz VTLYBLOFIAXKSS-CQSZACIVSA-N 2 1 278.396 2.111 20 10 CECDMP CC(C)([NH3+])C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843117150 640287008 /nfs/dbraw/zinc/28/70/08/640287008.db2.gz VTLYBLOFIAXKSS-CQSZACIVSA-N 2 1 278.396 2.111 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125017 640290325 /nfs/dbraw/zinc/29/03/25/640290325.db2.gz LGTUWIRICLHYBS-KGLIPLIRSA-N 2 1 290.407 2.222 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843123474 640291038 /nfs/dbraw/zinc/29/10/38/640291038.db2.gz JZSWGZIGMXROMT-QGZVFWFLSA-N 2 1 273.424 2.328 20 10 CECDMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000846147746 641201555 /nfs/dbraw/zinc/20/15/55/641201555.db2.gz VIPDQCYIWSDLIL-OLZOCXBDSA-N 2 1 278.396 2.393 20 10 CECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000253202412 641620563 /nfs/dbraw/zinc/62/05/63/641620563.db2.gz YVVYBSYCBBGLND-UKRRQHHQSA-N 2 1 261.413 2.169 20 10 CECDMP CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745669 643530506 /nfs/dbraw/zinc/53/05/06/643530506.db2.gz ZNTFGXNVLDPJES-HNNXBMFYSA-N 2 1 290.407 2.125 20 10 CECDMP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877742882 650887382 /nfs/dbraw/zinc/88/73/82/650887382.db2.gz GWAAMDLFVFAYKH-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877742882 650887385 /nfs/dbraw/zinc/88/73/85/650887385.db2.gz GWAAMDLFVFAYKH-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877742882 650887389 /nfs/dbraw/zinc/88/73/89/650887389.db2.gz GWAAMDLFVFAYKH-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229409 649600361 /nfs/dbraw/zinc/60/03/61/649600361.db2.gz XILMARRPSWDJRM-IMBPEULASA-N 2 1 285.435 2.307 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229409 649600363 /nfs/dbraw/zinc/60/03/63/649600363.db2.gz XILMARRPSWDJRM-IMBPEULASA-N 2 1 285.435 2.307 20 10 CECDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000311233215 803669448 /nfs/dbraw/zinc/66/94/48/803669448.db2.gz RVTLJUAHQLTIQJ-LLVKDONJSA-N 2 1 252.333 2.092 20 10 CECDMP CCc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)c1O ZINC000691522264 812000057 /nfs/dbraw/zinc/00/00/57/812000057.db2.gz KQIINOPJPQNQIO-ZDUSSCGKSA-N 2 1 262.397 2.386 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000394395637 813391134 /nfs/dbraw/zinc/39/11/34/813391134.db2.gz BLWRHVDMHPZEHX-OAHLLOKOSA-N 2 1 296.798 2.240 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000394395637 813391142 /nfs/dbraw/zinc/39/11/42/813391142.db2.gz BLWRHVDMHPZEHX-OAHLLOKOSA-N 2 1 296.798 2.240 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290626961 344684282 /nfs/dbraw/zinc/68/42/82/344684282.db2.gz XOWGWACDBOMLPG-DOMZBBRYSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290626961 344684284 /nfs/dbraw/zinc/68/42/84/344684284.db2.gz XOWGWACDBOMLPG-DOMZBBRYSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290626961 344684285 /nfs/dbraw/zinc/68/42/85/344684285.db2.gz XOWGWACDBOMLPG-DOMZBBRYSA-N 2 1 278.396 2.173 20 10 CECDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1O ZINC000183506390 395257850 /nfs/dbraw/zinc/25/78/50/395257850.db2.gz ZCZQCRCPATTXBT-HUUCEWRRSA-N 2 1 292.423 2.280 20 10 CECDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252672933 334384896 /nfs/dbraw/zinc/38/48/96/334384896.db2.gz FFWANYUIQZTHRI-GJZGRUSLSA-N 2 1 260.381 2.417 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292802300 521149266 /nfs/dbraw/zinc/14/92/66/521149266.db2.gz NSKDGNRXRTZUKA-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292802300 521149271 /nfs/dbraw/zinc/14/92/71/521149271.db2.gz NSKDGNRXRTZUKA-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292802300 521149282 /nfs/dbraw/zinc/14/92/82/521149282.db2.gz NSKDGNRXRTZUKA-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CC[N@H+]1C ZINC000157680586 524927863 /nfs/dbraw/zinc/92/78/63/524927863.db2.gz ADBLIDFOSXVYOJ-XJKSGUPXSA-N 2 1 273.424 2.251 20 10 CECDMP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290466441 525917802 /nfs/dbraw/zinc/91/78/02/525917802.db2.gz NGVPPFVBGGCZOK-TZMCWYRMSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290466441 525917809 /nfs/dbraw/zinc/91/78/09/525917809.db2.gz NGVPPFVBGGCZOK-TZMCWYRMSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000290466441 525917821 /nfs/dbraw/zinc/91/78/21/525917821.db2.gz NGVPPFVBGGCZOK-TZMCWYRMSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000290466441 525917828 /nfs/dbraw/zinc/91/78/28/525917828.db2.gz NGVPPFVBGGCZOK-TZMCWYRMSA-N 2 1 278.396 2.173 20 10 CECDMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817945956 633792573 /nfs/dbraw/zinc/79/25/73/633792573.db2.gz OHYFCOLFXNSAQK-QWRGUYRKSA-N 2 1 252.333 2.182 20 10 CECDMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1O ZINC000817971900 633815448 /nfs/dbraw/zinc/81/54/48/633815448.db2.gz QZHGFDAELJUULV-FOGDFJRCSA-N 2 1 252.333 2.322 20 10 CECDMP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCC[NH2+]1 ZINC000817974472 633818740 /nfs/dbraw/zinc/81/87/40/633818740.db2.gz MMWJLMHATRSFCC-YOEHRIQHSA-N 2 1 292.423 2.428 20 10 CECDMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1O ZINC000817981273 633825067 /nfs/dbraw/zinc/82/50/67/633825067.db2.gz IIAJVUFNKRPNBL-JBLDHEPKSA-N 2 1 252.333 2.309 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410564 635616939 /nfs/dbraw/zinc/61/69/39/635616939.db2.gz OQWIUXGPQADDIN-GJZGRUSLSA-N 2 1 275.440 2.478 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cccc2O)C1 ZINC000876783279 650430576 /nfs/dbraw/zinc/43/05/76/650430576.db2.gz YOJXJJUDTJFKQM-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876783279 650430579 /nfs/dbraw/zinc/43/05/79/650430579.db2.gz YOJXJJUDTJFKQM-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876783279 650430582 /nfs/dbraw/zinc/43/05/82/650430582.db2.gz YOJXJJUDTJFKQM-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841038973 639628926 /nfs/dbraw/zinc/62/89/26/639628926.db2.gz WABZMRZDIVHIBH-UHFFFAOYSA-N 2 1 290.436 2.119 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229103406 639676570 /nfs/dbraw/zinc/67/65/70/639676570.db2.gz MOVCQBHVPPTCPR-JTQLQIEISA-N 2 1 284.787 2.096 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229103406 639676574 /nfs/dbraw/zinc/67/65/74/639676574.db2.gz MOVCQBHVPPTCPR-JTQLQIEISA-N 2 1 284.787 2.096 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000229102573 639676651 /nfs/dbraw/zinc/67/66/51/639676651.db2.gz WJPHNEJAADUVHS-SNVBAGLBSA-N 2 1 284.787 2.225 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000229102573 639676653 /nfs/dbraw/zinc/67/66/53/639676653.db2.gz WJPHNEJAADUVHS-SNVBAGLBSA-N 2 1 284.787 2.225 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843052087 640255329 /nfs/dbraw/zinc/25/53/29/640255329.db2.gz FZMTYAKJEBDMOK-AWFCHZOYSA-N 2 1 273.424 2.307 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843057359 640260097 /nfs/dbraw/zinc/26/00/97/640260097.db2.gz JFMDCUYRDWUUIP-WIJLQKJISA-N 2 1 273.424 2.435 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC000843114477 640285050 /nfs/dbraw/zinc/28/50/50/640285050.db2.gz CPMZHYZIOHHNHH-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843125917 640292196 /nfs/dbraw/zinc/29/21/96/640292196.db2.gz CLJWJPXDSSWJEJ-WBVHZDCISA-N 2 1 273.424 2.245 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843343358 640396466 /nfs/dbraw/zinc/39/64/66/640396466.db2.gz ZRUSKTCOEFZNSU-LBPRGKRZSA-N 2 1 294.395 2.349 20 10 CECDMP COc1cccc(O)c1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000845995735 641147361 /nfs/dbraw/zinc/14/73/61/641147361.db2.gz GEDFXJIBCRXPNN-UHFFFAOYSA-N 2 1 280.412 2.468 20 10 CECDMP COc1cccc(O)c1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000845995735 641147371 /nfs/dbraw/zinc/14/73/71/641147371.db2.gz GEDFXJIBCRXPNN-UHFFFAOYSA-N 2 1 280.412 2.468 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846139643 641197864 /nfs/dbraw/zinc/19/78/64/641197864.db2.gz PXOLLJLNEJEHHM-ZDUSSCGKSA-N 2 1 296.411 2.020 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148649 641635040 /nfs/dbraw/zinc/63/50/40/641635040.db2.gz QYNAFVNGDSFMBN-CYBMUJFWSA-N 2 1 264.369 2.104 20 10 CECDMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000921631131 642288766 /nfs/dbraw/zinc/28/87/66/642288766.db2.gz JABLLWQJVVFVAD-OAHLLOKOSA-N 2 1 283.375 2.313 20 10 CECDMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000854226650 644016249 /nfs/dbraw/zinc/01/62/49/644016249.db2.gz JOOFCZGMFLXSNX-FUJMWEONSA-N 2 1 259.397 2.155 20 10 CECDMP Cc1cc(C)c([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(O)c1 ZINC000854228296 644017842 /nfs/dbraw/zinc/01/78/42/644017842.db2.gz UNQVEHNQUCELTH-FUJMWEONSA-N 2 1 260.381 2.412 20 10 CECDMP CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226153 644858342 /nfs/dbraw/zinc/85/83/42/644858342.db2.gz GARGZGROZNAPFC-CJNGLKHVSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226153 644858350 /nfs/dbraw/zinc/85/83/50/644858350.db2.gz GARGZGROZNAPFC-CJNGLKHVSA-N 2 1 276.380 2.104 20 10 CECDMP CN(C)c1cc(F)c(C[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000858195786 645086649 /nfs/dbraw/zinc/08/66/49/645086649.db2.gz CLMUHGLSZYGZRZ-UHFFFAOYSA-N 2 1 294.349 2.097 20 10 CECDMP COc1cccc(O)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000768545754 646137853 /nfs/dbraw/zinc/13/78/53/646137853.db2.gz CQBCBSYZAFGBQX-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000768545754 646137859 /nfs/dbraw/zinc/13/78/59/646137859.db2.gz CQBCBSYZAFGBQX-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(O)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000768545754 646137863 /nfs/dbraw/zinc/13/78/63/646137863.db2.gz CQBCBSYZAFGBQX-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(O)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000768545754 646137866 /nfs/dbraw/zinc/13/78/66/646137866.db2.gz CQBCBSYZAFGBQX-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775660551 646977626 /nfs/dbraw/zinc/97/76/26/646977626.db2.gz GERRWVSCOFDNMK-HNNXBMFYSA-N 2 1 273.424 2.280 20 10 CECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122381493 648333049 /nfs/dbraw/zinc/33/30/49/648333049.db2.gz RCVWGVLGYSHSSQ-ZBFHGGJFSA-N 2 1 261.413 2.312 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1O)C2 ZINC001172101608 815281269 /nfs/dbraw/zinc/28/12/69/815281269.db2.gz GAIMXRSNNPSKAB-QKDCVEJESA-N 2 1 260.381 2.497 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC001118241672 810132871 /nfs/dbraw/zinc/13/28/71/810132871.db2.gz KBEZQXQIVTVVFD-PBHICJAKSA-N 2 1 273.424 2.456 20 10 CECDMP C[NH+]1CCC2(C[NH+](Cc3c(O)cccc3F)C2)CC1 ZINC001137840312 815694787 /nfs/dbraw/zinc/69/47/87/815694787.db2.gz XBMQPKSPFRKZOG-UHFFFAOYSA-N 2 1 264.344 2.059 20 10 CECDMP C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139407721 816019110 /nfs/dbraw/zinc/01/91/10/816019110.db2.gz BPAMGEWQYGOVGX-ZBFHGGJFSA-N 2 1 291.414 2.371 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2O)C1 ZINC000093770482 394668762 /nfs/dbraw/zinc/66/87/62/394668762.db2.gz WLWWXOUENSWJEQ-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093770482 394668766 /nfs/dbraw/zinc/66/87/66/394668766.db2.gz WLWWXOUENSWJEQ-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000093770482 394668771 /nfs/dbraw/zinc/66/87/71/394668771.db2.gz WLWWXOUENSWJEQ-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000246005286 334227429 /nfs/dbraw/zinc/22/74/29/334227429.db2.gz SGRJFCSVXHKMJN-IUODEOHRSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000246005286 334227431 /nfs/dbraw/zinc/22/74/31/334227431.db2.gz SGRJFCSVXHKMJN-IUODEOHRSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000246005286 334227432 /nfs/dbraw/zinc/22/74/32/334227432.db2.gz SGRJFCSVXHKMJN-IUODEOHRSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000738227715 574855064 /nfs/dbraw/zinc/85/50/64/574855064.db2.gz OMPATSILXQTHCA-CYBMUJFWSA-N 2 1 285.391 2.324 20 10 CECDMP CCC[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000743869827 575111711 /nfs/dbraw/zinc/11/17/11/575111711.db2.gz BRROQKFUYWNFOL-MRXNPFEDSA-N 2 1 292.423 2.061 20 10 CECDMP CCC[N@H+](Cc1ccccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000743869827 575111712 /nfs/dbraw/zinc/11/17/12/575111712.db2.gz BRROQKFUYWNFOL-MRXNPFEDSA-N 2 1 292.423 2.061 20 10 CECDMP COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000894254025 629263449 /nfs/dbraw/zinc/26/34/49/629263449.db2.gz LBKKIWMTYVEZME-ZDUSSCGKSA-N 2 1 278.396 2.141 20 10 CECDMP Cc1cc(O)c(C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000809729936 632133104 /nfs/dbraw/zinc/13/31/04/632133104.db2.gz TUVYAAVECDOLDY-UHFFFAOYSA-N 2 1 250.386 2.393 20 10 CECDMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817982288 633824214 /nfs/dbraw/zinc/82/42/14/633824214.db2.gz QXLHDEFFUUCOAF-DLBZAZTESA-N 2 1 291.439 2.172 20 10 CECDMP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1O ZINC000817981275 633824484 /nfs/dbraw/zinc/82/44/84/633824484.db2.gz IIAJVUFNKRPNBL-UMNHJUIQSA-N 2 1 252.333 2.309 20 10 CECDMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C[NH3+] ZINC000904410452 635617203 /nfs/dbraw/zinc/61/72/03/635617203.db2.gz DPPPMWRYUCEPPE-WDEREUQCSA-N 2 1 268.788 2.462 20 10 CECDMP CCOCc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC ZINC000841027500 639620170 /nfs/dbraw/zinc/62/01/70/639620170.db2.gz CKJWPYAOIXKFOT-HNNXBMFYSA-N 2 1 278.396 2.059 20 10 CECDMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000841028988 639621053 /nfs/dbraw/zinc/62/10/53/639621053.db2.gz DCDGIVANLNZUNY-MFKMUULPSA-N 2 1 252.333 2.138 20 10 CECDMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(O)c1 ZINC000841086687 639652409 /nfs/dbraw/zinc/65/24/09/639652409.db2.gz CUFSXZBOWUONCP-AWEZNQCLSA-N 2 1 266.385 2.254 20 10 CECDMP COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000063191909 639838116 /nfs/dbraw/zinc/83/81/16/639838116.db2.gz PIVXBQGBGUSJLX-FZMZJTMJSA-N 2 1 264.369 2.103 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000063191909 639838121 /nfs/dbraw/zinc/83/81/21/639838121.db2.gz PIVXBQGBGUSJLX-FZMZJTMJSA-N 2 1 264.369 2.103 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000843046665 640250728 /nfs/dbraw/zinc/25/07/28/640250728.db2.gz YNLFHCBGSVTFNF-UHFFFAOYSA-N 2 1 261.413 2.245 20 10 CECDMP Cc1cc(Br)cc(C[N@@H+](C)CCC[NH3+])c1O ZINC000843050426 640253477 /nfs/dbraw/zinc/25/34/77/640253477.db2.gz HGYPTQIIYFWKMU-UHFFFAOYSA-N 2 1 287.201 2.244 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843052147 640254275 /nfs/dbraw/zinc/25/42/75/640254275.db2.gz HPQDHLSBQXRVHH-AWEZNQCLSA-N 2 1 261.413 2.102 20 10 CECDMP CC[NH2+]CC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843055872 640258441 /nfs/dbraw/zinc/25/84/41/640258441.db2.gz RDJZABQSCVOTPY-UHFFFAOYSA-N 2 1 266.360 2.353 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843057381 640260321 /nfs/dbraw/zinc/26/03/21/640260321.db2.gz JSRZCHFPANMWJY-UKRRQHHQSA-N 2 1 261.413 2.230 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843124845 640290429 /nfs/dbraw/zinc/29/04/29/640290429.db2.gz JCJJIAVCWCKWFX-UONOGXRCSA-N 2 1 290.407 2.222 20 10 CECDMP Cc1cc(Br)cc(C[N@H+](C)C2CC([NH3+])C2)c1O ZINC000843125263 640291653 /nfs/dbraw/zinc/29/16/53/640291653.db2.gz QEBBCNFBGFKJGO-UHFFFAOYSA-N 2 1 299.212 2.385 20 10 CECDMP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000843129407 640295558 /nfs/dbraw/zinc/29/55/58/640295558.db2.gz TWVCBAOOWGSQRP-OAHLLOKOSA-N 2 1 276.380 2.165 20 10 CECDMP Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250091084 640454960 /nfs/dbraw/zinc/45/49/60/640454960.db2.gz VMKYLIBMLAUUEM-DZGCQCFKSA-N 2 1 260.381 2.356 20 10 CECDMP Cc1cccc(O)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000877477674 650739887 /nfs/dbraw/zinc/73/98/87/650739887.db2.gz HHYWXFZOFWDFGU-OAHLLOKOSA-N 2 1 292.423 2.291 20 10 CECDMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851951563 643240220 /nfs/dbraw/zinc/24/02/20/643240220.db2.gz YUDZSYZVWRDYOU-WMLDXEAASA-N 2 1 293.455 2.104 20 10 CECDMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851951563 643240225 /nfs/dbraw/zinc/24/02/25/643240225.db2.gz YUDZSYZVWRDYOU-WMLDXEAASA-N 2 1 293.455 2.104 20 10 CECDMP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854216630 644013582 /nfs/dbraw/zinc/01/35/82/644013582.db2.gz BNZPQFYZGXGJFZ-CKEIUWERSA-N 2 1 289.423 2.004 20 10 CECDMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(O)c1 ZINC000877744387 650891225 /nfs/dbraw/zinc/89/12/25/650891225.db2.gz SIKAAYUPYBLJBJ-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(O)c1 ZINC000877744387 650891228 /nfs/dbraw/zinc/89/12/28/650891228.db2.gz SIKAAYUPYBLJBJ-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877744387 650891229 /nfs/dbraw/zinc/89/12/29/650891229.db2.gz SIKAAYUPYBLJBJ-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877744387 650891232 /nfs/dbraw/zinc/89/12/32/650891232.db2.gz SIKAAYUPYBLJBJ-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857226262 644858303 /nfs/dbraw/zinc/85/83/03/644858303.db2.gz JKNSISBCRXUEKZ-NVXWUHKLSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857226262 644858311 /nfs/dbraw/zinc/85/83/11/644858311.db2.gz JKNSISBCRXUEKZ-NVXWUHKLSA-N 2 1 273.424 2.374 20 10 CECDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000126802008 650957149 /nfs/dbraw/zinc/95/71/49/650957149.db2.gz SNLQXCVZMLVHCW-UWVGGRQHSA-N 2 1 254.761 2.215 20 10 CECDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000779025976 647283306 /nfs/dbraw/zinc/28/33/06/647283306.db2.gz RTTNGQCBZIXMPC-INIZCTEOSA-N 2 1 292.423 2.325 20 10 CECDMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)cc1C ZINC000793763651 648794555 /nfs/dbraw/zinc/79/45/55/648794555.db2.gz DYWDUURGCHGKEM-QGZVFWFLSA-N 2 1 290.407 2.237 20 10 CECDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)cc1C ZINC000793763651 648794561 /nfs/dbraw/zinc/79/45/61/648794561.db2.gz DYWDUURGCHGKEM-QGZVFWFLSA-N 2 1 290.407 2.237 20 10 CECDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)cc1C ZINC000793763651 648794568 /nfs/dbraw/zinc/79/45/68/648794568.db2.gz DYWDUURGCHGKEM-QGZVFWFLSA-N 2 1 290.407 2.237 20 10 CECDMP C[NH+]1CCC(C[N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001207399909 803498133 /nfs/dbraw/zinc/49/81/33/803498133.db2.gz YWLSJBLZXRYSKK-UHFFFAOYSA-N 2 1 290.407 2.188 20 10 CECDMP [NH3+]C[C@@H](NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC001117954018 814968879 /nfs/dbraw/zinc/96/88/79/814968879.db2.gz XFGFHURYQAPGJF-MRXNPFEDSA-N 2 1 259.397 2.114 20 10 CECDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001117954018 814968883 /nfs/dbraw/zinc/96/88/83/814968883.db2.gz XFGFHURYQAPGJF-MRXNPFEDSA-N 2 1 259.397 2.114 20 10 CECDMP Cc1ccc(O)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001140624348 816308073 /nfs/dbraw/zinc/30/80/73/816308073.db2.gz SDMJMXXCGCXPSB-UHFFFAOYSA-N 2 1 260.381 2.371 20 10 CECDMP Cc1c(O)ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1O ZINC001140745225 816340653 /nfs/dbraw/zinc/34/06/53/816340653.db2.gz APKHCRAAAKACOX-UHFFFAOYSA-N 2 1 278.396 2.180 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037644660 361918531 /nfs/dbraw/zinc/91/85/31/361918531.db2.gz PQEWTYIRLBBURD-AWEZNQCLSA-N 2 1 260.381 2.053 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000179637655 368347080 /nfs/dbraw/zinc/34/70/80/368347080.db2.gz BPWKLDSTVDRWNR-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290645721 524735311 /nfs/dbraw/zinc/73/53/11/524735311.db2.gz YVLPSXXIEILCCG-UHFFFAOYSA-N 2 1 289.379 2.428 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290645721 524735325 /nfs/dbraw/zinc/73/53/25/524735325.db2.gz YVLPSXXIEILCCG-UHFFFAOYSA-N 2 1 289.379 2.428 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277442602 525937774 /nfs/dbraw/zinc/93/77/74/525937774.db2.gz KECHOUQDZGDQPD-CQSZACIVSA-N 2 1 278.396 2.317 20 10 CECDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000843127194 631749069 /nfs/dbraw/zinc/74/90/69/631749069.db2.gz BKVZKINRLGGXRK-HNNXBMFYSA-N 2 1 260.381 2.465 20 10 CECDMP COc1cc(C)cc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1O ZINC000897620261 631831777 /nfs/dbraw/zinc/83/17/77/631831777.db2.gz JXBLSPIJWHKXAL-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C)cc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1O ZINC000897620261 631831783 /nfs/dbraw/zinc/83/17/83/631831783.db2.gz JXBLSPIJWHKXAL-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C)cc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1O ZINC000897620261 631831789 /nfs/dbraw/zinc/83/17/89/631831789.db2.gz JXBLSPIJWHKXAL-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C)cc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1O ZINC000897620261 631831797 /nfs/dbraw/zinc/83/17/97/631831797.db2.gz JXBLSPIJWHKXAL-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cccc(O)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809704638 632130460 /nfs/dbraw/zinc/13/04/60/632130460.db2.gz DMWNTAXJIHGJPL-PBWFPOADSA-N 2 1 290.407 2.458 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809704638 632130462 /nfs/dbraw/zinc/13/04/62/632130462.db2.gz DMWNTAXJIHGJPL-PBWFPOADSA-N 2 1 290.407 2.458 20 10 CECDMP COc1cccc(O)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809704638 632130464 /nfs/dbraw/zinc/13/04/64/632130464.db2.gz DMWNTAXJIHGJPL-PBWFPOADSA-N 2 1 290.407 2.458 20 10 CECDMP COc1cccc(O)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809704638 632130468 /nfs/dbraw/zinc/13/04/68/632130468.db2.gz DMWNTAXJIHGJPL-PBWFPOADSA-N 2 1 290.407 2.458 20 10 CECDMP COCC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CC[NH2+]CC1 ZINC000817973946 633817632 /nfs/dbraw/zinc/81/76/32/633817632.db2.gz HRRGDWIIIREHIF-GFCCVEGCSA-N 2 1 296.386 2.198 20 10 CECDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000817983240 633826077 /nfs/dbraw/zinc/82/60/77/633826077.db2.gz ZXXDMVRYXLITLC-YOEHRIQHSA-N 2 1 291.439 2.172 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000904411581 635619482 /nfs/dbraw/zinc/61/94/82/635619482.db2.gz NTAQGLFGESHSMC-KGLIPLIRSA-N 2 1 262.397 2.426 20 10 CECDMP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000227376193 639588104 /nfs/dbraw/zinc/58/81/04/639588104.db2.gz VWYUFMJQRUEVLT-GXTWGEPZSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000227376193 639588106 /nfs/dbraw/zinc/58/81/06/639588106.db2.gz VWYUFMJQRUEVLT-GXTWGEPZSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1O ZINC000841087453 639651841 /nfs/dbraw/zinc/65/18/41/639651841.db2.gz NTVUBFZQSVWUJB-AWEZNQCLSA-N 2 1 278.396 2.398 20 10 CECDMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c(O)c1 ZINC000841085650 639651850 /nfs/dbraw/zinc/65/18/50/639651850.db2.gz AESWGWDTYQIXCF-OAHLLOKOSA-N 2 1 278.396 2.398 20 10 CECDMP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1O ZINC000063191262 639837070 /nfs/dbraw/zinc/83/70/70/639837070.db2.gz XHYLCCOROGYTHP-AAEUAGOBSA-N 2 1 264.369 2.103 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1O ZINC000063191262 639837081 /nfs/dbraw/zinc/83/70/81/639837081.db2.gz XHYLCCOROGYTHP-AAEUAGOBSA-N 2 1 264.369 2.103 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000843044649 640250283 /nfs/dbraw/zinc/25/02/83/640250283.db2.gz DOROVGJFKBZZIP-DOMZBBRYSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000843044649 640250289 /nfs/dbraw/zinc/25/02/89/640250289.db2.gz DOROVGJFKBZZIP-DOMZBBRYSA-N 2 1 278.396 2.493 20 10 CECDMP C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1CC[NH3+] ZINC000844902560 640859884 /nfs/dbraw/zinc/85/98/84/640859884.db2.gz QPALCNXJJMNRJU-YPMHNXCESA-N 2 1 292.379 2.070 20 10 CECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000844901449 640860489 /nfs/dbraw/zinc/86/04/89/640860489.db2.gz FMAFIBLZPQYUFG-INMHGKMJSA-N 2 1 290.407 2.111 20 10 CECDMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC000877546023 650779852 /nfs/dbraw/zinc/77/98/52/650779852.db2.gz NWUGCUSUEFTRPR-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000877546023 650779853 /nfs/dbraw/zinc/77/98/53/650779853.db2.gz NWUGCUSUEFTRPR-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000877546023 650779854 /nfs/dbraw/zinc/77/98/54/650779854.db2.gz NWUGCUSUEFTRPR-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000877636212 650826495 /nfs/dbraw/zinc/82/64/95/650826495.db2.gz QGMWIBPERBQZAH-OAHLLOKOSA-N 2 1 290.407 2.044 20 10 CECDMP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1N(C)C ZINC000923381444 643688062 /nfs/dbraw/zinc/68/80/62/643688062.db2.gz NDOPEFKTTXIGAL-UHFFFAOYSA-N 2 1 273.424 2.389 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923392227 643691671 /nfs/dbraw/zinc/69/16/71/643691671.db2.gz ITRCPSYPQKBMEU-ZFWWWQNUSA-N 2 1 261.413 2.373 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1N(C)C ZINC000923423364 643704225 /nfs/dbraw/zinc/70/42/25/643704225.db2.gz BSBQSBYBNSSPKE-DOTOQJQBSA-N 2 1 273.424 2.102 20 10 CECDMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877739426 650881288 /nfs/dbraw/zinc/88/12/88/650881288.db2.gz FUCZOVXXBGYEJP-GDBMZVCRSA-N 2 1 274.408 2.481 20 10 CECDMP CCc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877739426 650881291 /nfs/dbraw/zinc/88/12/91/650881291.db2.gz FUCZOVXXBGYEJP-GDBMZVCRSA-N 2 1 274.408 2.481 20 10 CECDMP CCc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000877739426 650881294 /nfs/dbraw/zinc/88/12/94/650881294.db2.gz FUCZOVXXBGYEJP-GDBMZVCRSA-N 2 1 274.408 2.481 20 10 CECDMP Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(O)c1C ZINC000854225993 644016357 /nfs/dbraw/zinc/01/63/57/644016357.db2.gz CGTVDYZDDBUMHO-VEAWUBTESA-N 2 1 260.381 2.412 20 10 CECDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cccc2OC)C1 ZINC000769516326 646280706 /nfs/dbraw/zinc/28/07/06/646280706.db2.gz SHVTWIQYFVHMOM-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cccc2OC)C1 ZINC000769516326 646280710 /nfs/dbraw/zinc/28/07/10/646280710.db2.gz SHVTWIQYFVHMOM-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769516326 646280715 /nfs/dbraw/zinc/28/07/15/646280715.db2.gz SHVTWIQYFVHMOM-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769516326 646280718 /nfs/dbraw/zinc/28/07/18/646280718.db2.gz SHVTWIQYFVHMOM-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000723674928 802922900 /nfs/dbraw/zinc/92/29/00/802922900.db2.gz LGCKQZPHCNRCAR-JTQLQIEISA-N 2 1 254.761 2.216 20 10 CECDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000723674923 802923147 /nfs/dbraw/zinc/92/31/47/802923147.db2.gz KPXSAFVHPVPJRI-SNVBAGLBSA-N 2 1 299.212 2.325 20 10 CECDMP [NH3+]C[C@H](NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC001117954017 814968536 /nfs/dbraw/zinc/96/85/36/814968536.db2.gz XFGFHURYQAPGJF-INIZCTEOSA-N 2 1 259.397 2.114 20 10 CECDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001117954017 814968541 /nfs/dbraw/zinc/96/85/41/814968541.db2.gz XFGFHURYQAPGJF-INIZCTEOSA-N 2 1 259.397 2.114 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996434 814978684 /nfs/dbraw/zinc/97/86/84/814978684.db2.gz CNODLFNIZNNMRS-DLBZAZTESA-N 2 1 273.424 2.469 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996434 814978687 /nfs/dbraw/zinc/97/86/87/814978687.db2.gz CNODLFNIZNNMRS-DLBZAZTESA-N 2 1 273.424 2.469 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205116736 807702299 /nfs/dbraw/zinc/70/22/99/807702299.db2.gz HKRVYGRLIJHGIK-LBPRGKRZSA-N 2 1 284.787 2.367 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205116736 807702300 /nfs/dbraw/zinc/70/23/00/807702300.db2.gz HKRVYGRLIJHGIK-LBPRGKRZSA-N 2 1 284.787 2.367 20 10 CECDMP CC[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708558481 809945563 /nfs/dbraw/zinc/94/55/63/809945563.db2.gz GQTFJFQRSJOUKJ-UHFFFAOYSA-N 2 1 284.350 2.492 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000923503700 810105817 /nfs/dbraw/zinc/10/58/17/810105817.db2.gz LDNFUURRVMDTAZ-PWSUYJOCSA-N 2 1 294.370 2.151 20 10 CECDMP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381332407 810328688 /nfs/dbraw/zinc/32/86/88/810328688.db2.gz BTZNKBSPVGNBTI-GXFFZTMASA-N 2 1 266.772 2.229 20 10 CECDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381332407 810328694 /nfs/dbraw/zinc/32/86/94/810328694.db2.gz BTZNKBSPVGNBTI-GXFFZTMASA-N 2 1 266.772 2.229 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641206 813376191 /nfs/dbraw/zinc/37/61/91/813376191.db2.gz CNODLFNIZNNMRS-SJORKVTESA-N 2 1 273.424 2.469 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641206 813376200 /nfs/dbraw/zinc/37/62/00/813376200.db2.gz CNODLFNIZNNMRS-SJORKVTESA-N 2 1 273.424 2.469 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180188268 368370938 /nfs/dbraw/zinc/37/09/38/368370938.db2.gz VELZQZICLDWULU-ZDUSSCGKSA-N 2 1 278.371 2.449 20 10 CECDMP COc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1O ZINC000263658675 371944465 /nfs/dbraw/zinc/94/44/65/371944465.db2.gz GUPIGNCTUAOUFL-UHFFFAOYSA-N 2 1 275.352 2.086 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1N(C)C ZINC000293212267 377472662 /nfs/dbraw/zinc/47/26/62/377472662.db2.gz UZPIAAGBUIIVCM-MRXNPFEDSA-N 2 1 275.440 2.445 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000217915208 394456081 /nfs/dbraw/zinc/45/60/81/394456081.db2.gz CGXRPGNODYLISG-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000217915208 394456084 /nfs/dbraw/zinc/45/60/84/394456084.db2.gz CGXRPGNODYLISG-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000217915208 394456088 /nfs/dbraw/zinc/45/60/88/394456088.db2.gz CGXRPGNODYLISG-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000124702727 394840428 /nfs/dbraw/zinc/84/04/28/394840428.db2.gz QKAZUCIAMNGAQA-ZDUSSCGKSA-N 2 1 260.381 2.275 20 10 CECDMP Oc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000226584539 263199295 /nfs/dbraw/zinc/19/92/95/263199295.db2.gz XKPKCSLBUWOYIG-LLVKDONJSA-N 2 1 264.344 2.105 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000037644008 521710504 /nfs/dbraw/zinc/71/05/04/521710504.db2.gz XEGHISNCAZAXPC-STQMWFEESA-N 2 1 278.396 2.393 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CC[N@H+]1C ZINC000157680721 525266746 /nfs/dbraw/zinc/26/67/46/525266746.db2.gz ADBLIDFOSXVYOJ-CJNGLKHVSA-N 2 1 273.424 2.251 20 10 CECDMP Cc1ccc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277826151 525348213 /nfs/dbraw/zinc/34/82/13/525348213.db2.gz LIRYZKZZQSDRAF-HNNXBMFYSA-N 2 1 292.423 2.291 20 10 CECDMP COc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000725845541 625742782 /nfs/dbraw/zinc/74/27/82/625742782.db2.gz CRPLCPVOTZMWTN-STQMWFEESA-N 2 1 276.380 2.117 20 10 CECDMP COc1cccc(O)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000725845541 625742787 /nfs/dbraw/zinc/74/27/87/625742787.db2.gz CRPLCPVOTZMWTN-STQMWFEESA-N 2 1 276.380 2.117 20 10 CECDMP COc1cc(C)cc(C[N@H+](C)CCC[NH+](C)C)c1O ZINC000894761912 629629969 /nfs/dbraw/zinc/62/99/69/629629969.db2.gz AREQIGJLJYUCIG-UHFFFAOYSA-N 2 1 266.385 2.093 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000894761912 629629975 /nfs/dbraw/zinc/62/99/75/629629975.db2.gz AREQIGJLJYUCIG-UHFFFAOYSA-N 2 1 266.385 2.093 20 10 CECDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904354377 635586679 /nfs/dbraw/zinc/58/66/79/635586679.db2.gz WSAQFOWDHHGATQ-OAHLLOKOSA-N 2 1 262.397 2.475 20 10 CECDMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000044535077 639321676 /nfs/dbraw/zinc/32/16/76/639321676.db2.gz XYAMJRBZWKBCHG-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(OC)c1O ZINC000841028329 639621126 /nfs/dbraw/zinc/62/11/26/639621126.db2.gz BEKBTBWBRYTSBB-GFCCVEGCSA-N 2 1 252.358 2.008 20 10 CECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841029009 639621622 /nfs/dbraw/zinc/62/16/22/639621622.db2.gz LEITZRIPJBSUHV-MRXNPFEDSA-N 2 1 291.439 2.130 20 10 CECDMP CC(C)[C@H]([NH3+])C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841031469 639623484 /nfs/dbraw/zinc/62/34/84/639623484.db2.gz SIGFLESETLRCBR-SQRWCISFSA-N 2 1 261.413 2.339 20 10 CECDMP CCN(CC)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000841085598 639650364 /nfs/dbraw/zinc/65/03/64/639650364.db2.gz IEJHEUVOUPQPHV-QGZVFWFLSA-N 2 1 291.439 2.001 20 10 CECDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC000843059284 640261797 /nfs/dbraw/zinc/26/17/97/640261797.db2.gz JBZZVXGKYFFZAD-ZKYQVNSYSA-N 2 1 264.344 2.091 20 10 CECDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC000843059284 640261802 /nfs/dbraw/zinc/26/18/02/640261802.db2.gz JBZZVXGKYFFZAD-ZKYQVNSYSA-N 2 1 264.344 2.091 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000843060221 640262619 /nfs/dbraw/zinc/26/26/19/640262619.db2.gz YEJMOBGIXJVJQV-RCBQFDQVSA-N 2 1 290.407 2.350 20 10 CECDMP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843112330 640285084 /nfs/dbraw/zinc/28/50/84/640285084.db2.gz HJIFGNDESSSBKE-LLVKDONJSA-N 2 1 252.333 2.092 20 10 CECDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843112330 640285088 /nfs/dbraw/zinc/28/50/88/640285088.db2.gz HJIFGNDESSSBKE-LLVKDONJSA-N 2 1 252.333 2.092 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843115034 640285925 /nfs/dbraw/zinc/28/59/25/640285925.db2.gz FYUBIBCCUKIVCT-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2O)C1 ZINC000844909977 640863122 /nfs/dbraw/zinc/86/31/22/640863122.db2.gz FWWXHOBGLXYQRJ-VYDXJSESSA-N 2 1 290.407 2.253 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000846703813 641403198 /nfs/dbraw/zinc/40/31/98/641403198.db2.gz QLINSTAQXHMYMC-DZGCQCFKSA-N 2 1 261.413 2.373 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252870857 641591966 /nfs/dbraw/zinc/59/19/66/641591966.db2.gz SPCVDHPUDCHZKK-QEJZJMRPSA-N 2 1 260.381 2.260 20 10 CECDMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923281604 643637485 /nfs/dbraw/zinc/63/74/85/643637485.db2.gz QEBBIOFLTTWMGO-OAHLLOKOSA-N 2 1 261.413 2.232 20 10 CECDMP Cc1cccc(O)c1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743056 650889456 /nfs/dbraw/zinc/88/94/56/650889456.db2.gz TUDPNUHVEJONRF-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743056 650889466 /nfs/dbraw/zinc/88/94/66/650889466.db2.gz TUDPNUHVEJONRF-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743056 650889468 /nfs/dbraw/zinc/88/94/68/650889468.db2.gz TUDPNUHVEJONRF-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857226263 644858858 /nfs/dbraw/zinc/85/88/58/644858858.db2.gz JKNSISBCRXUEKZ-RDJZCZTQSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857226263 644858859 /nfs/dbraw/zinc/85/88/59/644858859.db2.gz JKNSISBCRXUEKZ-RDJZCZTQSA-N 2 1 273.424 2.374 20 10 CECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775652053 646976195 /nfs/dbraw/zinc/97/61/95/646976195.db2.gz FLCDZWKOYSFROE-UHFFFAOYSA-N 2 1 259.397 2.033 20 10 CECDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748885 648793062 /nfs/dbraw/zinc/79/30/62/648793062.db2.gz VGJAOYRQLLBXCI-GOSISDBHSA-N 2 1 297.402 2.468 20 10 CECDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748885 648793066 /nfs/dbraw/zinc/79/30/66/648793066.db2.gz VGJAOYRQLLBXCI-GOSISDBHSA-N 2 1 297.402 2.468 20 10 CECDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748885 648793068 /nfs/dbraw/zinc/79/30/68/648793068.db2.gz VGJAOYRQLLBXCI-GOSISDBHSA-N 2 1 297.402 2.468 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000873216069 649593503 /nfs/dbraw/zinc/59/35/03/649593503.db2.gz OAHNWXYQGZMAOG-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000873216069 649593506 /nfs/dbraw/zinc/59/35/06/649593506.db2.gz OAHNWXYQGZMAOG-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)C[C@H]1C[NH3+] ZINC000708853955 803570334 /nfs/dbraw/zinc/57/03/34/803570334.db2.gz VKQMKVQEBIYRJI-XJKSGUPXSA-N 2 1 273.424 2.096 20 10 CECDMP COc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1O ZINC001118242722 814997666 /nfs/dbraw/zinc/99/76/66/814997666.db2.gz IGYDJFKPQQAIFW-UHFFFAOYSA-N 2 1 290.407 2.366 20 10 CECDMP COc1ccc2ccc(O)c(C[N@@H+]3CCC[NH2+]CC3)c2c1 ZINC001204675440 804536056 /nfs/dbraw/zinc/53/60/56/804536056.db2.gz NBSHKQRQJNYSFR-UHFFFAOYSA-N 2 1 286.375 2.349 20 10 CECDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[NH2+]CC3)c2c1 ZINC001204675440 804536060 /nfs/dbraw/zinc/53/60/60/804536060.db2.gz NBSHKQRQJNYSFR-UHFFFAOYSA-N 2 1 286.375 2.349 20 10 CECDMP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1O ZINC000700819772 809357469 /nfs/dbraw/zinc/35/74/69/809357469.db2.gz TXGKXKKPEVKBNO-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP CCc1cccc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1O ZINC000702452433 809558939 /nfs/dbraw/zinc/55/89/39/809558939.db2.gz NIXHFTQLROFJNK-DOTOQJQBSA-N 2 1 274.408 2.338 20 10 CECDMP CCc1cccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1O ZINC000702452433 809558946 /nfs/dbraw/zinc/55/89/46/809558946.db2.gz NIXHFTQLROFJNK-DOTOQJQBSA-N 2 1 274.408 2.338 20 10 CECDMP CCc1cccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1O ZINC000702452433 809558953 /nfs/dbraw/zinc/55/89/53/809558953.db2.gz NIXHFTQLROFJNK-DOTOQJQBSA-N 2 1 274.408 2.338 20 10 CECDMP CCc1cccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1O ZINC000702452433 809558957 /nfs/dbraw/zinc/55/89/57/809558957.db2.gz NIXHFTQLROFJNK-DOTOQJQBSA-N 2 1 274.408 2.338 20 10 CECDMP CCc1cccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1O ZINC000702452433 809558965 /nfs/dbraw/zinc/55/89/65/809558965.db2.gz NIXHFTQLROFJNK-DOTOQJQBSA-N 2 1 274.408 2.338 20 10 CECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1C(F)(F)F ZINC000704353285 809730534 /nfs/dbraw/zinc/73/05/34/809730534.db2.gz YFWLSSSFQXNQQY-NEPJUHHUSA-N 2 1 288.313 2.351 20 10 CECDMP CCc1cccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)c1O ZINC000691522260 812000101 /nfs/dbraw/zinc/00/01/01/812000101.db2.gz KQIINOPJPQNQIO-CYBMUJFWSA-N 2 1 262.397 2.386 20 10 CECDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001254501320 812415308 /nfs/dbraw/zinc/41/53/08/812415308.db2.gz SQAHRILOIYLEDQ-OAHLLOKOSA-N 2 1 260.381 2.195 20 10 CECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+] ZINC000397304694 813611964 /nfs/dbraw/zinc/61/19/64/813611964.db2.gz GHDXMDMMJZUQEV-WZRBSPASSA-N 2 1 266.360 2.337 20 10 CECDMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206196979 815645543 /nfs/dbraw/zinc/64/55/43/815645543.db2.gz FKFISMVCZSAACV-ZIAGYGMSSA-N 2 1 266.360 2.216 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206201235 815740947 /nfs/dbraw/zinc/74/09/47/815740947.db2.gz WLIBFGDWOWVUDX-ZIAGYGMSSA-N 2 1 282.359 2.052 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC001139411118 816020105 /nfs/dbraw/zinc/02/01/05/816020105.db2.gz VXVSAAMWXZAJBE-AEFFLSMTSA-N 2 1 285.435 2.423 20 10 CECDMP Cc1c(O)ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1O ZINC001206312081 816662810 /nfs/dbraw/zinc/66/28/10/816662810.db2.gz ZIVZMSXFCYWQHP-MRXNPFEDSA-N 2 1 278.396 2.357 20 10 CECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000069753979 343791012 /nfs/dbraw/zinc/79/10/12/343791012.db2.gz DYXJNHPYPSCOAC-UHFFFAOYSA-N 2 1 272.396 2.437 20 10 CECDMP CCOc1ccc(O)c(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000263733659 521151841 /nfs/dbraw/zinc/15/18/41/521151841.db2.gz YNMWQVRYHVXHKT-UHFFFAOYSA-N 2 1 289.379 2.476 20 10 CECDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(F)ccc2O)C1 ZINC000290649392 523991778 /nfs/dbraw/zinc/99/17/78/523991778.db2.gz YZNPDKXCKXZZIA-WFASDCNBSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(F)ccc2O)C1 ZINC000290649392 523991779 /nfs/dbraw/zinc/99/17/79/523991779.db2.gz YZNPDKXCKXZZIA-WFASDCNBSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(F)ccc2O)C1 ZINC000290649392 523991784 /nfs/dbraw/zinc/99/17/84/523991784.db2.gz YZNPDKXCKXZZIA-WFASDCNBSA-N 2 1 278.371 2.447 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290641802 525941128 /nfs/dbraw/zinc/94/11/28/525941128.db2.gz YMXYPIUKZUZQMM-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000290641802 525941131 /nfs/dbraw/zinc/94/11/31/525941131.db2.gz YMXYPIUKZUZQMM-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000290641802 525941132 /nfs/dbraw/zinc/94/11/32/525941132.db2.gz YMXYPIUKZUZQMM-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000090720999 623543705 /nfs/dbraw/zinc/54/37/05/623543705.db2.gz PCOSUZSMJNLATG-ZFWWWQNUSA-N 2 1 261.413 2.325 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000313873244 627827419 /nfs/dbraw/zinc/82/74/19/627827419.db2.gz MACXEONSHSFILF-YOEHRIQHSA-N 2 1 290.407 2.352 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000312890807 628555633 /nfs/dbraw/zinc/55/56/33/628555633.db2.gz WRKJCUKUTUENPU-IYBDPMFKSA-N 2 1 273.424 2.184 20 10 CECDMP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519211 634712203 /nfs/dbraw/zinc/71/22/03/634712203.db2.gz XYWGMOCLUSVOQX-ZQIUZPCESA-N 2 1 292.471 2.071 20 10 CECDMP COc1cc(C)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000894172295 629188175 /nfs/dbraw/zinc/18/81/75/629188175.db2.gz HHWNKSTWTUPOGA-CYBMUJFWSA-N 2 1 290.407 2.283 20 10 CECDMP COc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000894254024 629263772 /nfs/dbraw/zinc/26/37/72/629263772.db2.gz LBKKIWMTYVEZME-CYBMUJFWSA-N 2 1 278.396 2.141 20 10 CECDMP C[C@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CCC[NH2+]C1 ZINC000841032710 631820603 /nfs/dbraw/zinc/82/06/03/631820603.db2.gz FNZLQYLFLNTKFS-QWRGUYRKSA-N 2 1 252.333 2.009 20 10 CECDMP COc1cccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1O ZINC000898309059 632167223 /nfs/dbraw/zinc/16/72/23/632167223.db2.gz JMOOPEYGJCMMHS-UHFFFAOYSA-N 2 1 280.412 2.420 20 10 CECDMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1O ZINC000898310649 632167251 /nfs/dbraw/zinc/16/72/51/632167251.db2.gz ZCKBPRKVEOKVBY-UHFFFAOYSA-N 2 1 250.386 2.412 20 10 CECDMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1O ZINC000817981274 633824903 /nfs/dbraw/zinc/82/49/03/633824903.db2.gz IIAJVUFNKRPNBL-NHCYSSNCSA-N 2 1 252.333 2.309 20 10 CECDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817981696 633825364 /nfs/dbraw/zinc/82/53/64/633825364.db2.gz MSAISSXMQUJVDJ-JQWIXIFHSA-N 2 1 284.787 2.075 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000824650787 635469672 /nfs/dbraw/zinc/46/96/72/635469672.db2.gz QTSFIMPWFYBDND-GOSISDBHSA-N 2 1 285.435 2.423 20 10 CECDMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(O)c1 ZINC000876597165 650352667 /nfs/dbraw/zinc/35/26/67/650352667.db2.gz LYIHNLIJBVYPBH-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000876597165 650352671 /nfs/dbraw/zinc/35/26/71/650352671.db2.gz LYIHNLIJBVYPBH-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000876597165 650352674 /nfs/dbraw/zinc/35/26/74/650352674.db2.gz LYIHNLIJBVYPBH-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(OCC)ccc1O ZINC000841030233 639622646 /nfs/dbraw/zinc/62/26/46/639622646.db2.gz VCDZCCZEUKIAEU-ZDUSSCGKSA-N 2 1 266.385 2.398 20 10 CECDMP CCOCc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC ZINC000841050095 639633499 /nfs/dbraw/zinc/63/34/99/639633499.db2.gz OQTBWLFWGXCCRC-HNNXBMFYSA-N 2 1 278.396 2.059 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000841100813 639656353 /nfs/dbraw/zinc/65/63/53/639656353.db2.gz KPQKJDHVXKXCBT-TZMCWYRMSA-N 2 1 278.396 2.208 20 10 CECDMP C[N@@H+](Cc1cc(Cl)ccc1O)C1CC[NH2+]CC1 ZINC000843045066 640249290 /nfs/dbraw/zinc/24/92/90/640249290.db2.gz HHMOFGWVLLWKNF-UHFFFAOYSA-N 2 1 254.761 2.229 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843044040 640249559 /nfs/dbraw/zinc/24/95/59/640249559.db2.gz ARXMFNYZVWCLFR-AWEZNQCLSA-N 2 1 279.403 2.323 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843044040 640249562 /nfs/dbraw/zinc/24/95/62/640249562.db2.gz ARXMFNYZVWCLFR-AWEZNQCLSA-N 2 1 279.403 2.323 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000843046416 640250692 /nfs/dbraw/zinc/25/06/92/640250692.db2.gz VFZILBKEXKSXLO-SNAWJCMRSA-N 2 1 273.424 2.450 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843051476 640255031 /nfs/dbraw/zinc/25/50/31/640255031.db2.gz JEGYIHUOXRWQDR-OLZOCXBDSA-N 2 1 278.396 2.350 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055644 640258994 /nfs/dbraw/zinc/25/89/94/640258994.db2.gz JQLYLLWASPKBAM-UHFFFAOYSA-N 2 1 264.369 2.103 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1F ZINC000843117327 640287147 /nfs/dbraw/zinc/28/71/47/640287147.db2.gz OOHGVTYDVKCJJO-QGZVFWFLSA-N 2 1 291.414 2.467 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1F ZINC000843117327 640287150 /nfs/dbraw/zinc/28/71/50/640287150.db2.gz OOHGVTYDVKCJJO-QGZVFWFLSA-N 2 1 291.414 2.467 20 10 CECDMP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843118264 640288258 /nfs/dbraw/zinc/28/82/58/640288258.db2.gz GGJDDCMBAGXEGM-INIZCTEOSA-N 2 1 260.381 2.276 20 10 CECDMP Oc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125659 640291679 /nfs/dbraw/zinc/29/16/79/640291679.db2.gz DKCKMAGILXTXJS-KBPBESRZSA-N 2 1 260.381 2.214 20 10 CECDMP Oc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125660 640292331 /nfs/dbraw/zinc/29/23/31/640292331.db2.gz DKCKMAGILXTXJS-KGLIPLIRSA-N 2 1 260.381 2.214 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000843126633 640293091 /nfs/dbraw/zinc/29/30/91/640293091.db2.gz MGHRSPXBOFKERQ-GASCZTMLSA-N 2 1 291.414 2.323 20 10 CECDMP COc1cccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1O ZINC000846165072 641209121 /nfs/dbraw/zinc/20/91/21/641209121.db2.gz RZPVVSGPNXLEPW-LLVKDONJSA-N 2 1 275.352 2.028 20 10 CECDMP Oc1ccccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930845 642200294 /nfs/dbraw/zinc/20/02/94/642200294.db2.gz XQWGJSMDGUXGFG-INIZCTEOSA-N 2 1 290.407 2.079 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1N(C)C ZINC000923331447 643661168 /nfs/dbraw/zinc/66/11/68/643661168.db2.gz MBXWYTNUCWKCGS-HIFRSBDPSA-N 2 1 261.413 2.230 20 10 CECDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000923493814 643737449 /nfs/dbraw/zinc/73/74/49/643737449.db2.gz VYSCOHVESPECLZ-LLVKDONJSA-N 2 1 296.798 2.419 20 10 CECDMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000872251468 649328835 /nfs/dbraw/zinc/32/88/35/649328835.db2.gz JHWHRVZIVVHOQC-LBPRGKRZSA-N 2 1 266.360 2.399 20 10 CECDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(O)cc1C ZINC000872723232 649469463 /nfs/dbraw/zinc/46/94/63/649469463.db2.gz KCLPHBZQTGZKDN-DZGCQCFKSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(O)cc1C ZINC000872723232 649469465 /nfs/dbraw/zinc/46/94/65/649469465.db2.gz KCLPHBZQTGZKDN-DZGCQCFKSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(O)cc1C ZINC000872723232 649469467 /nfs/dbraw/zinc/46/94/67/649469467.db2.gz KCLPHBZQTGZKDN-DZGCQCFKSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(O)cc1C ZINC000872723232 649469469 /nfs/dbraw/zinc/46/94/69/649469469.db2.gz KCLPHBZQTGZKDN-DZGCQCFKSA-N 2 1 290.407 2.235 20 10 CECDMP C[N@H+]1CC[C@H]2C[NH+](Cc3c(O)ccc4ccncc43)CC[C@@H]21 ZINC000872726683 649469967 /nfs/dbraw/zinc/46/99/67/649469967.db2.gz UIFRBMPCNYGTBR-YOEHRIQHSA-N 2 1 297.402 2.466 20 10 CECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CC[C@@H]21 ZINC000872726683 649469969 /nfs/dbraw/zinc/46/99/69/649469969.db2.gz UIFRBMPCNYGTBR-YOEHRIQHSA-N 2 1 297.402 2.466 20 10 CECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)CC[C@@H]21 ZINC000872726683 649469971 /nfs/dbraw/zinc/46/99/71/649469971.db2.gz UIFRBMPCNYGTBR-YOEHRIQHSA-N 2 1 297.402 2.466 20 10 CECDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000703557029 809663183 /nfs/dbraw/zinc/66/31/83/809663183.db2.gz AHLYCXBZGKVNEH-SMDDNHRTSA-N 2 1 266.772 2.087 20 10 CECDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000703557029 809663187 /nfs/dbraw/zinc/66/31/87/809663187.db2.gz AHLYCXBZGKVNEH-SMDDNHRTSA-N 2 1 266.772 2.087 20 10 CECDMP C[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206026830 811834392 /nfs/dbraw/zinc/83/43/92/811834392.db2.gz UCCYUGVTZYMXPT-GHMZBOCLSA-N 2 1 284.350 2.477 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206026830 811834404 /nfs/dbraw/zinc/83/44/04/811834404.db2.gz UCCYUGVTZYMXPT-GHMZBOCLSA-N 2 1 284.350 2.477 20 10 CECDMP CC(C)(C)c1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206723936 815786526 /nfs/dbraw/zinc/78/65/26/815786526.db2.gz XPKWGISLBMWACS-UHFFFAOYSA-N 2 1 262.397 2.470 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1N(C)C ZINC001139673818 816078546 /nfs/dbraw/zinc/07/85/46/816078546.db2.gz KVYOSQZWRNOQTI-SJLPKXTDSA-N 2 1 287.451 2.445 20 10 CECDMP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1N(C)C ZINC001139673818 816078553 /nfs/dbraw/zinc/07/85/53/816078553.db2.gz KVYOSQZWRNOQTI-SJLPKXTDSA-N 2 1 287.451 2.445 20 10 CECDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(O)ccc3O)C2)CC1 ZINC001141160977 816492117 /nfs/dbraw/zinc/49/21/17/816492117.db2.gz LLBBGKHCKKEAET-UHFFFAOYSA-N 2 1 276.380 2.016 20 10 CECDMP Oc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371463716 373891014 /nfs/dbraw/zinc/89/10/14/373891014.db2.gz KOTGZCZHAUGPED-OAGGEKHMSA-N 2 1 272.392 2.308 20 10 CECDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371463716 373891021 /nfs/dbraw/zinc/89/10/21/373891021.db2.gz KOTGZCZHAUGPED-OAGGEKHMSA-N 2 1 272.392 2.308 20 10 CECDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371463716 373891029 /nfs/dbraw/zinc/89/10/29/373891029.db2.gz KOTGZCZHAUGPED-OAGGEKHMSA-N 2 1 272.392 2.308 20 10 CECDMP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000296253540 285396862 /nfs/dbraw/zinc/39/68/62/285396862.db2.gz BJYHTYLRPFJZGU-JSGCOSHPSA-N 2 1 283.375 2.428 20 10 CECDMP COc1ccc(O)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000182462051 395242662 /nfs/dbraw/zinc/24/26/62/395242662.db2.gz FETFQIMQDZGUJY-GFCCVEGCSA-N 2 1 289.379 2.332 20 10 CECDMP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000252666923 334384650 /nfs/dbraw/zinc/38/46/50/334384650.db2.gz CUVLSCBCTBJFPJ-KBPBESRZSA-N 2 1 276.380 2.117 20 10 CECDMP CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408223 522207756 /nfs/dbraw/zinc/20/77/56/522207756.db2.gz SLPSOCJEXKAUMG-OAHLLOKOSA-N 2 1 273.424 2.327 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290641809 525942415 /nfs/dbraw/zinc/94/24/15/525942415.db2.gz YMXYPIUKZUZQMM-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000290641809 525942427 /nfs/dbraw/zinc/94/24/27/525942427.db2.gz YMXYPIUKZUZQMM-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000290641809 525942434 /nfs/dbraw/zinc/94/24/34/525942434.db2.gz YMXYPIUKZUZQMM-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420808 635633248 /nfs/dbraw/zinc/63/32/48/635633248.db2.gz GVSKWGXICCOYAW-CMPLNLGQSA-N 2 1 266.772 2.087 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843123846 631736964 /nfs/dbraw/zinc/73/69/64/631736964.db2.gz QIGYUXPLKLUOLV-MRXNPFEDSA-N 2 1 260.381 2.276 20 10 CECDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980726 633823176 /nfs/dbraw/zinc/82/31/76/633823176.db2.gz WQAGZPJWMHTIJS-OCCSQVGLSA-N 2 1 295.402 2.050 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903959434 635369459 /nfs/dbraw/zinc/36/94/59/635369459.db2.gz HYIHXOTYYICKGO-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087473 637568259 /nfs/dbraw/zinc/56/82/59/637568259.db2.gz OECNJXWKJWMIEP-ZFWWWQNUSA-N 2 1 290.407 2.365 20 10 CECDMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000044535079 639321698 /nfs/dbraw/zinc/32/16/98/639321698.db2.gz XYAMJRBZWKBCHG-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876940374 650497094 /nfs/dbraw/zinc/49/70/94/650497094.db2.gz SFBCEJXPTXVOBU-CABCVRRESA-N 2 1 260.381 2.417 20 10 CECDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876940376 650497185 /nfs/dbraw/zinc/49/71/85/650497185.db2.gz SFBCEJXPTXVOBU-HUUCEWRRSA-N 2 1 260.381 2.417 20 10 CECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C)cccc1O ZINC000876945779 650499519 /nfs/dbraw/zinc/49/95/19/650499519.db2.gz BYUVXZNUUKEKKW-UHFFFAOYSA-N 2 1 259.353 2.385 20 10 CECDMP CCCN(CCC)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000841094395 639655599 /nfs/dbraw/zinc/65/55/99/639655599.db2.gz XORHPTSTPMOFNE-KRWDZBQOSA-N 2 1 293.455 2.064 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048311 640252021 /nfs/dbraw/zinc/25/20/21/640252021.db2.gz IPRHULVVUQSORL-NHZBNJEXSA-N 2 1 259.397 2.046 20 10 CECDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000843048229 640252154 /nfs/dbraw/zinc/25/21/54/640252154.db2.gz CQAIBTYFTDGGGK-JTQLQIEISA-N 2 1 254.761 2.135 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843052090 640254862 /nfs/dbraw/zinc/25/48/62/640254862.db2.gz FZMTYAKJEBDMOK-DWTRPJMMSA-N 2 1 273.424 2.307 20 10 CECDMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127238 640294780 /nfs/dbraw/zinc/29/47/80/640294780.db2.gz CXDJUDCJLKJPJZ-CQSZACIVSA-N 2 1 276.380 2.165 20 10 CECDMP COc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000843129405 640295258 /nfs/dbraw/zinc/29/52/58/640295258.db2.gz TWVCBAOOWGSQRP-HNNXBMFYSA-N 2 1 276.380 2.165 20 10 CECDMP C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1CC[NH3+] ZINC000844902558 640859938 /nfs/dbraw/zinc/85/99/38/640859938.db2.gz QPALCNXJJMNRJU-DGCLKSJQSA-N 2 1 292.379 2.070 20 10 CECDMP COc1cccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1O ZINC000846165074 641209659 /nfs/dbraw/zinc/20/96/59/641209659.db2.gz RZPVVSGPNXLEPW-NSHDSACASA-N 2 1 275.352 2.028 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000846844929 641450715 /nfs/dbraw/zinc/45/07/15/641450715.db2.gz RNYLJNHFIGKLOS-LBPRGKRZSA-N 2 1 289.379 2.418 20 10 CECDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000877636211 650826575 /nfs/dbraw/zinc/82/65/75/650826575.db2.gz QGMWIBPERBQZAH-HNNXBMFYSA-N 2 1 290.407 2.044 20 10 CECDMP Cc1cc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)ccc1N(C)C ZINC000923357508 643676172 /nfs/dbraw/zinc/67/61/72/643676172.db2.gz PAMYRTSMWVCKDI-INIZCTEOSA-N 2 1 261.413 2.230 20 10 CECDMP Cc1cc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)ccc1N(C)C ZINC000923357508 643676176 /nfs/dbraw/zinc/67/61/76/643676176.db2.gz PAMYRTSMWVCKDI-INIZCTEOSA-N 2 1 261.413 2.230 20 10 CECDMP Cc1cccc(O)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743052 650888971 /nfs/dbraw/zinc/88/89/71/650888971.db2.gz TUDPNUHVEJONRF-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743052 650888973 /nfs/dbraw/zinc/88/89/73/650888973.db2.gz TUDPNUHVEJONRF-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743052 650888975 /nfs/dbraw/zinc/88/89/75/650888975.db2.gz TUDPNUHVEJONRF-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(O)cc1C ZINC000872723235 649469396 /nfs/dbraw/zinc/46/93/96/649469396.db2.gz KCLPHBZQTGZKDN-ZFWWWQNUSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(O)cc1C ZINC000872723235 649469398 /nfs/dbraw/zinc/46/93/98/649469398.db2.gz KCLPHBZQTGZKDN-ZFWWWQNUSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(O)cc1C ZINC000872723235 649469400 /nfs/dbraw/zinc/46/94/00/649469400.db2.gz KCLPHBZQTGZKDN-ZFWWWQNUSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(O)cc1C ZINC000872723235 649469403 /nfs/dbraw/zinc/46/94/03/649469403.db2.gz KCLPHBZQTGZKDN-ZFWWWQNUSA-N 2 1 290.407 2.235 20 10 CECDMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725573 649469654 /nfs/dbraw/zinc/46/96/54/649469654.db2.gz UOQUZFBPQWCJPC-DOTOQJQBSA-N 2 1 286.419 2.407 20 10 CECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725573 649469656 /nfs/dbraw/zinc/46/96/56/649469656.db2.gz UOQUZFBPQWCJPC-DOTOQJQBSA-N 2 1 286.419 2.407 20 10 CECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725573 649469657 /nfs/dbraw/zinc/46/96/57/649469657.db2.gz UOQUZFBPQWCJPC-DOTOQJQBSA-N 2 1 286.419 2.407 20 10 CECDMP C[C@]1([NH3+])CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001204801654 806125233 /nfs/dbraw/zinc/12/52/33/806125233.db2.gz RWQOJXHYAXTQCG-INIZCTEOSA-N 2 1 256.349 2.469 20 10 CECDMP C[C@]1([NH3+])CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001204801654 806125237 /nfs/dbraw/zinc/12/52/37/806125237.db2.gz RWQOJXHYAXTQCG-INIZCTEOSA-N 2 1 256.349 2.469 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205146485 807822725 /nfs/dbraw/zinc/82/27/25/807822725.db2.gz XKRFJFYWPAHXLI-CMPLNLGQSA-N 2 1 268.788 2.381 20 10 CECDMP COc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000709012053 809940240 /nfs/dbraw/zinc/94/02/40/809940240.db2.gz XWPHZTGSKCVIHJ-CYBMUJFWSA-N 2 1 264.369 2.104 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000709012053 809940243 /nfs/dbraw/zinc/94/02/43/809940243.db2.gz XWPHZTGSKCVIHJ-CYBMUJFWSA-N 2 1 264.369 2.104 20 10 CECDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000392248003 813299086 /nfs/dbraw/zinc/29/90/86/813299086.db2.gz RREZQRCDPMSUSI-AWEZNQCLSA-N 2 1 258.365 2.231 20 10 CECDMP COc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256171 815996733 /nfs/dbraw/zinc/99/67/33/815996733.db2.gz VSPCPTGWKYNRAB-RISCZKNCSA-N 2 1 296.386 2.395 20 10 CECDMP COc1cc(C[N@H+]2C[C@@H](F)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256171 815996737 /nfs/dbraw/zinc/99/67/37/815996737.db2.gz VSPCPTGWKYNRAB-RISCZKNCSA-N 2 1 296.386 2.395 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000134004600 366277157 /nfs/dbraw/zinc/27/71/57/366277157.db2.gz SPMZJSOPVXHKEQ-UHFFFAOYSA-N 2 1 278.396 2.174 20 10 CECDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000180427892 368381458 /nfs/dbraw/zinc/38/14/58/368381458.db2.gz MYAHBZVLZZHNHI-NSHDSACASA-N 2 1 277.343 2.462 20 10 CECDMP CC[C@@H](c1ccccc1O)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367325509 373148660 /nfs/dbraw/zinc/14/86/60/373148660.db2.gz DBYNRHLSGRRGKJ-GUTXKFCHSA-N 2 1 260.381 2.337 20 10 CECDMP CC[C@@H](c1ccccc1O)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367325509 373148669 /nfs/dbraw/zinc/14/86/69/373148669.db2.gz DBYNRHLSGRRGKJ-GUTXKFCHSA-N 2 1 260.381 2.337 20 10 CECDMP CC[C@@H](c1ccccc1O)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000367325509 373148679 /nfs/dbraw/zinc/14/86/79/373148679.db2.gz DBYNRHLSGRRGKJ-GUTXKFCHSA-N 2 1 260.381 2.337 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124713950 394840154 /nfs/dbraw/zinc/84/01/54/394840154.db2.gz GGILFOQDZPNFER-LLVKDONJSA-N 2 1 268.788 2.477 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174514741 395125325 /nfs/dbraw/zinc/12/53/25/395125325.db2.gz WBWVGKFYQJODSP-OCCSQVGLSA-N 2 1 279.403 2.464 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[N@H+]1C ZINC000174514741 395125327 /nfs/dbraw/zinc/12/53/27/395125327.db2.gz WBWVGKFYQJODSP-OCCSQVGLSA-N 2 1 279.403 2.464 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530176967 333526921 /nfs/dbraw/zinc/52/69/21/333526921.db2.gz FHYVNZLBYUCOAW-OAHLLOKOSA-N 2 1 260.381 2.383 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000933732384 623982041 /nfs/dbraw/zinc/98/20/41/623982041.db2.gz POKLIUZBEMYIRS-DOTOQJQBSA-N 2 1 273.424 2.136 20 10 CECDMP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000933732384 623982044 /nfs/dbraw/zinc/98/20/44/623982044.db2.gz POKLIUZBEMYIRS-DOTOQJQBSA-N 2 1 273.424 2.136 20 10 CECDMP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000933732384 623982050 /nfs/dbraw/zinc/98/20/50/623982050.db2.gz POKLIUZBEMYIRS-DOTOQJQBSA-N 2 1 273.424 2.136 20 10 CECDMP COc1cccc(O)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000725846453 625762468 /nfs/dbraw/zinc/76/24/68/625762468.db2.gz FKPYFESAUWOEGU-UHFFFAOYSA-N 2 1 275.352 2.086 20 10 CECDMP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000925692499 628510528 /nfs/dbraw/zinc/51/05/28/628510528.db2.gz LPCYNFBNMXSUTP-CXAGYDPISA-N 2 1 269.392 2.489 20 10 CECDMP Cc1cc(N(C)C)ccc1CNCC[N@H+]1CC[C@@H](C)C1 ZINC000840935678 628753002 /nfs/dbraw/zinc/75/30/02/628753002.db2.gz AADAPMAARJZXCL-CQSZACIVSA-N 2 1 275.440 2.492 20 10 CECDMP Cc1cc(N(C)C)ccc1CNCC[N@@H+]1CC[C@@H](C)C1 ZINC000840935678 628753006 /nfs/dbraw/zinc/75/30/06/628753006.db2.gz AADAPMAARJZXCL-CQSZACIVSA-N 2 1 275.440 2.492 20 10 CECDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000808715817 632005747 /nfs/dbraw/zinc/00/57/47/632005747.db2.gz XNQXPRRAQAQMLA-NHYWBVRUSA-N 2 1 298.814 2.071 20 10 CECDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000808715817 632005750 /nfs/dbraw/zinc/00/57/50/632005750.db2.gz XNQXPRRAQAQMLA-NHYWBVRUSA-N 2 1 298.814 2.071 20 10 CECDMP CCN(CC)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000841049285 632352904 /nfs/dbraw/zinc/35/29/04/632352904.db2.gz JBTMFBPEAYXBPO-INIZCTEOSA-N 2 1 261.413 2.360 20 10 CECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000817947793 633794025 /nfs/dbraw/zinc/79/40/25/633794025.db2.gz RDWNZWGIAMCBKL-QFWMXSHPSA-N 2 1 292.379 2.099 20 10 CECDMP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1O ZINC000817973366 633816965 /nfs/dbraw/zinc/81/69/65/633816965.db2.gz DSFRTBPRJLBPTI-GDBMZVCRSA-N 2 1 278.396 2.202 20 10 CECDMP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000817977090 633820318 /nfs/dbraw/zinc/82/03/18/633820318.db2.gz AVEBVDBYBXQOHH-FWYOQMDTSA-N 2 1 259.397 2.011 20 10 CECDMP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817984807 633828497 /nfs/dbraw/zinc/82/84/97/633828497.db2.gz AIJPLLNWXSAIOI-NSHDSACASA-N 2 1 264.344 2.492 20 10 CECDMP CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302089 635555437 /nfs/dbraw/zinc/55/54/37/635555437.db2.gz RDIXKLWZXHKHEH-GASCZTMLSA-N 2 1 261.413 2.312 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000904411248 635619459 /nfs/dbraw/zinc/61/94/59/635619459.db2.gz KHKHNXBBPRGXFQ-DZGCQCFKSA-N 2 1 261.413 2.169 20 10 CECDMP CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1F ZINC000841077038 639647374 /nfs/dbraw/zinc/64/73/74/639647374.db2.gz XBRVJCXYOSSZTQ-NWDGAFQWSA-N 2 1 267.392 2.497 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1F ZINC000841086963 639651575 /nfs/dbraw/zinc/65/15/75/639651575.db2.gz FZIJJQPSYFMCDN-CQSZACIVSA-N 2 1 267.392 2.355 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000841101726 639667427 /nfs/dbraw/zinc/66/74/27/639667427.db2.gz ZTCAASKJNFIRJK-NHYWBVRUSA-N 2 1 262.397 2.426 20 10 CECDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843052783 640256313 /nfs/dbraw/zinc/25/63/13/640256313.db2.gz WEOIMXPFCYTYMB-GHMZBOCLSA-N 2 1 252.333 2.091 20 10 CECDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843052783 640256315 /nfs/dbraw/zinc/25/63/15/640256315.db2.gz WEOIMXPFCYTYMB-GHMZBOCLSA-N 2 1 252.333 2.091 20 10 CECDMP CN(C)c1ccc(C[N@H+](CC(C)(C)[NH3+])C2CC2)cc1 ZINC000843060982 640263890 /nfs/dbraw/zinc/26/38/90/640263890.db2.gz VQAJPKXRJJUBDX-UHFFFAOYSA-N 2 1 261.413 2.454 20 10 CECDMP CN(C)c1ccc(C[N@@H+](CC(C)(C)[NH3+])C2CC2)cc1 ZINC000843060982 640263895 /nfs/dbraw/zinc/26/38/95/640263895.db2.gz VQAJPKXRJJUBDX-UHFFFAOYSA-N 2 1 261.413 2.454 20 10 CECDMP Cc1cc(Cl)cc(C[N@H+](C)C2CC([NH3+])C2)c1O ZINC000843125643 640291983 /nfs/dbraw/zinc/29/19/83/640291983.db2.gz ZYXJZTRMGWIGRF-UHFFFAOYSA-N 2 1 254.761 2.276 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125188 640292277 /nfs/dbraw/zinc/29/22/77/640292277.db2.gz NRLQZEAPUYUNBL-KBPBESRZSA-N 2 1 290.407 2.222 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000253195852 641619955 /nfs/dbraw/zinc/61/99/55/641619955.db2.gz SCFISVYYETWUPH-CMPLNLGQSA-N 2 1 298.814 2.471 20 10 CECDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921969496 642817999 /nfs/dbraw/zinc/81/79/99/642817999.db2.gz XFDIUBSMESYENZ-UHFFFAOYSA-N 2 1 272.392 2.363 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923291453 643638637 /nfs/dbraw/zinc/63/86/37/643638637.db2.gz SQMIGAFBIGEWPD-UKRRQHHQSA-N 2 1 261.413 2.230 20 10 CECDMP COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000872725542 649469934 /nfs/dbraw/zinc/46/99/34/649469934.db2.gz UDNYXLWWAJTPSP-ZFWWWQNUSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000872725542 649469938 /nfs/dbraw/zinc/46/99/38/649469938.db2.gz UDNYXLWWAJTPSP-ZFWWWQNUSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000872725542 649469943 /nfs/dbraw/zinc/46/99/43/649469943.db2.gz UDNYXLWWAJTPSP-ZFWWWQNUSA-N 2 1 290.407 2.235 20 10 CECDMP Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000873216557 649593404 /nfs/dbraw/zinc/59/34/04/649593404.db2.gz QJLMMILYIGKHJE-CMPLNLGQSA-N 2 1 268.788 2.381 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873230172 649601388 /nfs/dbraw/zinc/60/13/88/649601388.db2.gz NBUCTZRAQYHXKO-CVEARBPZSA-N 2 1 260.381 2.383 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000382205791 803230821 /nfs/dbraw/zinc/23/08/21/803230821.db2.gz HGCJDRSOOVVKQU-OKILXGFUSA-N 2 1 260.381 2.132 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001172106209 815296275 /nfs/dbraw/zinc/29/62/75/815296275.db2.gz NMOLCNDSCPXCPA-BTTYYORXSA-N 2 1 276.380 2.203 20 10 CECDMP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206196978 815645462 /nfs/dbraw/zinc/64/54/62/815645462.db2.gz FKFISMVCZSAACV-UONOGXRCSA-N 2 1 266.360 2.216 20 10 CECDMP COc1cc(C[NH+]2CC3(CCC3)C2)cc(C[NH+](C)C)c1O ZINC001139255675 815996684 /nfs/dbraw/zinc/99/66/84/815996684.db2.gz RKWVKLWHTQRKIR-UHFFFAOYSA-N 2 1 290.407 2.448 20 10 CECDMP COc1cc(C[N@@H+](C)CCSC)cc(C[NH+](C)C)c1O ZINC001139259950 815998372 /nfs/dbraw/zinc/99/83/72/815998372.db2.gz FAUPHJFRMJYMNW-UHFFFAOYSA-N 2 1 298.452 2.257 20 10 CECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCF)cc2)CC1 ZINC001140306910 816227185 /nfs/dbraw/zinc/22/71/85/816227185.db2.gz ZZAQKBXCTHNJJJ-UHFFFAOYSA-N 2 1 279.403 2.230 20 10 CECDMP CN(C)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(Cl)c1 ZINC001140925279 816411954 /nfs/dbraw/zinc/41/19/54/816411954.db2.gz QUXSPJILVIXWQR-OKILXGFUSA-N 2 1 293.842 2.399 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1O ZINC000272625518 373587642 /nfs/dbraw/zinc/58/76/42/373587642.db2.gz MKGITCYIMNWNSH-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Oc1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371529023 373912696 /nfs/dbraw/zinc/91/26/96/373912696.db2.gz PPKACNFRBXHLQR-BMFZPTHFSA-N 2 1 290.382 2.447 20 10 CECDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371529023 373912720 /nfs/dbraw/zinc/91/27/20/373912720.db2.gz PPKACNFRBXHLQR-BMFZPTHFSA-N 2 1 290.382 2.447 20 10 CECDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371529023 373912726 /nfs/dbraw/zinc/91/27/26/373912726.db2.gz PPKACNFRBXHLQR-BMFZPTHFSA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371526826 373912963 /nfs/dbraw/zinc/91/29/63/373912963.db2.gz FXFOSJVIYPCMQN-YCPHGPKFSA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371526826 373912972 /nfs/dbraw/zinc/91/29/72/373912972.db2.gz FXFOSJVIYPCMQN-YCPHGPKFSA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371526826 373912980 /nfs/dbraw/zinc/91/29/80/373912980.db2.gz FXFOSJVIYPCMQN-YCPHGPKFSA-N 2 1 290.382 2.447 20 10 CECDMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000093644864 394668652 /nfs/dbraw/zinc/66/86/52/394668652.db2.gz JWHJZSQMYWCVBL-AAEUAGOBSA-N 2 1 292.379 2.035 20 10 CECDMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000093644864 394668656 /nfs/dbraw/zinc/66/86/56/394668656.db2.gz JWHJZSQMYWCVBL-AAEUAGOBSA-N 2 1 292.379 2.035 20 10 CECDMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CC[NH+]1C ZINC000093644864 394668660 /nfs/dbraw/zinc/66/86/60/394668660.db2.gz JWHJZSQMYWCVBL-AAEUAGOBSA-N 2 1 292.379 2.035 20 10 CECDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)CC[NH+]1C ZINC000093644864 394668662 /nfs/dbraw/zinc/66/86/62/394668662.db2.gz JWHJZSQMYWCVBL-AAEUAGOBSA-N 2 1 292.379 2.035 20 10 CECDMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000373523240 395062716 /nfs/dbraw/zinc/06/27/16/395062716.db2.gz VQTMUPPWYUOQCK-UHFFFAOYSA-N 2 1 296.418 2.430 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000071141935 176039978 /nfs/dbraw/zinc/03/99/78/176039978.db2.gz XDRHLWNEIBFTOO-JTQLQIEISA-N 2 1 254.761 2.087 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000071141935 176039979 /nfs/dbraw/zinc/03/99/79/176039979.db2.gz XDRHLWNEIBFTOO-JTQLQIEISA-N 2 1 254.761 2.087 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290611145 263117762 /nfs/dbraw/zinc/11/77/62/263117762.db2.gz WPKIGHQENSOUCS-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000290611145 263117763 /nfs/dbraw/zinc/11/77/63/263117763.db2.gz WPKIGHQENSOUCS-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000290611145 263117764 /nfs/dbraw/zinc/11/77/64/263117764.db2.gz WPKIGHQENSOUCS-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000368734739 267200941 /nfs/dbraw/zinc/20/09/41/267200941.db2.gz ZYOOVWCUZOWFKV-CKEIUWERSA-N 2 1 287.451 2.497 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530176965 333526987 /nfs/dbraw/zinc/52/69/87/333526987.db2.gz FHYVNZLBYUCOAW-HNNXBMFYSA-N 2 1 260.381 2.383 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277289799 524743669 /nfs/dbraw/zinc/74/36/69/524743669.db2.gz AOEQITXWHDQBDS-AWEZNQCLSA-N 2 1 278.396 2.317 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037267114 524767934 /nfs/dbraw/zinc/76/79/34/524767934.db2.gz KOCSLGHGYMKVHA-NSHDSACASA-N 2 1 264.369 2.146 20 10 CECDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000037256071 525294226 /nfs/dbraw/zinc/29/42/26/525294226.db2.gz XSOGTZLQMIJOIR-ZDUSSCGKSA-N 2 1 261.413 2.497 20 10 CECDMP COc1ccc(O)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040622410 623746250 /nfs/dbraw/zinc/74/62/50/623746250.db2.gz YKPFHXRGYITYGA-CYBMUJFWSA-N 2 1 278.396 2.221 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@]1(C)C[NH3+] ZINC000310938032 627325167 /nfs/dbraw/zinc/32/51/67/627325167.db2.gz VKGPSNYNYKVYHB-QMTHXVAHSA-N 2 1 268.788 2.462 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000313002067 628574783 /nfs/dbraw/zinc/57/47/83/628574783.db2.gz NJASTLJGQKPRAP-RDJZCZTQSA-N 2 1 273.424 2.313 20 10 CECDMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000841073428 634731011 /nfs/dbraw/zinc/73/10/11/634731011.db2.gz TXFMYUQBZYBTEG-LBPRGKRZSA-N 2 1 252.333 2.009 20 10 CECDMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000904333753 635577683 /nfs/dbraw/zinc/57/76/83/635577683.db2.gz FMROHGRFYCBPMA-IMJJTQAJSA-N 2 1 290.407 2.111 20 10 CECDMP COc1cc(Cl)cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1O ZINC000841031002 631814883 /nfs/dbraw/zinc/81/48/83/631814883.db2.gz QQUGATXJRQEIJM-LLVKDONJSA-N 2 1 272.776 2.127 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000816649407 633456734 /nfs/dbraw/zinc/45/67/34/633456734.db2.gz YRSYQVJULKDECC-GJZGRUSLSA-N 2 1 273.424 2.279 20 10 CECDMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817936747 633788094 /nfs/dbraw/zinc/78/80/94/633788094.db2.gz QWUCRUZZGVFZDT-CYBMUJFWSA-N 2 1 252.333 2.324 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2c1c(F)ccc2O ZINC000817953228 633797701 /nfs/dbraw/zinc/79/77/01/633797701.db2.gz XQFBLEHEQPXQHG-SCVCMEIPSA-N 2 1 264.344 2.421 20 10 CECDMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817968117 633811745 /nfs/dbraw/zinc/81/17/45/633811745.db2.gz PFGMEUWOGOBKFQ-SNVBAGLBSA-N 2 1 250.317 2.102 20 10 CECDMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1O ZINC000817976849 633819591 /nfs/dbraw/zinc/81/95/91/633819591.db2.gz VMJRDQGTOOGJOC-HZMBPMFUSA-N 2 1 264.344 2.324 20 10 CECDMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1O ZINC000817984711 633828547 /nfs/dbraw/zinc/82/85/47/633828547.db2.gz XQOWHCZFXPNMJZ-JTQLQIEISA-N 2 1 252.333 2.324 20 10 CECDMP Oc1ccccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960165 635369788 /nfs/dbraw/zinc/36/97/88/635369788.db2.gz YCWKMMZEKKGISN-INIZCTEOSA-N 2 1 260.381 2.358 20 10 CECDMP COC[C@]1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CCC[NH2+]1 ZINC000841068179 639642690 /nfs/dbraw/zinc/64/26/90/639642690.db2.gz WVFHDRNEEMCPJF-OAHLLOKOSA-N 2 1 298.814 2.212 20 10 CECDMP Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079790 639648311 /nfs/dbraw/zinc/64/83/11/639648311.db2.gz NZSNRWLZRNSLLL-GFCCVEGCSA-N 2 1 284.762 2.416 20 10 CECDMP COc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1O ZINC000843043678 640250130 /nfs/dbraw/zinc/25/01/30/640250130.db2.gz CBVXNOHKSXFYMW-UHFFFAOYSA-N 2 1 276.380 2.117 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000843124394 640290407 /nfs/dbraw/zinc/29/04/07/640290407.db2.gz AARAFWSTSIPDIU-SNAWJCMRSA-N 2 1 259.397 2.187 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125019 640290570 /nfs/dbraw/zinc/29/05/70/640290570.db2.gz LGTUWIRICLHYBS-ZIAGYGMSSA-N 2 1 290.407 2.222 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125016 640290878 /nfs/dbraw/zinc/29/08/78/640290878.db2.gz LGTUWIRICLHYBS-KBPBESRZSA-N 2 1 290.407 2.222 20 10 CECDMP Oc1c(F)cccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843126580 640293531 /nfs/dbraw/zinc/29/35/31/640293531.db2.gz KSLSHWVLRYMGDF-UHFFFAOYSA-N 2 1 264.344 2.107 20 10 CECDMP C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@H]1CC[NH3+] ZINC000844901213 640860436 /nfs/dbraw/zinc/86/04/36/640860436.db2.gz FZCVMLSBEXUJPN-FZMZJTMJSA-N 2 1 266.360 2.481 20 10 CECDMP C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@H]1CC[NH3+] ZINC000844901213 640860444 /nfs/dbraw/zinc/86/04/44/640860444.db2.gz FZCVMLSBEXUJPN-FZMZJTMJSA-N 2 1 266.360 2.481 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000844903244 640860923 /nfs/dbraw/zinc/86/09/23/640860923.db2.gz VXSDVRMCNWMSPE-YOEHRIQHSA-N 2 1 290.407 2.352 20 10 CECDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CN)c1O ZINC000070175516 641641870 /nfs/dbraw/zinc/64/18/70/641641870.db2.gz OROJWMQXNUNPKK-OCCSQVGLSA-N 2 1 278.396 2.350 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000877642250 650830959 /nfs/dbraw/zinc/83/09/59/650830959.db2.gz IIHNYNMMOFYSQS-HNNXBMFYSA-N 2 1 292.423 2.243 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923291892 643641553 /nfs/dbraw/zinc/64/15/53/643641553.db2.gz TXTLZKRIYZBSER-OAHLLOKOSA-N 2 1 261.413 2.102 20 10 CECDMP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877743513 650888577 /nfs/dbraw/zinc/88/85/77/650888577.db2.gz KWHPFIOUOMAFIH-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877743513 650888581 /nfs/dbraw/zinc/88/85/81/650888581.db2.gz KWHPFIOUOMAFIH-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877743513 650888582 /nfs/dbraw/zinc/88/85/82/650888582.db2.gz KWHPFIOUOMAFIH-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000877743513 650888587 /nfs/dbraw/zinc/88/85/87/650888587.db2.gz KWHPFIOUOMAFIH-ZFWWWQNUSA-N 2 1 290.407 2.317 20 10 CECDMP Cc1cc(Cl)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000775746925 646986482 /nfs/dbraw/zinc/98/64/82/646986482.db2.gz HYKUJMKDPUQAFN-RYUDHWBXSA-N 2 1 266.772 2.005 20 10 CECDMP COc1ccc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128094210 651363073 /nfs/dbraw/zinc/36/30/73/651363073.db2.gz KPYGUAVDDCEKSU-UONOGXRCSA-N 2 1 276.380 2.117 20 10 CECDMP C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1[NH3+] ZINC000128350805 651423307 /nfs/dbraw/zinc/42/33/07/651423307.db2.gz CGBVNTLKENAFBZ-CABZTGNLSA-N 2 1 254.761 2.215 20 10 CECDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@@H]1[NH3+] ZINC000128350805 651423308 /nfs/dbraw/zinc/42/33/08/651423308.db2.gz CGBVNTLKENAFBZ-CABZTGNLSA-N 2 1 254.761 2.215 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118242040 814997295 /nfs/dbraw/zinc/99/72/95/814997295.db2.gz VAJAKFOPJPQYOE-MRXNPFEDSA-N 2 1 273.424 2.328 20 10 CECDMP COc1cc(N(C)C)ccc1C[N@H+](C)C1CCN(C)CC1 ZINC001231849327 807194123 /nfs/dbraw/zinc/19/41/23/807194123.db2.gz RGTFRBRVANUHOX-UHFFFAOYSA-N 2 1 291.439 2.287 20 10 CECDMP COc1cc(N(C)C)ccc1C[N@@H+](C)C1CCN(C)CC1 ZINC001231849327 807194127 /nfs/dbraw/zinc/19/41/27/807194127.db2.gz RGTFRBRVANUHOX-UHFFFAOYSA-N 2 1 291.439 2.287 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001172110344 815301384 /nfs/dbraw/zinc/30/13/84/815301384.db2.gz MNNHRBIXQKJDGV-ZSOGYDGISA-N 2 1 276.380 2.203 20 10 CECDMP COc1cccc(C[N@@H+](C)CCCCCC[NH3+])c1O ZINC000710830556 809995018 /nfs/dbraw/zinc/99/50/18/809995018.db2.gz CIFOBRFVWDHFKM-UHFFFAOYSA-N 2 1 266.385 2.352 20 10 CECDMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1O ZINC000397356401 813614344 /nfs/dbraw/zinc/61/43/44/813614344.db2.gz FQSAVTYNGXIMHO-SCRDCRAPSA-N 2 1 278.396 2.206 20 10 CECDMP CCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439727 814853754 /nfs/dbraw/zinc/85/37/54/814853754.db2.gz PNZXCFOTDNPWAG-UHFFFAOYSA-N 2 1 279.403 2.419 20 10 CECDMP CCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439727 814853760 /nfs/dbraw/zinc/85/37/60/814853760.db2.gz PNZXCFOTDNPWAG-UHFFFAOYSA-N 2 1 279.403 2.419 20 10 CECDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140745549 816341093 /nfs/dbraw/zinc/34/10/93/816341093.db2.gz KKNNEUAIAFZXMB-UHFFFAOYSA-N 2 1 278.396 2.322 20 10 CECDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140745549 816341098 /nfs/dbraw/zinc/34/10/98/816341098.db2.gz KKNNEUAIAFZXMB-UHFFFAOYSA-N 2 1 278.396 2.322 20 10 CECDMP CCOc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000271831136 373203333 /nfs/dbraw/zinc/20/33/33/373203333.db2.gz OVNVHXBWJPIXBY-UHFFFAOYSA-N 2 1 276.380 2.142 20 10 CECDMP COc1cc(Cl)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1O ZINC000194537368 395440243 /nfs/dbraw/zinc/44/02/43/395440243.db2.gz YYPLHXWWUWJWQE-TXEJJXNPSA-N 2 1 296.798 2.048 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185008591 262037833 /nfs/dbraw/zinc/03/78/33/262037833.db2.gz BQYNPKNTEAQQPM-CYBMUJFWSA-N 2 1 296.411 2.020 20 10 CECDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185145116 262044097 /nfs/dbraw/zinc/04/40/97/262044097.db2.gz HYNYCSDXBPOXOB-AWEZNQCLSA-N 2 1 292.423 2.462 20 10 CECDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000277406901 522098434 /nfs/dbraw/zinc/09/84/34/522098434.db2.gz IBUVLFCVACRFQW-ZDUSSCGKSA-N 2 1 292.379 2.037 20 10 CECDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000277406901 522098448 /nfs/dbraw/zinc/09/84/48/522098448.db2.gz IBUVLFCVACRFQW-ZDUSSCGKSA-N 2 1 292.379 2.037 20 10 CECDMP COc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1O ZINC000037140983 526010323 /nfs/dbraw/zinc/01/03/23/526010323.db2.gz ADLYPDGENLVPJK-UHFFFAOYSA-N 2 1 276.380 2.117 20 10 CECDMP Oc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733331051 574665177 /nfs/dbraw/zinc/66/51/77/574665177.db2.gz YJSJATSVFXUWSH-INIZCTEOSA-N 2 1 290.407 2.125 20 10 CECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000742207084 575010572 /nfs/dbraw/zinc/01/05/72/575010572.db2.gz OXKYVENEXZNXQK-CJNGLKHVSA-N 2 1 274.408 2.441 20 10 CECDMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000742374630 575017830 /nfs/dbraw/zinc/01/78/30/575017830.db2.gz AQWZPBLGNVLUPS-TZMCWYRMSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000742374630 575017832 /nfs/dbraw/zinc/01/78/32/575017832.db2.gz AQWZPBLGNVLUPS-TZMCWYRMSA-N 2 1 278.396 2.363 20 10 CECDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000843127195 631749401 /nfs/dbraw/zinc/74/94/01/631749401.db2.gz BKVZKINRLGGXRK-OAHLLOKOSA-N 2 1 260.381 2.465 20 10 CECDMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817945954 633792103 /nfs/dbraw/zinc/79/21/03/633792103.db2.gz OHYFCOLFXNSAQK-GHMZBOCLSA-N 2 1 252.333 2.182 20 10 CECDMP Nc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000817957887 633799845 /nfs/dbraw/zinc/79/98/45/633799845.db2.gz QLRUPJRTZCWMLW-UHFFFAOYSA-N 2 1 259.397 2.028 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000904411582 635619562 /nfs/dbraw/zinc/61/95/62/635619562.db2.gz NTAQGLFGESHSMC-UONOGXRCSA-N 2 1 262.397 2.426 20 10 CECDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000827855791 636443526 /nfs/dbraw/zinc/44/35/26/636443526.db2.gz IMYIJJYVLCLMFN-OAHLLOKOSA-N 2 1 296.386 2.074 20 10 CECDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000827855791 636443528 /nfs/dbraw/zinc/44/35/28/636443528.db2.gz IMYIJJYVLCLMFN-OAHLLOKOSA-N 2 1 296.386 2.074 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841085706 637397706 /nfs/dbraw/zinc/39/77/06/637397706.db2.gz BCCSQKGMBLNCIT-XJKSGUPXSA-N 2 1 290.407 2.365 20 10 CECDMP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000841085223 639650772 /nfs/dbraw/zinc/65/07/72/639650772.db2.gz XBVLPBPKDYZOFL-IUCAKERBSA-N 2 1 272.751 2.402 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1F ZINC000841086961 639652267 /nfs/dbraw/zinc/65/22/67/639652267.db2.gz FZIJJQPSYFMCDN-AWEZNQCLSA-N 2 1 267.392 2.355 20 10 CECDMP Oc1cccc(Cl)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000841092016 639654573 /nfs/dbraw/zinc/65/45/73/639654573.db2.gz JNQIGKNGMNTJDL-UHFFFAOYSA-N 2 1 254.761 2.277 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000229104925 639676546 /nfs/dbraw/zinc/67/65/46/639676546.db2.gz HYQBRHYMTUHHRU-ZJUUUORDSA-N 2 1 284.787 2.223 20 10 CECDMP Cc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1O ZINC000843044106 640249629 /nfs/dbraw/zinc/24/96/29/640249629.db2.gz SXNZXZBSVDTNGA-UHFFFAOYSA-N 2 1 260.381 2.417 20 10 CECDMP CN(C)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000843043658 640249645 /nfs/dbraw/zinc/24/96/45/640249645.db2.gz AUXIXZWPJUXZPN-UHFFFAOYSA-N 2 1 273.424 2.469 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH+]2CCC([NH3+])CC2)cc1 ZINC000843047106 640251230 /nfs/dbraw/zinc/25/12/30/640251230.db2.gz GYAJPHBCKXUDLQ-ARJAWSKDSA-N 2 1 259.397 2.189 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843052085 640254400 /nfs/dbraw/zinc/25/44/00/640254400.db2.gz FZMTYAKJEBDMOK-APHBUQMISA-N 2 1 273.424 2.307 20 10 CECDMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843052152 640254898 /nfs/dbraw/zinc/25/48/98/640254898.db2.gz IKSRMJXLEZDEBJ-LLVKDONJSA-N 2 1 268.788 2.395 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843052152 640254900 /nfs/dbraw/zinc/25/49/00/640254900.db2.gz IKSRMJXLEZDEBJ-LLVKDONJSA-N 2 1 268.788 2.395 20 10 CECDMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000843052798 640256178 /nfs/dbraw/zinc/25/61/78/640256178.db2.gz WJIHVJJPTNKREU-XUOJHOASSA-N 2 1 273.424 2.435 20 10 CECDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058673 640260967 /nfs/dbraw/zinc/26/09/67/640260967.db2.gz VSJXVTDCYSQTPM-DGCLKSJQSA-N 2 1 265.376 2.061 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843117282 640286920 /nfs/dbraw/zinc/28/69/20/640286920.db2.gz OEEOBPKOFLWZPO-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP COc1cccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1O ZINC000845995302 641147242 /nfs/dbraw/zinc/14/72/42/641147242.db2.gz BRVYKXOZYFCLKJ-UHFFFAOYSA-N 2 1 280.412 2.468 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000846703818 641403716 /nfs/dbraw/zinc/40/37/16/641403716.db2.gz QLINSTAQXHMYMC-UKRRQHHQSA-N 2 1 261.413 2.373 20 10 CECDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877736935 650878580 /nfs/dbraw/zinc/87/85/80/650878580.db2.gz CAGOOHVXLXSCCA-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(O)c1 ZINC000877736935 650878583 /nfs/dbraw/zinc/87/85/83/650878583.db2.gz CAGOOHVXLXSCCA-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(O)c1 ZINC000877736935 650878586 /nfs/dbraw/zinc/87/85/86/650878586.db2.gz CAGOOHVXLXSCCA-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877743510 650888885 /nfs/dbraw/zinc/88/88/85/650888885.db2.gz KWHPFIOUOMAFIH-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877743510 650888889 /nfs/dbraw/zinc/88/88/89/650888889.db2.gz KWHPFIOUOMAFIH-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877743510 650888891 /nfs/dbraw/zinc/88/88/91/650888891.db2.gz KWHPFIOUOMAFIH-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000877743510 650888895 /nfs/dbraw/zinc/88/88/95/650888895.db2.gz KWHPFIOUOMAFIH-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735847 644422017 /nfs/dbraw/zinc/42/20/17/644422017.db2.gz DTEIRLOEXPBPNP-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735847 644422019 /nfs/dbraw/zinc/42/20/19/644422019.db2.gz DTEIRLOEXPBPNP-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735847 644422020 /nfs/dbraw/zinc/42/20/20/644422020.db2.gz DTEIRLOEXPBPNP-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857226261 644857973 /nfs/dbraw/zinc/85/79/73/644857973.db2.gz JKNSISBCRXUEKZ-DOTOQJQBSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857226261 644857982 /nfs/dbraw/zinc/85/79/82/644857982.db2.gz JKNSISBCRXUEKZ-DOTOQJQBSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857226264 644858739 /nfs/dbraw/zinc/85/87/39/644858739.db2.gz JKNSISBCRXUEKZ-WBVHZDCISA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857226264 644858744 /nfs/dbraw/zinc/85/87/44/644858744.db2.gz JKNSISBCRXUEKZ-WBVHZDCISA-N 2 1 273.424 2.374 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857783083 644967726 /nfs/dbraw/zinc/96/77/26/644967726.db2.gz SGOREZVYOKJJJQ-PLNGDYQASA-N 2 1 284.407 2.332 20 10 CECDMP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770395466 646387321 /nfs/dbraw/zinc/38/73/21/646387321.db2.gz RJJYZYDBFUNZMT-GJZGRUSLSA-N 2 1 291.414 2.323 20 10 CECDMP COc1cc(C)cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000793770991 648796098 /nfs/dbraw/zinc/79/60/98/648796098.db2.gz XRUNLNGLSURWHX-KRWDZBQOSA-N 2 1 290.407 2.237 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000793770991 648796102 /nfs/dbraw/zinc/79/61/02/648796102.db2.gz XRUNLNGLSURWHX-KRWDZBQOSA-N 2 1 290.407 2.237 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000793770991 648796104 /nfs/dbraw/zinc/79/61/04/648796104.db2.gz XRUNLNGLSURWHX-KRWDZBQOSA-N 2 1 290.407 2.237 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873230175 649601497 /nfs/dbraw/zinc/60/14/97/649601497.db2.gz NBUCTZRAQYHXKO-JKSUJKDBSA-N 2 1 260.381 2.383 20 10 CECDMP C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C(F)F ZINC000883407545 652459618 /nfs/dbraw/zinc/45/96/18/652459618.db2.gz YLWTYOBYUDLXGG-LBPRGKRZSA-N 2 1 283.366 2.182 20 10 CECDMP CCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000691524098 812001761 /nfs/dbraw/zinc/00/17/61/812001761.db2.gz RFKJXXXJADWKAJ-CYBMUJFWSA-N 2 1 262.397 2.386 20 10 CECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+] ZINC000397304686 813611795 /nfs/dbraw/zinc/61/17/95/813611795.db2.gz GHDXMDMMJZUQEV-MDZLAQPJSA-N 2 1 266.360 2.337 20 10 CECDMP CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116436810 814853523 /nfs/dbraw/zinc/85/35/23/814853523.db2.gz BTPHKSSTGWWKRZ-UHFFFAOYSA-N 2 1 265.376 2.029 20 10 CECDMP CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116436810 814853526 /nfs/dbraw/zinc/85/35/26/814853526.db2.gz BTPHKSSTGWWKRZ-UHFFFAOYSA-N 2 1 265.376 2.029 20 10 CECDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(O)ccc1O ZINC001141161475 816491325 /nfs/dbraw/zinc/49/13/25/816491325.db2.gz FKRQXQQSRHDZFM-UHFFFAOYSA-N 2 1 266.385 2.262 20 10 CECDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069160315 816861273 /nfs/dbraw/zinc/86/12/73/816861273.db2.gz FHTGMFKWMINDTQ-HNNXBMFYSA-N 2 1 274.408 2.443 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2O)C1 ZINC000180550022 368386252 /nfs/dbraw/zinc/38/62/52/368386252.db2.gz TVGIUINRMFJJTQ-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180550022 368386257 /nfs/dbraw/zinc/38/62/57/368386257.db2.gz TVGIUINRMFJJTQ-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000180550022 368386266 /nfs/dbraw/zinc/38/62/66/368386266.db2.gz TVGIUINRMFJJTQ-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(C)c1O ZINC000271793572 373201612 /nfs/dbraw/zinc/20/16/12/373201612.db2.gz ATNBLMWORXIVTP-UHFFFAOYSA-N 2 1 259.353 2.385 20 10 CECDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1O ZINC000374890897 374635577 /nfs/dbraw/zinc/63/55/77/374635577.db2.gz FEXGDYVJEXMTIW-BFYDXBDKSA-N 2 1 290.407 2.076 20 10 CECDMP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000093597858 394667333 /nfs/dbraw/zinc/66/73/33/394667333.db2.gz IQBAQUIOIIGRLG-AWEZNQCLSA-N 2 1 290.407 2.319 20 10 CECDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000236179639 628974842 /nfs/dbraw/zinc/97/48/42/628974842.db2.gz XNLNWSWFIXQOEL-NSHDSACASA-N 2 1 252.333 2.092 20 10 CECDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000876929653 650490585 /nfs/dbraw/zinc/49/05/85/650490585.db2.gz LJZJUTJYFZSXKS-CYBMUJFWSA-N 2 1 260.381 2.275 20 10 CECDMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CC[N@@H+]1C ZINC000226612775 639555615 /nfs/dbraw/zinc/55/56/15/639555615.db2.gz WRGSLHMGTXPBLZ-GWCFXTLKSA-N 2 1 252.333 2.104 20 10 CECDMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CC[N@H+]1C ZINC000226612775 639555622 /nfs/dbraw/zinc/55/56/22/639555622.db2.gz WRGSLHMGTXPBLZ-GWCFXTLKSA-N 2 1 252.333 2.104 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1C ZINC000841037625 639628964 /nfs/dbraw/zinc/62/89/64/639628964.db2.gz BQHQMTHIXUASBH-CQSZACIVSA-N 2 1 250.386 2.472 20 10 CECDMP COc1ccc(N2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841041679 639629875 /nfs/dbraw/zinc/62/98/75/639629875.db2.gz DTXQUDQOBMJOFW-OAHLLOKOSA-N 2 1 289.423 2.006 20 10 CECDMP CCC[NH2+]CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000841046650 639630766 /nfs/dbraw/zinc/63/07/66/639630766.db2.gz KMNIVYVSFLDWQT-UHFFFAOYSA-N 2 1 291.439 2.253 20 10 CECDMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(F)c1O)C2 ZINC000844902625 640861000 /nfs/dbraw/zinc/86/10/00/640861000.db2.gz UBLNJPRXXOGBQN-WFASDCNBSA-N 2 1 264.344 2.092 20 10 CECDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(F)c1O)C2 ZINC000844902625 640861006 /nfs/dbraw/zinc/86/10/06/640861006.db2.gz UBLNJPRXXOGBQN-WFASDCNBSA-N 2 1 264.344 2.092 20 10 CECDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000846698208 641400192 /nfs/dbraw/zinc/40/01/92/641400192.db2.gz CHBNLGIMFDWPGY-WCQYABFASA-N 2 1 265.376 2.203 20 10 CECDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000846698208 641400196 /nfs/dbraw/zinc/40/01/96/641400196.db2.gz CHBNLGIMFDWPGY-WCQYABFASA-N 2 1 265.376 2.203 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1O ZINC000252853765 641590348 /nfs/dbraw/zinc/59/03/48/641590348.db2.gz JIJQCWKKEAFYER-QEJZJMRPSA-N 2 1 290.407 2.350 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252861334 641591757 /nfs/dbraw/zinc/59/17/57/641591757.db2.gz NLZNUUCMCVIGPL-XIRDDKMYSA-N 2 1 273.424 2.312 20 10 CECDMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC000877636279 650827907 /nfs/dbraw/zinc/82/79/07/650827907.db2.gz RNZFSKORYDGXHV-MRXNPFEDSA-N 2 1 290.407 2.044 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC000923330652 643661361 /nfs/dbraw/zinc/66/13/61/643661361.db2.gz BVDUALNLVMQQCG-KRWDZBQOSA-N 2 1 273.424 2.246 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1N(C)C ZINC000923398928 643697106 /nfs/dbraw/zinc/69/71/06/643697106.db2.gz OSHCPQQPELHNPU-NVXWUHKLSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1N(C)C ZINC000923398928 643697110 /nfs/dbraw/zinc/69/71/10/643697110.db2.gz OSHCPQQPELHNPU-NVXWUHKLSA-N 2 1 273.424 2.374 20 10 CECDMP COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854216634 644013330 /nfs/dbraw/zinc/01/33/30/644013330.db2.gz BNZPQFYZGXGJFZ-JKIFEVAISA-N 2 1 289.423 2.004 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000763617967 645560531 /nfs/dbraw/zinc/56/05/31/645560531.db2.gz YGXSCDJBBBUDAB-CYBMUJFWSA-N 2 1 278.396 2.317 20 10 CECDMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000122381701 648332969 /nfs/dbraw/zinc/33/29/69/648332969.db2.gz RCVWGVLGYSHSSQ-HOCLYGCPSA-N 2 1 261.413 2.312 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229408 649600583 /nfs/dbraw/zinc/60/05/83/649600583.db2.gz XILMARRPSWDJRM-HRMTXBTBSA-N 2 1 285.435 2.307 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229408 649600587 /nfs/dbraw/zinc/60/05/87/649600587.db2.gz XILMARRPSWDJRM-HRMTXBTBSA-N 2 1 285.435 2.307 20 10 CECDMP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1O ZINC000873258784 649613617 /nfs/dbraw/zinc/61/36/17/649613617.db2.gz VZNGENRJGZZHRU-IRUJWGPZSA-N 2 1 252.333 2.309 20 10 CECDMP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001140958300 816425967 /nfs/dbraw/zinc/42/59/67/816425967.db2.gz XFAMKIWJUGBNBQ-GDBMZVCRSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000179733801 368348941 /nfs/dbraw/zinc/34/89/41/368348941.db2.gz MGMQVVOQXHZAIE-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1O ZINC000179733801 368348947 /nfs/dbraw/zinc/34/89/47/368348947.db2.gz MGMQVVOQXHZAIE-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000179733801 368348951 /nfs/dbraw/zinc/34/89/51/368348951.db2.gz MGMQVVOQXHZAIE-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP COc1cc(Cl)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000273792684 373770722 /nfs/dbraw/zinc/77/07/22/373770722.db2.gz VOXGUCKZHWWUFU-UHFFFAOYSA-N 2 1 296.798 2.406 20 10 CECDMP Oc1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371529025 373912467 /nfs/dbraw/zinc/91/24/67/373912467.db2.gz PPKACNFRBXHLQR-KBMXLJTQSA-N 2 1 290.382 2.447 20 10 CECDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371529025 373912484 /nfs/dbraw/zinc/91/24/84/373912484.db2.gz PPKACNFRBXHLQR-KBMXLJTQSA-N 2 1 290.382 2.447 20 10 CECDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371529025 373912489 /nfs/dbraw/zinc/91/24/89/373912489.db2.gz PPKACNFRBXHLQR-KBMXLJTQSA-N 2 1 290.382 2.447 20 10 CECDMP Cc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292752730 395204134 /nfs/dbraw/zinc/20/41/34/395204134.db2.gz IPVDHQDPPHVIQZ-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292752730 395204139 /nfs/dbraw/zinc/20/41/39/395204139.db2.gz IPVDHQDPPHVIQZ-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292752730 395204142 /nfs/dbraw/zinc/20/41/42/395204142.db2.gz IPVDHQDPPHVIQZ-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Oc1cccc2c1[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217564 333528586 /nfs/dbraw/zinc/52/85/86/333528586.db2.gz UAVNJYAOGDBZSK-GXTWGEPZSA-N 2 1 258.365 2.254 20 10 CECDMP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000313395060 628594224 /nfs/dbraw/zinc/59/42/24/628594224.db2.gz SOJYKKGPVQKIER-WFASDCNBSA-N 2 1 272.392 2.453 20 10 CECDMP Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310955067 629747244 /nfs/dbraw/zinc/74/72/44/629747244.db2.gz CDUMKFPTZWIQRN-CQSZACIVSA-N 2 1 266.772 2.231 20 10 CECDMP Oc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310955067 629747249 /nfs/dbraw/zinc/74/72/49/629747249.db2.gz CDUMKFPTZWIQRN-CQSZACIVSA-N 2 1 266.772 2.231 20 10 CECDMP CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817896388 633757908 /nfs/dbraw/zinc/75/79/08/633757908.db2.gz ICVCTLOSAVGGEP-CVEARBPZSA-N 2 1 261.413 2.373 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000817947792 633793317 /nfs/dbraw/zinc/79/33/17/633793317.db2.gz RDWNZWGIAMCBKL-PKSQDBQZSA-N 2 1 292.379 2.099 20 10 CECDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H]2CCC[C@@H]21 ZINC000817957712 633799999 /nfs/dbraw/zinc/79/99/99/633799999.db2.gz OMYBXRIVUXEZSS-IKGGRYGDSA-N 2 1 273.424 2.274 20 10 CECDMP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817966994 633810134 /nfs/dbraw/zinc/81/01/34/633810134.db2.gz BJXXCLITSGDXMH-CQSZACIVSA-N 2 1 264.344 2.492 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000904406754 635614110 /nfs/dbraw/zinc/61/41/10/635614110.db2.gz VPRWPFANIRHMFS-LBPRGKRZSA-N 2 1 265.376 2.062 20 10 CECDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4c(cc3O)CCC4)C[C@]2(C)C1 ZINC000904435629 635630125 /nfs/dbraw/zinc/63/01/25/635630125.db2.gz CHUDANRMYZWROF-AEFFLSMTSA-N 2 1 286.419 2.264 20 10 CECDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)C[C@]2(C)C1 ZINC000904435629 635630128 /nfs/dbraw/zinc/63/01/28/635630128.db2.gz CHUDANRMYZWROF-AEFFLSMTSA-N 2 1 286.419 2.264 20 10 CECDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@]2(C)C1 ZINC000904435629 635630133 /nfs/dbraw/zinc/63/01/33/635630133.db2.gz CHUDANRMYZWROF-AEFFLSMTSA-N 2 1 286.419 2.264 20 10 CECDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000904450280 635642177 /nfs/dbraw/zinc/64/21/77/635642177.db2.gz QPURGCITQUAYHA-UHFFFAOYSA-N 2 1 259.397 2.258 20 10 CECDMP Cc1cc(Cl)cc(C[NH2+][C@@H](C[NH3+])C2CC2)c1O ZINC000841027660 639620098 /nfs/dbraw/zinc/62/00/98/639620098.db2.gz DUNKQESFKHYCLM-LBPRGKRZSA-N 2 1 254.761 2.181 20 10 CECDMP CCN(CC)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000841028093 639621439 /nfs/dbraw/zinc/62/14/39/639621439.db2.gz LNPFCCIIWAVSSC-MRXNPFEDSA-N 2 1 261.413 2.360 20 10 CECDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000843058496 640261892 /nfs/dbraw/zinc/26/18/92/640261892.db2.gz URQCBZFGUSWZJZ-AAEUAGOBSA-N 2 1 265.376 2.061 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000843113606 640285396 /nfs/dbraw/zinc/28/53/96/640285396.db2.gz YMNRZWZEMCHKPY-ZDUSSCGKSA-N 2 1 279.403 2.453 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843124132 640290602 /nfs/dbraw/zinc/29/06/02/640290602.db2.gz VGIWQYQSFGMFGC-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843124130 640290858 /nfs/dbraw/zinc/29/08/58/640290858.db2.gz VGIWQYQSFGMFGC-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000843122381 640291325 /nfs/dbraw/zinc/29/13/25/640291325.db2.gz BVNBLXMASIMKOM-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843343356 640396330 /nfs/dbraw/zinc/39/63/30/640396330.db2.gz ZRUSKTCOEFZNSU-GFCCVEGCSA-N 2 1 294.395 2.349 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](F)C3)cc2)CC1 ZINC000846121384 641193332 /nfs/dbraw/zinc/19/33/32/641193332.db2.gz YYZCTDUYBZNJOT-INIZCTEOSA-N 2 1 291.414 2.372 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846142286 641199097 /nfs/dbraw/zinc/19/90/97/641199097.db2.gz ZVKIHDFJTONYLT-OLZOCXBDSA-N 2 1 278.396 2.393 20 10 CECDMP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000846147745 641201785 /nfs/dbraw/zinc/20/17/85/641201785.db2.gz VIPDQCYIWSDLIL-CHWSQXEVSA-N 2 1 278.396 2.393 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000846698517 641400351 /nfs/dbraw/zinc/40/03/51/641400351.db2.gz IHEOOZHPALTUAG-DGCLKSJQSA-N 2 1 264.369 2.103 20 10 CECDMP CCOc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000070148530 641635080 /nfs/dbraw/zinc/63/50/80/641635080.db2.gz JELFXUZHZQUUNX-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(O)c1 ZINC000877530984 650770545 /nfs/dbraw/zinc/77/05/45/650770545.db2.gz HFDWRDIIQHJVIZ-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(O)c1 ZINC000877530984 650770548 /nfs/dbraw/zinc/77/05/48/650770548.db2.gz HFDWRDIIQHJVIZ-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(O)c1 ZINC000877530984 650770550 /nfs/dbraw/zinc/77/05/50/650770550.db2.gz HFDWRDIIQHJVIZ-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(O)c1 ZINC000877530984 650770551 /nfs/dbraw/zinc/77/05/51/650770551.db2.gz HFDWRDIIQHJVIZ-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854216633 644013417 /nfs/dbraw/zinc/01/34/17/644013417.db2.gz BNZPQFYZGXGJFZ-JJRVBVJISA-N 2 1 289.423 2.004 20 10 CECDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000126797238 650946542 /nfs/dbraw/zinc/94/65/42/650946542.db2.gz XRVWDFNPFVPVKY-UWVGGRQHSA-N 2 1 254.761 2.215 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1C ZINC000857226760 644859908 /nfs/dbraw/zinc/85/99/08/644859908.db2.gz YWDFBBPBNKHWFB-ZBFHGGJFSA-N 2 1 260.381 2.322 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768464820 646127793 /nfs/dbraw/zinc/12/77/93/646127793.db2.gz AVMWVOFWJCWSNE-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768464820 646127797 /nfs/dbraw/zinc/12/77/97/646127797.db2.gz AVMWVOFWJCWSNE-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768464820 646127798 /nfs/dbraw/zinc/12/77/98/646127798.db2.gz AVMWVOFWJCWSNE-AWEZNQCLSA-N 2 1 292.423 2.483 20 10 CECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000775703563 646982763 /nfs/dbraw/zinc/98/27/63/646982763.db2.gz SVJMJFFJWORPLY-UHFFFAOYSA-N 2 1 273.424 2.423 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130590356 652291800 /nfs/dbraw/zinc/29/18/00/652291800.db2.gz SPCVDHPUDCHZKK-CFVMTHIKSA-N 2 1 260.381 2.260 20 10 CECDMP CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1O ZINC000883442915 652472122 /nfs/dbraw/zinc/47/21/22/652472122.db2.gz VWHJRZDGMIUNNC-STQMWFEESA-N 2 1 296.798 2.464 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000133389822 652624133 /nfs/dbraw/zinc/62/41/33/652624133.db2.gz LVDYHQLETMMSCG-CQSZACIVSA-N 2 1 266.385 2.206 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204782781 805955600 /nfs/dbraw/zinc/95/56/00/805955600.db2.gz IYOUBNBEYPWPJJ-MRXNPFEDSA-N 2 1 277.412 2.162 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204782781 805955604 /nfs/dbraw/zinc/95/56/04/805955604.db2.gz IYOUBNBEYPWPJJ-MRXNPFEDSA-N 2 1 277.412 2.162 20 10 CECDMP C[NH+]1CCN(c2ccc(CNc3ccc(N)[nH+]c3)cc2)CC1 ZINC001167434757 802812654 /nfs/dbraw/zinc/81/26/54/802812654.db2.gz WEGHVQITUCHZAZ-UHFFFAOYSA-N 2 1 297.406 2.028 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC001205141097 807789962 /nfs/dbraw/zinc/78/99/62/807789962.db2.gz VTRYZXFJILYZSG-DZGCQCFKSA-N 2 1 291.439 2.265 20 10 CECDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000381742124 810864798 /nfs/dbraw/zinc/86/47/98/810864798.db2.gz PIOZBCPDFONMRL-TZMCWYRMSA-N 2 1 260.381 2.311 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC=CCC3)cc2F)CC1 ZINC001116506810 814858763 /nfs/dbraw/zinc/85/87/63/814858763.db2.gz HOXWTBVYUASZIH-UHFFFAOYSA-N 2 1 289.398 2.339 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC=CCC3)cc2F)CC1 ZINC001116506810 814858767 /nfs/dbraw/zinc/85/87/67/814858767.db2.gz HOXWTBVYUASZIH-UHFFFAOYSA-N 2 1 289.398 2.339 20 10 CECDMP CC[N@@H+](Cc1cc(F)ccc1O)C1CCN(C)CC1 ZINC001140055662 816179557 /nfs/dbraw/zinc/17/95/57/816179557.db2.gz OMJUCYQJDTXTCL-UHFFFAOYSA-N 2 1 266.360 2.447 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206351655 816803924 /nfs/dbraw/zinc/80/39/24/816803924.db2.gz HKHXULCKZCTCCJ-HNNXBMFYSA-N 2 1 266.360 2.354 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179630687 368345200 /nfs/dbraw/zinc/34/52/00/368345200.db2.gz LYPXFPAXZXZBBF-OAHLLOKOSA-N 2 1 261.413 2.136 20 10 CECDMP CCOc1ccc(O)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271817410 373204721 /nfs/dbraw/zinc/20/47/21/373204721.db2.gz MDPWPMBWHKMLEK-UHFFFAOYSA-N 2 1 276.380 2.142 20 10 CECDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000296253577 285397581 /nfs/dbraw/zinc/39/75/81/285397581.db2.gz BJYHTYLRPFJZGU-TZMCWYRMSA-N 2 1 283.375 2.428 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228671424 394476582 /nfs/dbraw/zinc/47/65/82/394476582.db2.gz IVZQNPBEIDZPOI-NSHDSACASA-N 2 1 298.814 2.486 20 10 CECDMP COc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1O ZINC000105442782 394722067 /nfs/dbraw/zinc/72/20/67/394722067.db2.gz PIDVXGMTEAFENB-LBPRGKRZSA-N 2 1 289.379 2.332 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091662377 260266466 /nfs/dbraw/zinc/26/64/66/260266466.db2.gz ZVOGOFMNQMJISF-RRFJBIMHSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091662377 260266467 /nfs/dbraw/zinc/26/64/67/260266467.db2.gz ZVOGOFMNQMJISF-RRFJBIMHSA-N 2 1 290.407 2.214 20 10 CECDMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1O ZINC000155280396 261100114 /nfs/dbraw/zinc/10/01/14/261100114.db2.gz CVAKHGFATHGFKO-MRXNPFEDSA-N 2 1 292.423 2.280 20 10 CECDMP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000234369008 623943988 /nfs/dbraw/zinc/94/39/88/623943988.db2.gz VIKPZVQNVDWXOH-UHFFFAOYSA-N 2 1 287.201 2.196 20 10 CECDMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519210 634712353 /nfs/dbraw/zinc/71/23/53/634712353.db2.gz XYWGMOCLUSVOQX-VBQJREDUSA-N 2 1 292.471 2.071 20 10 CECDMP Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036493 631961704 /nfs/dbraw/zinc/96/17/04/631961704.db2.gz OXSZYXKHBBPLOY-VIFPVBQESA-N 2 1 272.751 2.274 20 10 CECDMP COC[C@]1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CCC[NH2+]1 ZINC000817974199 633817338 /nfs/dbraw/zinc/81/73/38/633817338.db2.gz JIBZNEXUEWTQQY-XJKSGUPXSA-N 2 1 278.396 2.120 20 10 CECDMP Cc1cc(Br)c(O)c(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906510135 636760782 /nfs/dbraw/zinc/76/07/82/636760782.db2.gz NETXQHDZJZFWRY-UHFFFAOYSA-N 2 1 285.185 2.042 20 10 CECDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@H](C)C1 ZINC000841035388 639627636 /nfs/dbraw/zinc/62/76/36/639627636.db2.gz NJKNHNHOAULTKW-CZUORRHYSA-N 2 1 261.413 2.131 20 10 CECDMP Oc1ccc(F)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000841041958 639629779 /nfs/dbraw/zinc/62/97/79/639629779.db2.gz KIJIMWSTHSTORZ-UHFFFAOYSA-N 2 1 289.354 2.196 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000841051625 639633599 /nfs/dbraw/zinc/63/35/99/639633599.db2.gz SVVAYTBAEWVNOF-QDLOVBKTSA-N 2 1 259.397 2.093 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841099572 639665330 /nfs/dbraw/zinc/66/53/30/639665330.db2.gz MEQGGSQAESGADI-CZUORRHYSA-N 2 1 275.440 2.478 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000229104718 639676584 /nfs/dbraw/zinc/67/65/84/639676584.db2.gz LZNIGIMYPJFGHQ-JOYOIKCWSA-N 2 1 284.787 2.366 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000229104718 639676585 /nfs/dbraw/zinc/67/65/85/639676585.db2.gz LZNIGIMYPJFGHQ-JOYOIKCWSA-N 2 1 284.787 2.366 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c1 ZINC000843044982 640249673 /nfs/dbraw/zinc/24/96/73/640249673.db2.gz OPJPWRYAMLMMRF-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+](C)C2CC[NH2+]CC2)c1O ZINC000843045077 640250100 /nfs/dbraw/zinc/25/01/00/640250100.db2.gz HPLZNCTVOYSOEK-UHFFFAOYSA-N 2 1 284.787 2.238 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000843047839 640252937 /nfs/dbraw/zinc/25/29/37/640252937.db2.gz YKQPPXRWWXIYGR-LLCTXKFZSA-N 2 1 273.424 2.437 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052445 640256269 /nfs/dbraw/zinc/25/62/69/640256269.db2.gz UEPDNEDXDGHJQW-GXTWGEPZSA-N 2 1 279.403 2.451 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843052484 640256655 /nfs/dbraw/zinc/25/66/55/640256655.db2.gz UPLZZGXAVSBEBT-CJNGLKHVSA-N 2 1 261.413 2.230 20 10 CECDMP COc1cccc(O)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000843054655 640257531 /nfs/dbraw/zinc/25/75/31/640257531.db2.gz ZQOXEWWVJHRQPJ-UHFFFAOYSA-N 2 1 290.407 2.365 20 10 CECDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000843058499 640260961 /nfs/dbraw/zinc/26/09/61/640260961.db2.gz URQCBZFGUSWZJZ-YPMHNXCESA-N 2 1 265.376 2.061 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843113993 640285632 /nfs/dbraw/zinc/28/56/32/640285632.db2.gz FFWARKBJCWQSNK-MRXNPFEDSA-N 2 1 261.413 2.232 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843128379 640295210 /nfs/dbraw/zinc/29/52/10/640295210.db2.gz WZDUGRNAEFMYIT-ZBPSDOBBSA-N 2 1 285.435 2.450 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843128379 640295214 /nfs/dbraw/zinc/29/52/14/640295214.db2.gz WZDUGRNAEFMYIT-ZBPSDOBBSA-N 2 1 285.435 2.450 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1O ZINC000877527113 650768236 /nfs/dbraw/zinc/76/82/36/650768236.db2.gz MHTCDBCQIWZTOH-UHFFFAOYSA-N 2 1 250.386 2.474 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923414073 643702282 /nfs/dbraw/zinc/70/22/82/643702282.db2.gz ZPBKKDYMNORIRS-ZFWWWQNUSA-N 2 1 261.413 2.088 20 10 CECDMP CN(C)c1ccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000843059155 644791594 /nfs/dbraw/zinc/79/15/94/644791594.db2.gz DXAXAOCFMKFDEN-MRXNPFEDSA-N 2 1 261.413 2.184 20 10 CECDMP CCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648252 646976262 /nfs/dbraw/zinc/97/62/62/646976262.db2.gz RJRUJQOSOMIMKI-UHFFFAOYSA-N 2 1 261.413 2.280 20 10 CECDMP COc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000872725541 649469739 /nfs/dbraw/zinc/46/97/39/649469739.db2.gz UDNYXLWWAJTPSP-UKRRQHHQSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000872725541 649469745 /nfs/dbraw/zinc/46/97/45/649469745.db2.gz UDNYXLWWAJTPSP-UKRRQHHQSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000872725541 649469750 /nfs/dbraw/zinc/46/97/50/649469750.db2.gz UDNYXLWWAJTPSP-UKRRQHHQSA-N 2 1 290.407 2.235 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(Cl)c1 ZINC000873228369 649599311 /nfs/dbraw/zinc/59/93/11/649599311.db2.gz DIAHXFWXQJXJMX-XHDPSFHLSA-N 2 1 280.799 2.395 20 10 CECDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117785 807706419 /nfs/dbraw/zinc/70/64/19/807706419.db2.gz VMSQJCQPUKRJSR-AWEZNQCLSA-N 2 1 277.412 2.074 20 10 CECDMP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205124521 807722673 /nfs/dbraw/zinc/72/26/73/807722673.db2.gz UAXZVPLILHJENN-LBPRGKRZSA-N 2 1 264.369 2.022 20 10 CECDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000700787820 809348684 /nfs/dbraw/zinc/34/86/84/809348684.db2.gz NSHYAQPZHATIFH-LBPRGKRZSA-N 2 1 266.360 2.353 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001172112962 815300184 /nfs/dbraw/zinc/30/01/84/815300184.db2.gz BDEDRNRWFONLRP-BTTYYORXSA-N 2 1 276.380 2.203 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709827331 809972049 /nfs/dbraw/zinc/97/20/49/809972049.db2.gz JUVUGYGSDQHRQL-INIZCTEOSA-N 2 1 260.381 2.276 20 10 CECDMP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381332405 810329752 /nfs/dbraw/zinc/32/97/52/810329752.db2.gz BTZNKBSPVGNBTI-GWCFXTLKSA-N 2 1 266.772 2.229 20 10 CECDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381332405 810329758 /nfs/dbraw/zinc/32/97/58/810329758.db2.gz BTZNKBSPVGNBTI-GWCFXTLKSA-N 2 1 266.772 2.229 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CF)cc2)CC1 ZINC001139411602 816019536 /nfs/dbraw/zinc/01/95/36/816019536.db2.gz UZNUBDIWZGIWHX-QGZVFWFLSA-N 2 1 291.414 2.372 20 10 CECDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140060081 816181499 /nfs/dbraw/zinc/18/14/99/816181499.db2.gz KCDVARUWCOPKPI-KBPBESRZSA-N 2 1 278.371 2.305 20 10 CECDMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001206305440 816580210 /nfs/dbraw/zinc/58/02/10/816580210.db2.gz ZLFQJHMVVJPZQB-OAHLLOKOSA-N 2 1 266.360 2.482 20 10 CECDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001206305440 816580214 /nfs/dbraw/zinc/58/02/14/816580214.db2.gz ZLFQJHMVVJPZQB-OAHLLOKOSA-N 2 1 266.360 2.482 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c1O ZINC000272625514 373587855 /nfs/dbraw/zinc/58/78/55/373587855.db2.gz MKGITCYIMNWNSH-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2O)C1 ZINC000290565329 328259423 /nfs/dbraw/zinc/25/94/23/328259423.db2.gz SQNQZWXDSZRNDV-UKRRQHHQSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2O)C1 ZINC000290565329 328259424 /nfs/dbraw/zinc/25/94/24/328259424.db2.gz SQNQZWXDSZRNDV-UKRRQHHQSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2O)C1 ZINC000290565329 328259425 /nfs/dbraw/zinc/25/94/25/328259425.db2.gz SQNQZWXDSZRNDV-UKRRQHHQSA-N 2 1 260.381 2.308 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277289804 524739663 /nfs/dbraw/zinc/73/96/63/524739663.db2.gz AOEQITXWHDQBDS-CQSZACIVSA-N 2 1 278.396 2.317 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290364735 525338346 /nfs/dbraw/zinc/33/83/46/525338346.db2.gz HBPSFSKQBPYTCX-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290364735 525338357 /nfs/dbraw/zinc/33/83/57/525338357.db2.gz HBPSFSKQBPYTCX-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290364735 525338366 /nfs/dbraw/zinc/33/83/66/525338366.db2.gz HBPSFSKQBPYTCX-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290364735 525338374 /nfs/dbraw/zinc/33/83/74/525338374.db2.gz HBPSFSKQBPYTCX-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290466437 525916001 /nfs/dbraw/zinc/91/60/01/525916001.db2.gz NGVPPFVBGGCZOK-OCCSQVGLSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290466437 525916008 /nfs/dbraw/zinc/91/60/08/525916008.db2.gz NGVPPFVBGGCZOK-OCCSQVGLSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000290466437 525916014 /nfs/dbraw/zinc/91/60/14/525916014.db2.gz NGVPPFVBGGCZOK-OCCSQVGLSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000290466437 525916021 /nfs/dbraw/zinc/91/60/21/525916021.db2.gz NGVPPFVBGGCZOK-OCCSQVGLSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290466430 525917425 /nfs/dbraw/zinc/91/74/25/525917425.db2.gz NGVPPFVBGGCZOK-GXTWGEPZSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290466430 525917434 /nfs/dbraw/zinc/91/74/34/525917434.db2.gz NGVPPFVBGGCZOK-GXTWGEPZSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000290466430 525917445 /nfs/dbraw/zinc/91/74/45/525917445.db2.gz NGVPPFVBGGCZOK-GXTWGEPZSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000290466430 525917456 /nfs/dbraw/zinc/91/74/56/525917456.db2.gz NGVPPFVBGGCZOK-GXTWGEPZSA-N 2 1 278.396 2.173 20 10 CECDMP Oc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000310955065 629747679 /nfs/dbraw/zinc/74/76/79/629747679.db2.gz CDUMKFPTZWIQRN-AWEZNQCLSA-N 2 1 266.772 2.231 20 10 CECDMP Oc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000310955065 629747680 /nfs/dbraw/zinc/74/76/80/629747680.db2.gz CDUMKFPTZWIQRN-AWEZNQCLSA-N 2 1 266.772 2.231 20 10 CECDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163436876 631575200 /nfs/dbraw/zinc/57/52/00/631575200.db2.gz YVVYBSYCBBGLND-ZFWWWQNUSA-N 2 1 261.413 2.169 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC000841061608 632363749 /nfs/dbraw/zinc/36/37/49/632363749.db2.gz LNLHBYBOGBKJGO-ZJUUUORDSA-N 2 1 254.761 2.276 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000817959149 633800499 /nfs/dbraw/zinc/80/04/99/633800499.db2.gz PTWPTJPZAROCHO-VXGBXAGGSA-N 2 1 266.385 2.425 20 10 CECDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980728 633822840 /nfs/dbraw/zinc/82/28/40/633822840.db2.gz WQAGZPJWMHTIJS-TZMCWYRMSA-N 2 1 295.402 2.050 20 10 CECDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000817983238 633827528 /nfs/dbraw/zinc/82/75/28/633827528.db2.gz ZXXDMVRYXLITLC-RHSMWYFYSA-N 2 1 291.439 2.172 20 10 CECDMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904386024 635608221 /nfs/dbraw/zinc/60/82/21/635608221.db2.gz NANWYOZZGLKGKP-CQSZACIVSA-N 2 1 296.361 2.346 20 10 CECDMP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000904405117 635612722 /nfs/dbraw/zinc/61/27/22/635612722.db2.gz DLNNLZDHFOCRPL-JTQLQIEISA-N 2 1 299.212 2.325 20 10 CECDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000904405117 635612727 /nfs/dbraw/zinc/61/27/27/635612727.db2.gz DLNNLZDHFOCRPL-JTQLQIEISA-N 2 1 299.212 2.325 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088527 637696649 /nfs/dbraw/zinc/69/66/49/637696649.db2.gz YWKVVVPXWFGMFB-SWLSCSKDSA-N 2 1 278.371 2.495 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000835055176 638040564 /nfs/dbraw/zinc/04/05/64/638040564.db2.gz WFFIVMFQOVURJY-PSUYNTKASA-N 2 1 285.435 2.259 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000835055176 638040567 /nfs/dbraw/zinc/04/05/67/638040567.db2.gz WFFIVMFQOVURJY-PSUYNTKASA-N 2 1 285.435 2.259 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000835055176 638040571 /nfs/dbraw/zinc/04/05/71/638040571.db2.gz WFFIVMFQOVURJY-PSUYNTKASA-N 2 1 285.435 2.259 20 10 CECDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841030667 639622578 /nfs/dbraw/zinc/62/25/78/639622578.db2.gz JXMVMGSBBGFKKZ-UHFFFAOYSA-N 2 1 267.392 2.499 20 10 CECDMP CCOCc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC ZINC000841050096 639633644 /nfs/dbraw/zinc/63/36/44/639633644.db2.gz OQTBWLFWGXCCRC-OAHLLOKOSA-N 2 1 278.396 2.059 20 10 CECDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000841073364 639643950 /nfs/dbraw/zinc/64/39/50/639643950.db2.gz WEGUVIVZCBPEKY-ZDUSSCGKSA-N 2 1 267.392 2.499 20 10 CECDMP C[C@H](CCC[NH3+])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841080044 639648407 /nfs/dbraw/zinc/64/84/07/639648407.db2.gz NFTVXPFSOJFBIQ-MRVPVSSYSA-N 2 1 260.740 2.402 20 10 CECDMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229103419 639676708 /nfs/dbraw/zinc/67/67/08/639676708.db2.gz MOVCQBHVPPTCPR-SNVBAGLBSA-N 2 1 284.787 2.096 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229103419 639676711 /nfs/dbraw/zinc/67/67/11/639676711.db2.gz MOVCQBHVPPTCPR-SNVBAGLBSA-N 2 1 284.787 2.096 20 10 CECDMP Cc1cccc(O)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000877042036 650544479 /nfs/dbraw/zinc/54/44/79/650544479.db2.gz RXBUACGGMCPPKA-HNNXBMFYSA-N 2 1 292.423 2.027 20 10 CECDMP C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052261 640256559 /nfs/dbraw/zinc/25/65/59/640256559.db2.gz RGCUOZWOCKUNFT-FZMZJTMJSA-N 2 1 265.376 2.061 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052261 640256562 /nfs/dbraw/zinc/25/65/62/640256562.db2.gz RGCUOZWOCKUNFT-FZMZJTMJSA-N 2 1 265.376 2.061 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000843053621 640256721 /nfs/dbraw/zinc/25/67/21/640256721.db2.gz OXNQUOXCSBFAHT-DOMZBBRYSA-N 2 1 278.396 2.350 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000843056615 640259017 /nfs/dbraw/zinc/25/90/17/640259017.db2.gz SQQYSDDGMNSTKO-CYBMUJFWSA-N 2 1 266.385 2.206 20 10 CECDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058675 640261552 /nfs/dbraw/zinc/26/15/52/640261552.db2.gz VSJXVTDCYSQTPM-YPMHNXCESA-N 2 1 265.376 2.061 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125439 640291568 /nfs/dbraw/zinc/29/15/68/640291568.db2.gz WNVLESYWUYWOOI-STQMWFEESA-N 2 1 278.371 2.353 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125439 640291574 /nfs/dbraw/zinc/29/15/74/640291574.db2.gz WNVLESYWUYWOOI-STQMWFEESA-N 2 1 278.371 2.353 20 10 CECDMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC000877636278 650827762 /nfs/dbraw/zinc/82/77/62/650827762.db2.gz RNZFSKORYDGXHV-INIZCTEOSA-N 2 1 290.407 2.044 20 10 CECDMP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1N(C)C ZINC000923294802 643646236 /nfs/dbraw/zinc/64/62/36/643646236.db2.gz QBJWSPNCEJLOJF-UHFFFAOYSA-N 2 1 263.429 2.478 20 10 CECDMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000854226653 644016474 /nfs/dbraw/zinc/01/64/74/644016474.db2.gz JOOFCZGMFLXSNX-VEAWUBTESA-N 2 1 259.397 2.155 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2c1c(F)ccc2O ZINC000854226027 644016658 /nfs/dbraw/zinc/01/66/58/644016658.db2.gz CSGCLXNSQWUXAX-CEHVMXRASA-N 2 1 276.355 2.421 20 10 CECDMP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877742884 650888042 /nfs/dbraw/zinc/88/80/42/650888042.db2.gz GWAAMDLFVFAYKH-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877742884 650888044 /nfs/dbraw/zinc/88/80/44/650888044.db2.gz GWAAMDLFVFAYKH-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877742884 650888047 /nfs/dbraw/zinc/88/80/47/650888047.db2.gz GWAAMDLFVFAYKH-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877743378 650888777 /nfs/dbraw/zinc/88/87/77/650888777.db2.gz KFORQDUAFFEYNF-DOTOQJQBSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877743378 650888784 /nfs/dbraw/zinc/88/87/84/650888784.db2.gz KFORQDUAFFEYNF-DOTOQJQBSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877743378 650888788 /nfs/dbraw/zinc/88/87/88/650888788.db2.gz KFORQDUAFFEYNF-DOTOQJQBSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877743378 650888791 /nfs/dbraw/zinc/88/87/91/650888791.db2.gz KFORQDUAFFEYNF-DOTOQJQBSA-N 2 1 273.424 2.279 20 10 CECDMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(O)c1 ZINC000877744384 650890827 /nfs/dbraw/zinc/89/08/27/650890827.db2.gz SIKAAYUPYBLJBJ-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(O)c1 ZINC000877744384 650890831 /nfs/dbraw/zinc/89/08/31/650890831.db2.gz SIKAAYUPYBLJBJ-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877744384 650890836 /nfs/dbraw/zinc/89/08/36/650890836.db2.gz SIKAAYUPYBLJBJ-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877744384 650890838 /nfs/dbraw/zinc/89/08/38/650890838.db2.gz SIKAAYUPYBLJBJ-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857783084 644967886 /nfs/dbraw/zinc/96/78/86/644967886.db2.gz SGOREZVYOKJJJQ-SNAWJCMRSA-N 2 1 284.407 2.332 20 10 CECDMP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)cc1C ZINC000768444723 646123696 /nfs/dbraw/zinc/12/36/96/646123696.db2.gz BQJSRIWWOBJDFB-ZDUSSCGKSA-N 2 1 278.396 2.093 20 10 CECDMP Cc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000873226991 649598294 /nfs/dbraw/zinc/59/82/94/649598294.db2.gz ARJDALFQCSUXBY-RYUDHWBXSA-N 2 1 288.313 2.270 20 10 CECDMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000883161001 652383179 /nfs/dbraw/zinc/38/31/79/652383179.db2.gz HOCSWEYPIPGSAA-MRXNPFEDSA-N 2 1 294.439 2.186 20 10 CECDMP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1N(C)C ZINC001205101728 807633344 /nfs/dbraw/zinc/63/33/44/807633344.db2.gz JZNXTZCPODIZCR-OAHLLOKOSA-N 2 1 261.413 2.374 20 10 CECDMP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708558560 809945946 /nfs/dbraw/zinc/94/59/46/809945946.db2.gz JFADNBZTVAUGGQ-UHFFFAOYSA-N 2 1 284.350 2.492 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCC[C@H]1C[NH3+] ZINC001205995791 811293379 /nfs/dbraw/zinc/29/33/79/811293379.db2.gz QLQJHTKIOMVPAW-NEPJUHHUSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCC[C@H]1C[NH3+] ZINC001205995791 811293384 /nfs/dbraw/zinc/29/33/84/811293384.db2.gz QLQJHTKIOMVPAW-NEPJUHHUSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCC[C@H]1C[NH3+] ZINC001205995791 811293391 /nfs/dbraw/zinc/29/33/91/811293391.db2.gz QLQJHTKIOMVPAW-NEPJUHHUSA-N 2 1 266.360 2.338 20 10 CECDMP COc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397429071 813617838 /nfs/dbraw/zinc/61/78/38/813617838.db2.gz ZGPBRDAQVYQUNI-SCRDCRAPSA-N 2 1 278.396 2.206 20 10 CECDMP COc1cc(C[N@H+]2CC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139256097 815997431 /nfs/dbraw/zinc/99/74/31/815997431.db2.gz SWCMGOPVJFQUDM-NSHDSACASA-N 2 1 264.369 2.057 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC001139411119 816020153 /nfs/dbraw/zinc/02/01/53/816020153.db2.gz VXVSAAMWXZAJBE-FUHWJXTLSA-N 2 1 285.435 2.423 20 10 CECDMP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001206623902 816418178 /nfs/dbraw/zinc/41/81/78/816418178.db2.gz QNLPVCZEQAZOAM-SNVBAGLBSA-N 2 1 270.323 2.231 20 10 CECDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001206623902 816418180 /nfs/dbraw/zinc/41/81/80/816418180.db2.gz QNLPVCZEQAZOAM-SNVBAGLBSA-N 2 1 270.323 2.231 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2O)C1 ZINC000180550042 368386469 /nfs/dbraw/zinc/38/64/69/368386469.db2.gz TVGIUINRMFJJTQ-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180550042 368386478 /nfs/dbraw/zinc/38/64/78/368386478.db2.gz TVGIUINRMFJJTQ-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000180550042 368386486 /nfs/dbraw/zinc/38/64/86/368386486.db2.gz TVGIUINRMFJJTQ-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Oc1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371529026 373912810 /nfs/dbraw/zinc/91/28/10/373912810.db2.gz PPKACNFRBXHLQR-VNQPRFMTSA-N 2 1 290.382 2.447 20 10 CECDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371529026 373912833 /nfs/dbraw/zinc/91/28/33/373912833.db2.gz PPKACNFRBXHLQR-VNQPRFMTSA-N 2 1 290.382 2.447 20 10 CECDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371529026 373912839 /nfs/dbraw/zinc/91/28/39/373912839.db2.gz PPKACNFRBXHLQR-VNQPRFMTSA-N 2 1 290.382 2.447 20 10 CECDMP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285929060 375845954 /nfs/dbraw/zinc/84/59/54/375845954.db2.gz FDNXTSCFLNXTFT-CQSZACIVSA-N 2 1 296.386 2.029 20 10 CECDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000375943545 395104264 /nfs/dbraw/zinc/10/42/64/395104264.db2.gz VSQNDTMWWZIMMZ-AWEZNQCLSA-N 2 1 266.360 2.447 20 10 CECDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000375943545 395104267 /nfs/dbraw/zinc/10/42/67/395104267.db2.gz VSQNDTMWWZIMMZ-AWEZNQCLSA-N 2 1 266.360 2.447 20 10 CECDMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1O ZINC000155280292 261100093 /nfs/dbraw/zinc/10/00/93/261100093.db2.gz CVAKHGFATHGFKO-INIZCTEOSA-N 2 1 292.423 2.280 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290611153 263117906 /nfs/dbraw/zinc/11/79/06/263117906.db2.gz WPKIGHQENSOUCS-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000290611153 263117907 /nfs/dbraw/zinc/11/79/07/263117907.db2.gz WPKIGHQENSOUCS-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000290611153 263117908 /nfs/dbraw/zinc/11/79/08/263117908.db2.gz WPKIGHQENSOUCS-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1O ZINC000037644035 521365182 /nfs/dbraw/zinc/36/51/82/521365182.db2.gz UYBMXJLRAOEISU-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000742375637 623422779 /nfs/dbraw/zinc/42/27/79/623422779.db2.gz SYJDIBKYHXZXSP-GXTWGEPZSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000742375637 623422785 /nfs/dbraw/zinc/42/27/85/623422785.db2.gz SYJDIBKYHXZXSP-GXTWGEPZSA-N 2 1 278.396 2.363 20 10 CECDMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843122319 631734482 /nfs/dbraw/zinc/73/44/82/631734482.db2.gz BCMBNHKKAOBEDB-INIZCTEOSA-N 2 1 260.381 2.276 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000817970445 633813093 /nfs/dbraw/zinc/81/30/93/633813093.db2.gz VQKVHVNDHREJHG-UHTWSYAYSA-N 2 1 292.379 2.099 20 10 CECDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1C[NH3+] ZINC000904410442 635616807 /nfs/dbraw/zinc/61/68/07/635616807.db2.gz DLRKRPJVPQUTQV-QWRGUYRKSA-N 2 1 268.788 2.462 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000827857250 636443043 /nfs/dbraw/zinc/44/30/43/636443043.db2.gz ZQTAUMAJVBSAOU-INIZCTEOSA-N 2 1 292.423 2.243 20 10 CECDMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000841087866 637573454 /nfs/dbraw/zinc/57/34/54/637573454.db2.gz RBUVSECGWLFREE-OAHLLOKOSA-N 2 1 260.381 2.229 20 10 CECDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044532841 639321861 /nfs/dbraw/zinc/32/18/61/639321861.db2.gz AXUOEEIGMCPPKP-HNNXBMFYSA-N 2 1 262.397 2.435 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000840941073 639594339 /nfs/dbraw/zinc/59/43/39/639594339.db2.gz QQXHXPIWFFUJQB-IYBDPMFKSA-N 2 1 273.424 2.054 20 10 CECDMP Cc1cc(N(C)C)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000840941073 639594345 /nfs/dbraw/zinc/59/43/45/639594345.db2.gz QQXHXPIWFFUJQB-IYBDPMFKSA-N 2 1 273.424 2.054 20 10 CECDMP Cc1cc(N(C)C)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000840941073 639594351 /nfs/dbraw/zinc/59/43/51/639594351.db2.gz QQXHXPIWFFUJQB-IYBDPMFKSA-N 2 1 273.424 2.054 20 10 CECDMP Cc1ccc(O)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000841043354 639630265 /nfs/dbraw/zinc/63/02/65/639630265.db2.gz VEDUKQDEIMOQOJ-UHFFFAOYSA-N 2 1 285.391 2.365 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C(F)(F)F)c1 ZINC000841079995 639648251 /nfs/dbraw/zinc/64/82/51/639648251.db2.gz MOWVUMIQVKWJTF-IMRBUKKESA-N 2 1 299.340 2.079 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000841087948 639651564 /nfs/dbraw/zinc/65/15/64/639651564.db2.gz UFTHMWKESUZEJA-MLGOLLRUSA-N 2 1 278.396 2.208 20 10 CECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000841101392 639664248 /nfs/dbraw/zinc/66/42/48/639664248.db2.gz VSBSIARERROASK-TZMCWYRMSA-N 2 1 279.403 2.308 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000843046415 640251096 /nfs/dbraw/zinc/25/10/96/640251096.db2.gz VFZILBKEXKSXLO-PLNGDYQASA-N 2 1 273.424 2.450 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125191 640292246 /nfs/dbraw/zinc/29/22/46/640292246.db2.gz NRLQZEAPUYUNBL-ZIAGYGMSSA-N 2 1 290.407 2.222 20 10 CECDMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1O ZINC000844922018 640867153 /nfs/dbraw/zinc/86/71/53/640867153.db2.gz YZUUIUNYXYPQEM-JTQLQIEISA-N 2 1 252.333 2.311 20 10 CECDMP CCOc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1O ZINC000070169571 641640240 /nfs/dbraw/zinc/64/02/40/641640240.db2.gz ADZOBZDLSFJCRC-ZDUSSCGKSA-N 2 1 278.396 2.352 20 10 CECDMP Cc1ccc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000071409451 641762837 /nfs/dbraw/zinc/76/28/37/641762837.db2.gz ITBUTJWJVXMLJN-YIONKMFJSA-N 2 1 260.381 2.415 20 10 CECDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740975 650884604 /nfs/dbraw/zinc/88/46/04/650884604.db2.gz LQCKYKDOHHGJFE-SMDDNHRTSA-N 2 1 264.344 2.057 20 10 CECDMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740975 650884608 /nfs/dbraw/zinc/88/46/08/650884608.db2.gz LQCKYKDOHHGJFE-SMDDNHRTSA-N 2 1 264.344 2.057 20 10 CECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740975 650884616 /nfs/dbraw/zinc/88/46/16/650884616.db2.gz LQCKYKDOHHGJFE-SMDDNHRTSA-N 2 1 264.344 2.057 20 10 CECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740975 650884619 /nfs/dbraw/zinc/88/46/19/650884619.db2.gz LQCKYKDOHHGJFE-SMDDNHRTSA-N 2 1 264.344 2.057 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877743382 650888599 /nfs/dbraw/zinc/88/85/99/650888599.db2.gz KFORQDUAFFEYNF-RDJZCZTQSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877743382 650888604 /nfs/dbraw/zinc/88/86/04/650888604.db2.gz KFORQDUAFFEYNF-RDJZCZTQSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877743382 650888608 /nfs/dbraw/zinc/88/86/08/650888608.db2.gz KFORQDUAFFEYNF-RDJZCZTQSA-N 2 1 273.424 2.279 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877743382 650888611 /nfs/dbraw/zinc/88/86/11/650888611.db2.gz KFORQDUAFFEYNF-RDJZCZTQSA-N 2 1 273.424 2.279 20 10 CECDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ccc2O)C1 ZINC000839183194 644182482 /nfs/dbraw/zinc/18/24/82/644182482.db2.gz UTANGRJFQSMAQC-LBPRGKRZSA-N 2 1 266.360 2.353 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)CCCn2ccnc2)c1O ZINC000754739956 644423135 /nfs/dbraw/zinc/42/31/35/644423135.db2.gz HQHOFLKBXJLBJY-UHFFFAOYSA-N 2 1 289.379 2.428 20 10 CECDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204675768 804537553 /nfs/dbraw/zinc/53/75/53/804537553.db2.gz WQMOCUIIYTXYHS-UHFFFAOYSA-N 2 1 262.397 2.485 20 10 CECDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204675768 804537558 /nfs/dbraw/zinc/53/75/58/804537558.db2.gz WQMOCUIIYTXYHS-UHFFFAOYSA-N 2 1 262.397 2.485 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205124202 807718852 /nfs/dbraw/zinc/71/88/52/807718852.db2.gz LJFGVBCGOZZSOO-CYBMUJFWSA-N 2 1 264.369 2.104 20 10 CECDMP CCc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000709481873 809962155 /nfs/dbraw/zinc/96/21/55/809962155.db2.gz HPHLGSGUNODPSC-UHFFFAOYSA-N 2 1 260.381 2.306 20 10 CECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001169090162 811382567 /nfs/dbraw/zinc/38/25/67/811382567.db2.gz HYKDXXSLSFBOJH-MUJYYYPQSA-N 2 1 272.392 2.336 20 10 CECDMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1O ZINC000397356397 813614328 /nfs/dbraw/zinc/61/43/28/813614328.db2.gz FQSAVTYNGXIMHO-BZPMIXESSA-N 2 1 278.396 2.206 20 10 CECDMP COc1cc(C[N@H+]2CC[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255599 815997270 /nfs/dbraw/zinc/99/72/70/815997270.db2.gz PLVVKDMVJMSFCV-GFCCVEGCSA-N 2 1 278.396 2.304 20 10 CECDMP C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404349 816019247 /nfs/dbraw/zinc/01/92/47/816019247.db2.gz BPAMGEWQYGOVGX-GDBMZVCRSA-N 2 1 291.414 2.371 20 10 CECDMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)c1 ZINC001206295082 816526970 /nfs/dbraw/zinc/52/69/70/816526970.db2.gz KZQUVUBZZNVXAY-MRXNPFEDSA-N 2 1 278.396 2.352 20 10 CECDMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001206304791 816568878 /nfs/dbraw/zinc/56/88/78/816568878.db2.gz PRSQXWISZCZCLA-HNNXBMFYSA-N 2 1 266.360 2.482 20 10 CECDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001206304791 816568882 /nfs/dbraw/zinc/56/88/82/816568882.db2.gz PRSQXWISZCZCLA-HNNXBMFYSA-N 2 1 266.360 2.482 20 10 CECDMP C[N@@H+]1C[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@H]2C1 ZINC000194540716 370049257 /nfs/dbraw/zinc/04/92/57/370049257.db2.gz DKEGAUFDSMYBCX-AOOOYVTPSA-N 2 1 284.762 2.178 20 10 CECDMP C[N@H+]1C[C@H]2CN(Cc3c(O)ccc(Cl)c3F)C[C@H]2C1 ZINC000194540716 370049264 /nfs/dbraw/zinc/04/92/64/370049264.db2.gz DKEGAUFDSMYBCX-AOOOYVTPSA-N 2 1 284.762 2.178 20 10 CECDMP C[N@@H+]1C[C@H]2CN(Cc3c(O)ccc(Cl)c3F)C[C@H]2C1 ZINC000194540716 370049270 /nfs/dbraw/zinc/04/92/70/370049270.db2.gz DKEGAUFDSMYBCX-AOOOYVTPSA-N 2 1 284.762 2.178 20 10 CECDMP CN(C)c1ccc(C2=CC[N@@H+](Cc3cncn3C)C2)cc1 ZINC000361103368 394816288 /nfs/dbraw/zinc/81/62/88/394816288.db2.gz HKEWJOFZPKYWAH-UHFFFAOYSA-N 2 1 282.391 2.385 20 10 CECDMP CN(C)c1ccc(C2=CCN(Cc3cncn3C)C2)cc1 ZINC000361103368 394816291 /nfs/dbraw/zinc/81/62/91/394816291.db2.gz HKEWJOFZPKYWAH-UHFFFAOYSA-N 2 1 282.391 2.385 20 10 CECDMP COc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1O ZINC000127750396 525933256 /nfs/dbraw/zinc/93/32/56/525933256.db2.gz BWHKCXTUEHXASV-UHFFFAOYSA-N 2 1 290.407 2.461 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000090720249 623544082 /nfs/dbraw/zinc/54/40/82/623544082.db2.gz FNDIGJYMDPSVHM-IUODEOHRSA-N 2 1 260.381 2.194 20 10 CECDMP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000894313003 629343689 /nfs/dbraw/zinc/34/36/89/629343689.db2.gz QCUGOQAKEVVCED-TZMCWYRMSA-N 2 1 278.396 2.282 20 10 CECDMP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000894313003 629343695 /nfs/dbraw/zinc/34/36/95/629343695.db2.gz QCUGOQAKEVVCED-TZMCWYRMSA-N 2 1 278.396 2.282 20 10 CECDMP COc1cc(C)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000894783024 629640589 /nfs/dbraw/zinc/64/05/89/629640589.db2.gz PGQHMPMGMBHOGV-HIFRSBDPSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000894783024 629640594 /nfs/dbraw/zinc/64/05/94/629640594.db2.gz PGQHMPMGMBHOGV-HIFRSBDPSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000894783024 629640596 /nfs/dbraw/zinc/64/05/96/629640596.db2.gz PGQHMPMGMBHOGV-HIFRSBDPSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000894783024 629640601 /nfs/dbraw/zinc/64/06/01/629640601.db2.gz PGQHMPMGMBHOGV-HIFRSBDPSA-N 2 1 292.423 2.481 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CF)C3)cc2)CC1 ZINC000895571955 630252772 /nfs/dbraw/zinc/25/27/72/630252772.db2.gz CQGYZFIJYQFGRZ-INIZCTEOSA-N 2 1 291.414 2.230 20 10 CECDMP CC[N@H+](CCC[NH+](C)C)Cc1c(O)cccc1OC ZINC000809749998 632139844 /nfs/dbraw/zinc/13/98/44/632139844.db2.gz OMZDHOKSIRQMLF-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1c(O)cccc1OC ZINC000809749998 632139846 /nfs/dbraw/zinc/13/98/46/632139846.db2.gz OMZDHOKSIRQMLF-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2c1c(F)ccc2O ZINC000817953226 633797532 /nfs/dbraw/zinc/79/75/32/633797532.db2.gz XQFBLEHEQPXQHG-FOGDFJRCSA-N 2 1 264.344 2.421 20 10 CECDMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817982289 633825107 /nfs/dbraw/zinc/82/51/07/633825107.db2.gz QXLHDEFFUUCOAF-IAGOWNOFSA-N 2 1 291.439 2.172 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(O)c1 ZINC000903977098 635394667 /nfs/dbraw/zinc/39/46/67/635394667.db2.gz IWGRCLCICPPMNR-CHWSQXEVSA-N 2 1 278.396 2.208 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904405772 635612574 /nfs/dbraw/zinc/61/25/74/635612574.db2.gz PJXSRYFGRXNGFS-MJSXRHKHSA-N 2 1 273.424 2.437 20 10 CECDMP CN(C)c1ccc(C[NH2+]CC2([NH3+])CC2)c(C(F)(F)F)c1 ZINC000904445622 635639008 /nfs/dbraw/zinc/63/90/08/635639008.db2.gz YETRALKETAFFET-UHFFFAOYSA-N 2 1 287.329 2.352 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089346 637710044 /nfs/dbraw/zinc/71/00/44/637710044.db2.gz LSVCGJRMGSKCHG-GFCCVEGCSA-N 2 1 264.344 2.296 20 10 CECDMP Cc1cc(O)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000840921213 639586614 /nfs/dbraw/zinc/58/66/14/639586614.db2.gz WETPAANLQGEIET-GHMZBOCLSA-N 2 1 266.772 2.005 20 10 CECDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841035391 639627749 /nfs/dbraw/zinc/62/77/49/639627749.db2.gz NJKNHNHOAULTKW-XJKSGUPXSA-N 2 1 261.413 2.131 20 10 CECDMP Oc1c(F)cccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841072408 639643765 /nfs/dbraw/zinc/64/37/65/639643765.db2.gz JNUYVZLIYQJFOD-GFCCVEGCSA-N 2 1 252.333 2.153 20 10 CECDMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c(O)c1 ZINC000841086688 639651660 /nfs/dbraw/zinc/65/16/60/639651660.db2.gz CUFSXZBOWUONCP-CQSZACIVSA-N 2 1 266.385 2.254 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c1 ZINC000843044981 640249312 /nfs/dbraw/zinc/24/93/12/640249312.db2.gz OPJPWRYAMLMMRF-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP COc1cccc(O)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047340 640252580 /nfs/dbraw/zinc/25/25/80/640252580.db2.gz RJENIDAHUGYZLX-FUNVUKJBSA-N 2 1 276.380 2.116 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047340 640252585 /nfs/dbraw/zinc/25/25/85/640252585.db2.gz RJENIDAHUGYZLX-FUNVUKJBSA-N 2 1 276.380 2.116 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843057360 640259670 /nfs/dbraw/zinc/25/96/70/640259670.db2.gz JFMDCUYRDWUUIP-YMEQAZQUSA-N 2 1 273.424 2.435 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000848543564 642044346 /nfs/dbraw/zinc/04/43/46/642044346.db2.gz HEMUNGNKHVFUNW-UTCJRWHESA-N 2 1 273.424 2.451 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923388658 643693658 /nfs/dbraw/zinc/69/36/58/643693658.db2.gz SXDVCCUWVZIKTG-UHFFFAOYSA-N 2 1 291.439 2.205 20 10 CECDMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858117501 645067102 /nfs/dbraw/zinc/06/71/02/645067102.db2.gz QDSYAEBTLURTOT-UHFFFAOYSA-N 2 1 294.349 2.326 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1O ZINC000122251241 648225641 /nfs/dbraw/zinc/22/56/41/648225641.db2.gz SUISXPROUVYUGS-OCCSQVGLSA-N 2 1 278.396 2.350 20 10 CECDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128318987 651410508 /nfs/dbraw/zinc/41/05/08/651410508.db2.gz MMEXEYRPWQUEHA-JTQLQIEISA-N 2 1 254.761 2.216 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000131431959 652425071 /nfs/dbraw/zinc/42/50/71/652425071.db2.gz LDKVJQVRXNNYJJ-AAEUAGOBSA-N 2 1 264.369 2.103 20 10 CECDMP COc1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1O ZINC000133338570 652621443 /nfs/dbraw/zinc/62/14/43/652621443.db2.gz MUJPZSWHKQUZNB-ZDUSSCGKSA-N 2 1 266.385 2.206 20 10 CECDMP C[NH+]1CCC2(C[NH+](Cc3cc(F)c(F)cc3O)C2)CC1 ZINC001142527454 806620711 /nfs/dbraw/zinc/62/07/11/806620711.db2.gz VGBIXQMWLPJATG-UHFFFAOYSA-N 2 1 282.334 2.198 20 10 CECDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H]1C[NH3+] ZINC000708825995 803550413 /nfs/dbraw/zinc/55/04/13/803550413.db2.gz RZAOKLLCSRZLRR-VHSXEESVSA-N 2 1 299.212 2.181 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1C[NH3+] ZINC000708891569 809937606 /nfs/dbraw/zinc/93/76/06/809937606.db2.gz YUOCMBLFWYROMZ-MWLCHTKSSA-N 2 1 254.761 2.072 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641289 813376148 /nfs/dbraw/zinc/37/61/48/813376148.db2.gz CNODLFNIZNNMRS-IRXDYDNUSA-N 2 1 273.424 2.469 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641289 813376155 /nfs/dbraw/zinc/37/61/55/813376155.db2.gz CNODLFNIZNNMRS-IRXDYDNUSA-N 2 1 273.424 2.469 20 10 CECDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CC1 ZINC001139253519 815997049 /nfs/dbraw/zinc/99/70/49/815997049.db2.gz WWAMQKRPACTSLR-UHFFFAOYSA-N 2 1 278.396 2.447 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1N(C)C ZINC001139673555 816077490 /nfs/dbraw/zinc/07/74/90/816077490.db2.gz SKDVICQKWPPSMD-IYBDPMFKSA-N 2 1 273.424 2.054 20 10 CECDMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1N(C)C ZINC001139673555 816077495 /nfs/dbraw/zinc/07/74/95/816077495.db2.gz SKDVICQKWPPSMD-IYBDPMFKSA-N 2 1 273.424 2.054 20 10 CECDMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1N(C)C ZINC001139673555 816077500 /nfs/dbraw/zinc/07/75/00/816077500.db2.gz SKDVICQKWPPSMD-IYBDPMFKSA-N 2 1 273.424 2.054 20 10 CECDMP Oc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226585177 370347219 /nfs/dbraw/zinc/34/72/19/370347219.db2.gz DNUTZQRRQBOVKY-ZIAGYGMSSA-N 2 1 264.344 2.248 20 10 CECDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1O ZINC000374890902 267820916 /nfs/dbraw/zinc/82/09/16/267820916.db2.gz FEXGDYVJEXMTIW-INMHGKMJSA-N 2 1 290.407 2.076 20 10 CECDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2O)C1 ZINC000290565326 328259351 /nfs/dbraw/zinc/25/93/51/328259351.db2.gz SQNQZWXDSZRNDV-DZGCQCFKSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2O)C1 ZINC000290565326 328259353 /nfs/dbraw/zinc/25/93/53/328259353.db2.gz SQNQZWXDSZRNDV-DZGCQCFKSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2O)C1 ZINC000290565326 328259355 /nfs/dbraw/zinc/25/93/55/328259355.db2.gz SQNQZWXDSZRNDV-DZGCQCFKSA-N 2 1 260.381 2.308 20 10 CECDMP Oc1cccc2c1[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217565 333528583 /nfs/dbraw/zinc/52/85/83/333528583.db2.gz UAVNJYAOGDBZSK-JSGCOSHPSA-N 2 1 258.365 2.254 20 10 CECDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000094617082 525400943 /nfs/dbraw/zinc/40/09/43/525400943.db2.gz AQLHZAYEIVNBNK-SNVBAGLBSA-N 2 1 252.333 2.276 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1c1cc[nH+]cc1 ZINC000895558265 630248724 /nfs/dbraw/zinc/24/87/24/630248724.db2.gz UTKCJIRFPQVCRI-CQSZACIVSA-N 2 1 283.375 2.498 20 10 CECDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817901283 633761111 /nfs/dbraw/zinc/76/11/11/633761111.db2.gz AQKZOKVDZOIHIH-LSDHHAIUSA-N 2 1 260.381 2.371 20 10 CECDMP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817940166 633788475 /nfs/dbraw/zinc/78/84/75/633788475.db2.gz GLSNDXLGXMVTBO-JTQLQIEISA-N 2 1 252.333 2.182 20 10 CECDMP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817955003 633798428 /nfs/dbraw/zinc/79/84/28/633798428.db2.gz OFRHNLUFYNEXMY-GHMZBOCLSA-N 2 1 252.333 2.182 20 10 CECDMP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1O ZINC000817973368 633816715 /nfs/dbraw/zinc/81/67/15/633816715.db2.gz DSFRTBPRJLBPTI-HOCLYGCPSA-N 2 1 278.396 2.202 20 10 CECDMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000817981694 633824227 /nfs/dbraw/zinc/82/42/27/633824227.db2.gz MPTMIPQYBZEZLJ-ZIAGYGMSSA-N 2 1 260.381 2.487 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2O)C1 ZINC000876779668 650429374 /nfs/dbraw/zinc/42/93/74/650429374.db2.gz BHXWTMAAIABPJU-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876779668 650429375 /nfs/dbraw/zinc/42/93/75/650429375.db2.gz BHXWTMAAIABPJU-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876779668 650429377 /nfs/dbraw/zinc/42/93/77/650429377.db2.gz BHXWTMAAIABPJU-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000841027939 639621644 /nfs/dbraw/zinc/62/16/44/639621644.db2.gz GSPMMPFOQQDGGV-QGZUEGPWSA-N 2 1 259.397 2.093 20 10 CECDMP CCOc1cccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c1O ZINC000841038272 639628529 /nfs/dbraw/zinc/62/85/29/639628529.db2.gz IKTHNPNHKPFZAY-CYBMUJFWSA-N 2 1 266.385 2.254 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000841101724 639656534 /nfs/dbraw/zinc/65/65/34/639656534.db2.gz ZTCAASKJNFIRJK-IAQYHMDHSA-N 2 1 262.397 2.426 20 10 CECDMP C[NH2+]CCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000841104132 639676199 /nfs/dbraw/zinc/67/61/99/639676199.db2.gz OGEBCNBQVXBESP-ALCCZGGFSA-N 2 1 261.413 2.307 20 10 CECDMP C[NH2+]CCC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000841104132 639676243 /nfs/dbraw/zinc/67/62/43/639676243.db2.gz OGEBCNBQVXBESP-ALCCZGGFSA-N 2 1 261.413 2.307 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000843053622 640256430 /nfs/dbraw/zinc/25/64/30/640256430.db2.gz OXNQUOXCSBFAHT-IUODEOHRSA-N 2 1 278.396 2.350 20 10 CECDMP CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052330 640256459 /nfs/dbraw/zinc/25/64/59/640256459.db2.gz OPTXIDQXOITQHN-DZGCQCFKSA-N 2 1 279.403 2.451 20 10 CECDMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052330 640256463 /nfs/dbraw/zinc/25/64/63/640256463.db2.gz OPTXIDQXOITQHN-DZGCQCFKSA-N 2 1 279.403 2.451 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000843056616 640258774 /nfs/dbraw/zinc/25/87/74/640258774.db2.gz SQQYSDDGMNSTKO-ZDUSSCGKSA-N 2 1 266.385 2.206 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(O)c1 ZINC000843059726 640262755 /nfs/dbraw/zinc/26/27/55/640262755.db2.gz RBAODYCQKLEMRJ-RCBQFDQVSA-N 2 1 290.407 2.350 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843117284 640287269 /nfs/dbraw/zinc/28/72/69/640287269.db2.gz OEEOBPKOFLWZPO-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843123473 640290801 /nfs/dbraw/zinc/29/08/01/640290801.db2.gz JZSWGZIGMXROMT-KRWDZBQOSA-N 2 1 273.424 2.328 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000846225757 641232248 /nfs/dbraw/zinc/23/22/48/641232248.db2.gz UIAFMHOXEFACDB-HNNXBMFYSA-N 2 1 291.439 2.063 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(O)c1 ZINC000846699698 641400850 /nfs/dbraw/zinc/40/08/50/641400850.db2.gz VVZUCDTVXGHNJA-DGCLKSJQSA-N 2 1 264.369 2.103 20 10 CECDMP CCc1cccc(C[NH2+]CCC[N@@H+](C)CCOC)c1O ZINC000848892618 642174219 /nfs/dbraw/zinc/17/42/19/642174219.db2.gz CDXLBQPNEQBERA-UHFFFAOYSA-N 2 1 280.412 2.013 20 10 CECDMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923281602 643636781 /nfs/dbraw/zinc/63/67/81/643636781.db2.gz QEBBIOFLTTWMGO-HNNXBMFYSA-N 2 1 261.413 2.232 20 10 CECDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883145190 652378208 /nfs/dbraw/zinc/37/82/08/652378208.db2.gz RGNUOSABPVTUHQ-LLVKDONJSA-N 2 1 284.350 2.492 20 10 CECDMP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883145190 652378209 /nfs/dbraw/zinc/37/82/09/652378209.db2.gz RGNUOSABPVTUHQ-LLVKDONJSA-N 2 1 284.350 2.492 20 10 CECDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883145190 652378211 /nfs/dbraw/zinc/37/82/11/652378211.db2.gz RGNUOSABPVTUHQ-LLVKDONJSA-N 2 1 284.350 2.492 20 10 CECDMP C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206026833 811842980 /nfs/dbraw/zinc/84/29/80/811842980.db2.gz UCCYUGVTZYMXPT-WDEREUQCSA-N 2 1 284.350 2.477 20 10 CECDMP C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206026833 811842989 /nfs/dbraw/zinc/84/29/89/811842989.db2.gz UCCYUGVTZYMXPT-WDEREUQCSA-N 2 1 284.350 2.477 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]1C[NH3+] ZINC001205150515 807826647 /nfs/dbraw/zinc/82/66/47/807826647.db2.gz DPFBFHIDNUMIBN-GXSJLCMTSA-N 2 1 288.313 2.438 20 10 CECDMP C[N@@H+](Cc1ccccc1O)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155796 811418165 /nfs/dbraw/zinc/41/81/65/811418165.db2.gz VHXQWNPDKMTENG-FICVDOATSA-N 2 1 260.381 2.449 20 10 CECDMP C[NH+](Cc1ccccc1O)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155796 811418167 /nfs/dbraw/zinc/41/81/67/811418167.db2.gz VHXQWNPDKMTENG-FICVDOATSA-N 2 1 260.381 2.449 20 10 CECDMP C[NH+](Cc1ccccc1O)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155796 811418171 /nfs/dbraw/zinc/41/81/71/811418171.db2.gz VHXQWNPDKMTENG-FICVDOATSA-N 2 1 260.381 2.449 20 10 CECDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2O)C1 ZINC001206337333 816773127 /nfs/dbraw/zinc/77/31/27/816773127.db2.gz UBXVEPGSNXOZSL-CQSZACIVSA-N 2 1 252.333 2.045 20 10 CECDMP COc1ccc(O)c(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000271971977 373241766 /nfs/dbraw/zinc/24/17/66/373241766.db2.gz CJYLUOLFYIUMER-UHFFFAOYSA-N 2 1 275.352 2.086 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091662379 260266341 /nfs/dbraw/zinc/26/63/41/260266341.db2.gz ZVOGOFMNQMJISF-ZNMIVQPWSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000091662379 260266342 /nfs/dbraw/zinc/26/63/42/260266342.db2.gz ZVOGOFMNQMJISF-ZNMIVQPWSA-N 2 1 290.407 2.214 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295928562 276221709 /nfs/dbraw/zinc/22/17/09/276221709.db2.gz KBDRDXVWLSPIBH-TZMCWYRMSA-N 2 1 260.381 2.311 20 10 CECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)ccc1O ZINC000264996393 527420422 /nfs/dbraw/zinc/42/04/22/527420422.db2.gz YLTPBJBQFSVVKY-UHFFFAOYSA-N 2 1 259.353 2.385 20 10 CECDMP COc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000725845540 625742028 /nfs/dbraw/zinc/74/20/28/625742028.db2.gz CRPLCPVOTZMWTN-QWHCGFSZSA-N 2 1 276.380 2.117 20 10 CECDMP COc1cccc(O)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000725845540 625742036 /nfs/dbraw/zinc/74/20/36/625742036.db2.gz CRPLCPVOTZMWTN-QWHCGFSZSA-N 2 1 276.380 2.117 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC[N@@H+]1C ZINC000312064492 628089816 /nfs/dbraw/zinc/08/98/16/628089816.db2.gz DXMDSHBESRGEOI-KWCYVHTRSA-N 2 1 260.381 2.452 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC[N@H+]1C ZINC000312064492 628089820 /nfs/dbraw/zinc/08/98/20/628089820.db2.gz DXMDSHBESRGEOI-KWCYVHTRSA-N 2 1 260.381 2.452 20 10 CECDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897883 633759569 /nfs/dbraw/zinc/75/95/69/633759569.db2.gz CXUXBGIUCJHDMD-HOTGVXAUSA-N 2 1 259.397 2.256 20 10 CECDMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1O ZINC000817971899 633815204 /nfs/dbraw/zinc/81/52/04/633815204.db2.gz QZHGFDAELJUULV-CKYFFXLPSA-N 2 1 252.333 2.322 20 10 CECDMP COC[C@]1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCC[NH2+]1 ZINC000817974470 633818622 /nfs/dbraw/zinc/81/86/22/633818622.db2.gz MMWJLMHATRSFCC-RHSMWYFYSA-N 2 1 292.423 2.428 20 10 CECDMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1O ZINC000817981272 633824150 /nfs/dbraw/zinc/82/41/50/633824150.db2.gz IIAJVUFNKRPNBL-HOSYDEDBSA-N 2 1 252.333 2.309 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000818431946 633920806 /nfs/dbraw/zinc/92/08/06/633920806.db2.gz XIGZWOFDGFGETL-ZIAGYGMSSA-N 2 1 265.376 2.251 20 10 CECDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904354375 635587016 /nfs/dbraw/zinc/58/70/16/635587016.db2.gz WSAQFOWDHHGATQ-HNNXBMFYSA-N 2 1 262.397 2.475 20 10 CECDMP Cc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827856435 636443001 /nfs/dbraw/zinc/44/30/01/636443001.db2.gz PHFJDFRODIALSM-INIZCTEOSA-N 2 1 292.423 2.243 20 10 CECDMP CCOCc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC ZINC000841028822 639621543 /nfs/dbraw/zinc/62/15/43/639621543.db2.gz ICYBSSVMDQSNFP-OAHLLOKOSA-N 2 1 280.412 2.305 20 10 CECDMP CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1F ZINC000841077039 639646870 /nfs/dbraw/zinc/64/68/70/639646870.db2.gz XBRVJCXYOSSZTQ-RYUDHWBXSA-N 2 1 267.392 2.497 20 10 CECDMP Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(O)c1 ZINC000877041943 650544121 /nfs/dbraw/zinc/54/41/21/650544121.db2.gz PLIGVHCAFHTXRT-INIZCTEOSA-N 2 1 292.423 2.027 20 10 CECDMP CCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c(O)c1 ZINC000843056103 640258589 /nfs/dbraw/zinc/25/85/89/640258589.db2.gz ZGRRJJPUUGNFEI-UHFFFAOYSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(O)c1 ZINC000843059724 640262706 /nfs/dbraw/zinc/26/27/06/640262706.db2.gz RBAODYCQKLEMRJ-APHBMKBZSA-N 2 1 290.407 2.350 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125436 640292443 /nfs/dbraw/zinc/29/24/43/640292443.db2.gz WNVLESYWUYWOOI-CHWSQXEVSA-N 2 1 278.371 2.353 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125436 640292447 /nfs/dbraw/zinc/29/24/47/640292447.db2.gz WNVLESYWUYWOOI-CHWSQXEVSA-N 2 1 278.371 2.353 20 10 CECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000844901452 640859975 /nfs/dbraw/zinc/85/99/75/640859975.db2.gz FMAFIBLZPQYUFG-UXLLHSPISA-N 2 1 290.407 2.111 20 10 CECDMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000108098110 642225963 /nfs/dbraw/zinc/22/59/63/642225963.db2.gz RUIHHLKIMKYEFW-HZPDHXFCSA-N 2 1 272.392 2.338 20 10 CECDMP COCC[N@H+](Cc1ccccc1O)CC1CC[NH+](C)CC1 ZINC000877665002 650840669 /nfs/dbraw/zinc/84/06/69/650840669.db2.gz BTKVIXZUIXTKPN-UHFFFAOYSA-N 2 1 292.423 2.182 20 10 CECDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877736933 650878164 /nfs/dbraw/zinc/87/81/64/650878164.db2.gz CAGOOHVXLXSCCA-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(O)c1 ZINC000877736933 650878167 /nfs/dbraw/zinc/87/81/67/650878167.db2.gz CAGOOHVXLXSCCA-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(O)c1 ZINC000877736933 650878170 /nfs/dbraw/zinc/87/81/70/650878170.db2.gz CAGOOHVXLXSCCA-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740974 650883585 /nfs/dbraw/zinc/88/35/85/650883585.db2.gz LQCKYKDOHHGJFE-RISCZKNCSA-N 2 1 264.344 2.057 20 10 CECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740974 650883588 /nfs/dbraw/zinc/88/35/88/650883588.db2.gz LQCKYKDOHHGJFE-RISCZKNCSA-N 2 1 264.344 2.057 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740974 650883598 /nfs/dbraw/zinc/88/35/98/650883598.db2.gz LQCKYKDOHHGJFE-RISCZKNCSA-N 2 1 264.344 2.057 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740974 650883603 /nfs/dbraw/zinc/88/36/03/650883603.db2.gz LQCKYKDOHHGJFE-RISCZKNCSA-N 2 1 264.344 2.057 20 10 CECDMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000381742121 810866056 /nfs/dbraw/zinc/86/60/56/810866056.db2.gz PIOZBCPDFONMRL-GXTWGEPZSA-N 2 1 260.381 2.311 20 10 CECDMP CC(C)[N@@H+](Cc1c(O)cc(O)cc1O)C1CCN(C)CC1 ZINC001144516225 814099696 /nfs/dbraw/zinc/09/96/96/814099696.db2.gz UKPAKJSVPZZKSS-UHFFFAOYSA-N 2 1 294.395 2.108 20 10 CECDMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138129517 815734091 /nfs/dbraw/zinc/73/40/91/815734091.db2.gz IFEWZAVWWFFSGU-UHFFFAOYSA-N 2 1 264.344 2.059 20 10 CECDMP C[NH+]1CCC2(C[NH+](Cc3cccc(F)c3O)C2)CC1 ZINC001138129606 815734309 /nfs/dbraw/zinc/73/43/09/815734309.db2.gz MPOHCLIXJZDVQD-UHFFFAOYSA-N 2 1 264.344 2.059 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206201231 815740150 /nfs/dbraw/zinc/74/01/50/815740150.db2.gz WLIBFGDWOWVUDX-KBPBESRZSA-N 2 1 282.359 2.052 20 10 CECDMP Cc1c(O)ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1O ZINC001140742208 816338196 /nfs/dbraw/zinc/33/81/96/816338196.db2.gz KBROFOXBUAGBLO-UHFFFAOYSA-N 2 1 290.407 2.466 20 10 CECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140953577 816424135 /nfs/dbraw/zinc/42/41/35/816424135.db2.gz CFGLWNWTLZQMLL-IYBDPMFKSA-N 2 1 274.408 2.474 20 10 CECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140953577 816424137 /nfs/dbraw/zinc/42/41/37/816424137.db2.gz CFGLWNWTLZQMLL-IYBDPMFKSA-N 2 1 274.408 2.474 20 10 CECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140953577 816424141 /nfs/dbraw/zinc/42/41/41/816424141.db2.gz CFGLWNWTLZQMLL-IYBDPMFKSA-N 2 1 274.408 2.474 20 10 CECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140954102 816424277 /nfs/dbraw/zinc/42/42/77/816424277.db2.gz LPRRWIAOVJWDCO-GASCZTMLSA-N 2 1 260.381 2.084 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140954102 816424279 /nfs/dbraw/zinc/42/42/79/816424279.db2.gz LPRRWIAOVJWDCO-GASCZTMLSA-N 2 1 260.381 2.084 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140954102 816424280 /nfs/dbraw/zinc/42/42/80/816424280.db2.gz LPRRWIAOVJWDCO-GASCZTMLSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(F)ccc1O ZINC000272395203 373462746 /nfs/dbraw/zinc/46/27/46/373462746.db2.gz JJACYNUYMHXTMM-UHFFFAOYSA-N 2 1 263.316 2.216 20 10 CECDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1O ZINC000105442921 394722009 /nfs/dbraw/zinc/72/20/09/394722009.db2.gz BVLHDPZTYGPMNQ-GFCCVEGCSA-N 2 1 259.353 2.323 20 10 CECDMP COc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000293755514 395251035 /nfs/dbraw/zinc/25/10/35/395251035.db2.gz XFDQALNCKWZELT-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293755514 395251039 /nfs/dbraw/zinc/25/10/39/395251039.db2.gz XFDQALNCKWZELT-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293755514 395251045 /nfs/dbraw/zinc/25/10/45/395251045.db2.gz XFDQALNCKWZELT-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000037363293 260095118 /nfs/dbraw/zinc/09/51/18/260095118.db2.gz WRNHFEGCICMEFG-JKSUJKDBSA-N 2 1 272.392 2.338 20 10 CECDMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000037363293 260095119 /nfs/dbraw/zinc/09/51/19/260095119.db2.gz WRNHFEGCICMEFG-JKSUJKDBSA-N 2 1 272.392 2.338 20 10 CECDMP Cc1ccc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277826154 525350865 /nfs/dbraw/zinc/35/08/65/525350865.db2.gz LIRYZKZZQSDRAF-OAHLLOKOSA-N 2 1 292.423 2.291 20 10 CECDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738226180 574854528 /nfs/dbraw/zinc/85/45/28/574854528.db2.gz VQIOMWRMZWBPAK-ZDUSSCGKSA-N 2 1 274.408 2.264 20 10 CECDMP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c1O ZINC000040592626 623718408 /nfs/dbraw/zinc/71/84/08/623718408.db2.gz FQWKBZRWVNTQOB-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000817959147 633801278 /nfs/dbraw/zinc/80/12/78/633801278.db2.gz PTWPTJPZAROCHO-NWDGAFQWSA-N 2 1 266.385 2.425 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000817984127 633826541 /nfs/dbraw/zinc/82/65/41/633826541.db2.gz NQIRRRJKZGPKPT-NWDGAFQWSA-N 2 1 264.369 2.194 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000841085628 637368056 /nfs/dbraw/zinc/36/80/56/637368056.db2.gz AACMKWOTOASZAK-OAHLLOKOSA-N 2 1 278.396 2.398 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841085704 637394003 /nfs/dbraw/zinc/39/40/03/637394003.db2.gz BCCSQKGMBLNCIT-CJNGLKHVSA-N 2 1 290.407 2.365 20 10 CECDMP COc1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1O ZINC000835061000 638044929 /nfs/dbraw/zinc/04/49/29/638044929.db2.gz FGJBZGRRCPSFSG-UHFFFAOYSA-N 2 1 278.396 2.365 20 10 CECDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000044532843 639321894 /nfs/dbraw/zinc/32/18/94/639321894.db2.gz AXUOEEIGMCPPKP-OAHLLOKOSA-N 2 1 262.397 2.435 20 10 CECDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876940377 650497000 /nfs/dbraw/zinc/49/70/00/650497000.db2.gz SFBCEJXPTXVOBU-LSDHHAIUSA-N 2 1 260.381 2.417 20 10 CECDMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000841039702 639630038 /nfs/dbraw/zinc/63/00/38/639630038.db2.gz ZXDIUTBOHDJBCK-UHFFFAOYSA-N 2 1 260.381 2.373 20 10 CECDMP CCOCc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OC ZINC000841050441 639633485 /nfs/dbraw/zinc/63/34/85/639633485.db2.gz FOYIQUUTELHPFL-UHFFFAOYSA-N 2 1 278.396 2.203 20 10 CECDMP [NH3+]C[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000841087495 639651643 /nfs/dbraw/zinc/65/16/43/639651643.db2.gz QJZNRKOSDLMXGY-CYBMUJFWSA-N 2 1 252.333 2.138 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000841086011 639652156 /nfs/dbraw/zinc/65/21/56/639652156.db2.gz FORZJTXALUHKMS-INIZCTEOSA-N 2 1 261.413 2.360 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000841100810 639659513 /nfs/dbraw/zinc/65/95/13/639659513.db2.gz KPQKJDHVXKXCBT-GXTWGEPZSA-N 2 1 278.396 2.208 20 10 CECDMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191472 639837983 /nfs/dbraw/zinc/83/79/83/639837983.db2.gz SRSSVXUOTVFAAC-XJKSGUPXSA-N 2 1 261.413 2.454 20 10 CECDMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191472 639837987 /nfs/dbraw/zinc/83/79/87/639837987.db2.gz SRSSVXUOTVFAAC-XJKSGUPXSA-N 2 1 261.413 2.454 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c(O)c1 ZINC000843044596 640250221 /nfs/dbraw/zinc/25/02/21/640250221.db2.gz KXFPNVPMRWPIMZ-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048309 640252807 /nfs/dbraw/zinc/25/28/07/640252807.db2.gz IPRHULVVUQSORL-BWPKMQGJSA-N 2 1 259.397 2.046 20 10 CECDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000843058700 640261240 /nfs/dbraw/zinc/26/12/40/640261240.db2.gz WHAMBXSFODACND-RCELQXLSSA-N 2 1 273.424 2.435 20 10 CECDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058672 640261440 /nfs/dbraw/zinc/26/14/40/640261440.db2.gz VSJXVTDCYSQTPM-AAEUAGOBSA-N 2 1 265.376 2.061 20 10 CECDMP CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)CC ZINC000846894214 641472698 /nfs/dbraw/zinc/47/26/98/641472698.db2.gz UPDVROMOCOAASM-MRXNPFEDSA-N 2 1 294.439 2.307 20 10 CECDMP CCCC[N@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)CC ZINC000846894214 641472701 /nfs/dbraw/zinc/47/27/01/641472701.db2.gz UPDVROMOCOAASM-MRXNPFEDSA-N 2 1 294.439 2.307 20 10 CECDMP CCCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@H+](C)CC ZINC000846894214 641472705 /nfs/dbraw/zinc/47/27/05/641472705.db2.gz UPDVROMOCOAASM-MRXNPFEDSA-N 2 1 294.439 2.307 20 10 CECDMP CCCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@@H+](C)CC ZINC000846894214 641472711 /nfs/dbraw/zinc/47/27/11/641472711.db2.gz UPDVROMOCOAASM-MRXNPFEDSA-N 2 1 294.439 2.307 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1N(C)C ZINC000923356839 643679302 /nfs/dbraw/zinc/67/93/02/643679302.db2.gz VBOYIOGMZJXBEH-MRXNPFEDSA-N 2 1 261.413 2.232 20 10 CECDMP CCOc1ccc(O)c(CN(C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000877705970 650861970 /nfs/dbraw/zinc/86/19/70/650861970.db2.gz BZVUEUPNGPGJAD-MRXNPFEDSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857226300 644858815 /nfs/dbraw/zinc/85/88/15/644858815.db2.gz KISNRORGNISBMM-BBRMVZONSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857226300 644858818 /nfs/dbraw/zinc/85/88/18/644858818.db2.gz KISNRORGNISBMM-BBRMVZONSA-N 2 1 276.380 2.104 20 10 CECDMP COc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858137162 645071224 /nfs/dbraw/zinc/07/12/24/645071224.db2.gz HXMJMCUWKAFDPJ-CYBMUJFWSA-N 2 1 278.396 2.363 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770395465 646387468 /nfs/dbraw/zinc/38/74/68/646387468.db2.gz RJJYZYDBFUNZMT-GASCZTMLSA-N 2 1 291.414 2.323 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770395465 646387472 /nfs/dbraw/zinc/38/74/72/646387472.db2.gz RJJYZYDBFUNZMT-GASCZTMLSA-N 2 1 291.414 2.323 20 10 CECDMP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000862367503 646418241 /nfs/dbraw/zinc/41/82/41/646418241.db2.gz KXKGNLAZHGTMKT-ZDUSSCGKSA-N 2 1 278.396 2.363 20 10 CECDMP C[N@H+]1CC[C@H]2C[NH+](Cc3c(O)ccc4ccncc43)CC[C@H]21 ZINC000872726682 649470306 /nfs/dbraw/zinc/47/03/06/649470306.db2.gz UIFRBMPCNYGTBR-WMLDXEAASA-N 2 1 297.402 2.466 20 10 CECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CC[C@H]21 ZINC000872726682 649470310 /nfs/dbraw/zinc/47/03/10/649470310.db2.gz UIFRBMPCNYGTBR-WMLDXEAASA-N 2 1 297.402 2.466 20 10 CECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)CC[C@H]21 ZINC000872726682 649470315 /nfs/dbraw/zinc/47/03/15/649470315.db2.gz UIFRBMPCNYGTBR-WMLDXEAASA-N 2 1 297.402 2.466 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130618563 652296298 /nfs/dbraw/zinc/29/62/98/652296298.db2.gz NLZNUUCMCVIGPL-UAGQMJEPSA-N 2 1 273.424 2.312 20 10 CECDMP CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236900042 808183328 /nfs/dbraw/zinc/18/33/28/808183328.db2.gz OFTPBFRESWEVKL-LBPRGKRZSA-N 2 1 265.401 2.017 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(O)c1 ZINC001236900042 808183332 /nfs/dbraw/zinc/18/33/32/808183332.db2.gz OFTPBFRESWEVKL-LBPRGKRZSA-N 2 1 265.401 2.017 20 10 CECDMP CN1CCCc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc21 ZINC001206163352 815348885 /nfs/dbraw/zinc/34/88/85/815348885.db2.gz BUPFADBAAHPETF-CVEARBPZSA-N 2 1 291.414 2.330 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000723890126 811032257 /nfs/dbraw/zinc/03/22/57/811032257.db2.gz BVNGPUXVJRDPBB-GHMZBOCLSA-N 2 1 298.814 2.471 20 10 CECDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1O ZINC000226583981 370347174 /nfs/dbraw/zinc/34/71/74/370347174.db2.gz NBFTWKDMRRJNIM-UHFFFAOYSA-N 2 1 254.349 2.351 20 10 CECDMP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000217915635 394456301 /nfs/dbraw/zinc/45/63/01/394456301.db2.gz ZRYRIZJAVFJRRV-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000217915635 394456302 /nfs/dbraw/zinc/45/63/02/394456302.db2.gz ZRYRIZJAVFJRRV-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000217915635 394456307 /nfs/dbraw/zinc/45/63/07/394456307.db2.gz ZRYRIZJAVFJRRV-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000093644613 394668437 /nfs/dbraw/zinc/66/84/37/394668437.db2.gz OMZBXQHDPSCQRE-TZMCWYRMSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000093644613 394668438 /nfs/dbraw/zinc/66/84/38/394668438.db2.gz OMZBXQHDPSCQRE-TZMCWYRMSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000093644613 394668442 /nfs/dbraw/zinc/66/84/42/394668442.db2.gz OMZBXQHDPSCQRE-TZMCWYRMSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000093644613 394668445 /nfs/dbraw/zinc/66/84/45/394668445.db2.gz OMZBXQHDPSCQRE-TZMCWYRMSA-N 2 1 278.396 2.315 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185009021 262037744 /nfs/dbraw/zinc/03/77/44/262037744.db2.gz WWUSOPNHQVWSOJ-GFCCVEGCSA-N 2 1 284.375 2.150 20 10 CECDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)ccc1O ZINC000290599285 263117621 /nfs/dbraw/zinc/11/76/21/263117621.db2.gz VUXCMXPXPHQSAF-SMDDNHRTSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)ccc1O ZINC000290599285 263117622 /nfs/dbraw/zinc/11/76/22/263117622.db2.gz VUXCMXPXPHQSAF-SMDDNHRTSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)ccc1O ZINC000290599285 263117623 /nfs/dbraw/zinc/11/76/23/263117623.db2.gz VUXCMXPXPHQSAF-SMDDNHRTSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)ccc1O ZINC000290599285 263117624 /nfs/dbraw/zinc/11/76/24/263117624.db2.gz VUXCMXPXPHQSAF-SMDDNHRTSA-N 2 1 266.360 2.303 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000292781230 521343343 /nfs/dbraw/zinc/34/33/43/521343343.db2.gz LKSCHSQOEVRPJK-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000292781230 521343350 /nfs/dbraw/zinc/34/33/50/521343350.db2.gz LKSCHSQOEVRPJK-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292781230 521343358 /nfs/dbraw/zinc/34/33/58/521343358.db2.gz LKSCHSQOEVRPJK-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000037649324 521366182 /nfs/dbraw/zinc/36/61/82/521366182.db2.gz OCMRKSZEMBIPKD-CYBMUJFWSA-N 2 1 290.407 2.365 20 10 CECDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000742207349 574841602 /nfs/dbraw/zinc/84/16/02/574841602.db2.gz WPUDHHITGLHZAQ-UHFFFAOYSA-N 2 1 265.376 2.076 20 10 CECDMP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000090721532 623544166 /nfs/dbraw/zinc/54/41/66/623544166.db2.gz VWYUFMJQRUEVLT-OCCSQVGLSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000090721532 623544169 /nfs/dbraw/zinc/54/41/69/623544169.db2.gz VWYUFMJQRUEVLT-OCCSQVGLSA-N 2 1 278.396 2.363 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1CC[NH3+] ZINC000903977562 635395108 /nfs/dbraw/zinc/39/51/08/635395108.db2.gz UIWZAXPNVHIBQC-TZMCWYRMSA-N 2 1 279.403 2.308 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000163425693 631565293 /nfs/dbraw/zinc/56/52/93/631565293.db2.gz ITNQKEFDCZLQGI-TZMCWYRMSA-N 2 1 278.396 2.208 20 10 CECDMP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1c[nH+]ccc1N ZINC000817902839 633763998 /nfs/dbraw/zinc/76/39/98/633763998.db2.gz ZDFQMUQPOCPGFO-NSHDSACASA-N 2 1 269.348 2.280 20 10 CECDMP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CCC[NH2+]1 ZINC000817974196 633816912 /nfs/dbraw/zinc/81/69/12/633816912.db2.gz JIBZNEXUEWTQQY-BBRMVZONSA-N 2 1 278.396 2.120 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959802 635369835 /nfs/dbraw/zinc/36/98/35/635369835.db2.gz OTLFABARUXBAEI-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088526 637696501 /nfs/dbraw/zinc/69/65/01/637696501.db2.gz YWKVVVPXWFGMFB-IUODEOHRSA-N 2 1 278.371 2.495 20 10 CECDMP C[N@@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754327 650421084 /nfs/dbraw/zinc/42/10/84/650421084.db2.gz MQHUANGRLWWROP-CDNLZTBQSA-N 2 1 299.418 2.021 20 10 CECDMP C[N@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754327 650421087 /nfs/dbraw/zinc/42/10/87/650421087.db2.gz MQHUANGRLWWROP-CDNLZTBQSA-N 2 1 299.418 2.021 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044534963 639321773 /nfs/dbraw/zinc/32/17/73/639321773.db2.gz RIDCNRAHBOMUQX-QWHCGFSZSA-N 2 1 278.396 2.393 20 10 CECDMP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876940794 650497230 /nfs/dbraw/zinc/49/72/30/650497230.db2.gz XTQMKNTZOYPKSY-KGLIPLIRSA-N 2 1 260.381 2.417 20 10 CECDMP Cc1cc(Br)c(O)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000841027156 639620254 /nfs/dbraw/zinc/62/02/54/639620254.db2.gz XZLLOARVNJOWDE-UHFFFAOYSA-N 2 1 299.212 2.305 20 10 CECDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841038753 639629094 /nfs/dbraw/zinc/62/90/94/639629094.db2.gz PNESJSYHQFOPFD-ZDUSSCGKSA-N 2 1 267.392 2.355 20 10 CECDMP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000841085222 639650558 /nfs/dbraw/zinc/65/05/58/639650558.db2.gz XBVLPBPKDYZOFL-DTWKUNHWSA-N 2 1 272.751 2.402 20 10 CECDMP COc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1O ZINC000841088248 639652122 /nfs/dbraw/zinc/65/21/22/639652122.db2.gz UCRUNMQTEGEQKX-CYBMUJFWSA-N 2 1 264.369 2.008 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(O)c1 ZINC000841087669 639652379 /nfs/dbraw/zinc/65/23/79/639652379.db2.gz PQKNMSDVEPMVEB-MLGOLLRUSA-N 2 1 278.396 2.208 20 10 CECDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000841101388 639668279 /nfs/dbraw/zinc/66/82/79/639668279.db2.gz VSBSIARERROASK-GXTWGEPZSA-N 2 1 279.403 2.308 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000229102564 639676754 /nfs/dbraw/zinc/67/67/54/639676754.db2.gz WJPHNEJAADUVHS-JTQLQIEISA-N 2 1 284.787 2.225 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000229102564 639676757 /nfs/dbraw/zinc/67/67/57/639676757.db2.gz WJPHNEJAADUVHS-JTQLQIEISA-N 2 1 284.787 2.225 20 10 CECDMP C[NH2+]CCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000841104133 639680806 /nfs/dbraw/zinc/68/08/06/639680806.db2.gz OGEBCNBQVXBESP-FNORWQNLSA-N 2 1 261.413 2.307 20 10 CECDMP C[NH2+]CCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000841104133 639680859 /nfs/dbraw/zinc/68/08/59/639680859.db2.gz OGEBCNBQVXBESP-FNORWQNLSA-N 2 1 261.413 2.307 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843057845 640259946 /nfs/dbraw/zinc/25/99/46/640259946.db2.gz MMGDHFYZDQVZOU-KBPBESRZSA-N 2 1 261.413 2.230 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125018 640291269 /nfs/dbraw/zinc/29/12/69/640291269.db2.gz LGTUWIRICLHYBS-UONOGXRCSA-N 2 1 290.407 2.222 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843125915 640292237 /nfs/dbraw/zinc/29/22/37/640292237.db2.gz CLJWJPXDSSWJEJ-NVXWUHKLSA-N 2 1 273.424 2.245 20 10 CECDMP C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1CC[NH3+] ZINC000844902559 640860303 /nfs/dbraw/zinc/86/03/03/640860303.db2.gz QPALCNXJJMNRJU-WCQYABFASA-N 2 1 292.379 2.070 20 10 CECDMP [NH3+]CC1(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000844903840 640861301 /nfs/dbraw/zinc/86/13/01/640861301.db2.gz OYZOECFVFWULCL-UHFFFAOYSA-N 2 1 272.751 2.403 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000848543568 642044828 /nfs/dbraw/zinc/04/48/28/642044828.db2.gz HEMUNGNKHVFUNW-ZZXKWVIFSA-N 2 1 273.424 2.451 20 10 CECDMP Cc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c(O)c1 ZINC000877536236 650774121 /nfs/dbraw/zinc/77/41/21/650774121.db2.gz MGTJJCLGFIHMCY-UHFFFAOYSA-N 2 1 293.455 2.016 20 10 CECDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000850395903 642700249 /nfs/dbraw/zinc/70/02/49/642700249.db2.gz DQBJINDYADCSOX-MRXNPFEDSA-N 2 1 290.407 2.044 20 10 CECDMP CCOc1ccc(O)c(CN(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000877705969 650861936 /nfs/dbraw/zinc/86/19/36/650861936.db2.gz BZVUEUPNGPGJAD-INIZCTEOSA-N 2 1 290.407 2.317 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923493310 643737556 /nfs/dbraw/zinc/73/75/56/643737556.db2.gz RYMBSMZIDFZZHG-GDBMZVCRSA-N 2 1 275.440 2.478 20 10 CECDMP CCc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877739429 650881429 /nfs/dbraw/zinc/88/14/29/650881429.db2.gz FUCZOVXXBGYEJP-ZBFHGGJFSA-N 2 1 274.408 2.481 20 10 CECDMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877739429 650881431 /nfs/dbraw/zinc/88/14/31/650881431.db2.gz FUCZOVXXBGYEJP-ZBFHGGJFSA-N 2 1 274.408 2.481 20 10 CECDMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000877739429 650881433 /nfs/dbraw/zinc/88/14/33/650881433.db2.gz FUCZOVXXBGYEJP-ZBFHGGJFSA-N 2 1 274.408 2.481 20 10 CECDMP Cc1cc(C)c([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(O)c1 ZINC000854228297 644017444 /nfs/dbraw/zinc/01/74/44/644017444.db2.gz UNQVEHNQUCELTH-VEAWUBTESA-N 2 1 260.381 2.412 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743571 650889064 /nfs/dbraw/zinc/88/90/64/650889064.db2.gz LDWKPFMVCQBOQU-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743571 650889068 /nfs/dbraw/zinc/88/90/68/650889068.db2.gz LDWKPFMVCQBOQU-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743571 650889070 /nfs/dbraw/zinc/88/90/70/650889070.db2.gz LDWKPFMVCQBOQU-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743571 650889073 /nfs/dbraw/zinc/88/90/73/650889073.db2.gz LDWKPFMVCQBOQU-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC3(C)C)cc2)CC1 ZINC000775700629 646982509 /nfs/dbraw/zinc/98/25/09/646982509.db2.gz LIIJQRSXEIAZBA-UHFFFAOYSA-N 2 1 273.424 2.423 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128315481 651410380 /nfs/dbraw/zinc/41/03/80/651410380.db2.gz QYTFQCUPJHGXED-NSHDSACASA-N 2 1 268.788 2.477 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128315481 651410382 /nfs/dbraw/zinc/41/03/82/651410382.db2.gz QYTFQCUPJHGXED-NSHDSACASA-N 2 1 268.788 2.477 20 10 CECDMP CCOc1cccc(C[N@H+](C)CCC[NH+](C)C)c1O ZINC000211451023 651639102 /nfs/dbraw/zinc/63/91/02/651639102.db2.gz NKRATZVUUQBVCN-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP CCOc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000211451023 651639105 /nfs/dbraw/zinc/63/91/05/651639105.db2.gz NKRATZVUUQBVCN-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001118180542 814990864 /nfs/dbraw/zinc/99/08/64/814990864.db2.gz KEDWNINYEMMZGN-SJLPKXTDSA-N 2 1 285.435 2.471 20 10 CECDMP [NH3+][C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC001205110323 807672525 /nfs/dbraw/zinc/67/25/25/807672525.db2.gz SERHOYPVGSGJKQ-JTQLQIEISA-N 2 1 254.761 2.359 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000037644588 361917939 /nfs/dbraw/zinc/91/79/39/361917939.db2.gz ODXMMIDLHJNNSD-HNNXBMFYSA-N 2 1 262.397 2.435 20 10 CECDMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000271851386 373204188 /nfs/dbraw/zinc/20/41/88/373204188.db2.gz TVEVOEYMTDEZAN-UHFFFAOYSA-N 2 1 260.381 2.355 20 10 CECDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC000292791776 377283640 /nfs/dbraw/zinc/28/36/40/377283640.db2.gz MNLFQDMETFZCNK-HNNXBMFYSA-N 2 1 264.344 2.059 20 10 CECDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC000292791776 377283646 /nfs/dbraw/zinc/28/36/46/377283646.db2.gz MNLFQDMETFZCNK-HNNXBMFYSA-N 2 1 264.344 2.059 20 10 CECDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000292791776 377283656 /nfs/dbraw/zinc/28/36/56/377283656.db2.gz MNLFQDMETFZCNK-HNNXBMFYSA-N 2 1 264.344 2.059 20 10 CECDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000292791776 377283668 /nfs/dbraw/zinc/28/36/68/377283668.db2.gz MNLFQDMETFZCNK-HNNXBMFYSA-N 2 1 264.344 2.059 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228671435 394476261 /nfs/dbraw/zinc/47/62/61/394476261.db2.gz IVZQNPBEIDZPOI-LLVKDONJSA-N 2 1 298.814 2.486 20 10 CECDMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185145099 262043966 /nfs/dbraw/zinc/04/39/66/262043966.db2.gz HYNYCSDXBPOXOB-CQSZACIVSA-N 2 1 292.423 2.462 20 10 CECDMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1O ZINC000252563686 334382656 /nfs/dbraw/zinc/38/26/56/334382656.db2.gz XLXYGFSLQLLGIG-LZWOXQAQSA-N 2 1 290.407 2.296 20 10 CECDMP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000290581948 525912189 /nfs/dbraw/zinc/91/21/89/525912189.db2.gz UQHGLTYLHJSEAJ-UHFFFAOYSA-N 2 1 289.379 2.428 20 10 CECDMP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000290581948 525912202 /nfs/dbraw/zinc/91/22/02/525912202.db2.gz UQHGLTYLHJSEAJ-UHFFFAOYSA-N 2 1 289.379 2.428 20 10 CECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000090720995 623544229 /nfs/dbraw/zinc/54/42/29/623544229.db2.gz PCOSUZSMJNLATG-DZGCQCFKSA-N 2 1 261.413 2.325 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894190132 629197331 /nfs/dbraw/zinc/19/73/31/629197331.db2.gz JSBFTBRDTITEQY-ZDUSSCGKSA-N 2 1 278.396 2.141 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(OC)c1O ZINC000894777072 629633378 /nfs/dbraw/zinc/63/33/78/629633378.db2.gz LRLUMBRYPBDZLZ-UHFFFAOYSA-N 2 1 280.412 2.483 20 10 CECDMP C[C@H]([NH2+]CCC[NH3+])c1cccc(C(F)(F)F)c1O ZINC000817938023 633789056 /nfs/dbraw/zinc/78/90/56/633789056.db2.gz BQJHOHFQFCTTMF-QMMMGPOBSA-N 2 1 262.275 2.410 20 10 CECDMP C[C@@H]1CC2(C[N@H+]1Cc1cc(F)ccc1O)CC[NH2+]CC2 ZINC000818431372 633921237 /nfs/dbraw/zinc/92/12/37/633921237.db2.gz KALVTDDDZMJWTD-GFCCVEGCSA-N 2 1 278.371 2.495 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])ccc1N(C)C ZINC000903865209 635315406 /nfs/dbraw/zinc/31/54/06/635315406.db2.gz YSVOYVUZKVVZNQ-DOTOQJQBSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])ccc1N(C)C ZINC000903865209 635315413 /nfs/dbraw/zinc/31/54/13/635315413.db2.gz YSVOYVUZKVVZNQ-DOTOQJQBSA-N 2 1 273.424 2.374 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840929614 639589207 /nfs/dbraw/zinc/58/92/07/639589207.db2.gz SSWZNCKSRXLELV-UHFFFAOYSA-N 2 1 293.455 2.119 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000841038210 639628944 /nfs/dbraw/zinc/62/89/44/639628944.db2.gz HFJCLLFBUVCORV-CYBMUJFWSA-N 2 1 266.385 2.254 20 10 CECDMP Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000841049187 639631780 /nfs/dbraw/zinc/63/17/80/639631780.db2.gz CJCZDTLUHIUZOX-VIFPVBQESA-N 2 1 287.201 2.290 20 10 CECDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000232646459 639942766 /nfs/dbraw/zinc/94/27/66/639942766.db2.gz YVQXQLQVQUIUNX-LBPRGKRZSA-N 2 1 266.360 2.351 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045443 640251124 /nfs/dbraw/zinc/25/11/24/640251124.db2.gz QQGVDPCZHGIWMU-DZGCQCFKSA-N 2 1 290.407 2.365 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000843047838 640252418 /nfs/dbraw/zinc/25/24/18/640252418.db2.gz YKQPPXRWWXIYGR-IMMZDGJCSA-N 2 1 273.424 2.437 20 10 CECDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000843048231 640252719 /nfs/dbraw/zinc/25/27/19/640252719.db2.gz CQAIBTYFTDGGGK-SNVBAGLBSA-N 2 1 254.761 2.135 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843051477 640254346 /nfs/dbraw/zinc/25/43/46/640254346.db2.gz JEGYIHUOXRWQDR-QWHCGFSZSA-N 2 1 278.396 2.350 20 10 CECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000843123511 640290344 /nfs/dbraw/zinc/29/03/44/640290344.db2.gz LCPRLXVBDZRNOU-CYBMUJFWSA-N 2 1 294.395 2.113 20 10 CECDMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1O ZINC000844922019 640867569 /nfs/dbraw/zinc/86/75/69/640867569.db2.gz YZUUIUNYXYPQEM-SNVBAGLBSA-N 2 1 252.333 2.311 20 10 CECDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000846147748 641201933 /nfs/dbraw/zinc/20/19/33/641201933.db2.gz VIPDQCYIWSDLIL-STQMWFEESA-N 2 1 278.396 2.393 20 10 CECDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000846698207 641401002 /nfs/dbraw/zinc/40/10/02/641401002.db2.gz CHBNLGIMFDWPGY-DGCLKSJQSA-N 2 1 265.376 2.203 20 10 CECDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000846698207 641401007 /nfs/dbraw/zinc/40/10/07/641401007.db2.gz CHBNLGIMFDWPGY-DGCLKSJQSA-N 2 1 265.376 2.203 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1N(C)C ZINC000923331445 643661384 /nfs/dbraw/zinc/66/13/84/643661384.db2.gz MBXWYTNUCWKCGS-DZGCQCFKSA-N 2 1 261.413 2.230 20 10 CECDMP C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775691863 646981548 /nfs/dbraw/zinc/98/15/48/646981548.db2.gz HDFTULZJKDKSNY-OAHLLOKOSA-N 2 1 273.424 2.423 20 10 CECDMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128326379 651418679 /nfs/dbraw/zinc/41/86/79/651418679.db2.gz YGYRBHKHCCQPKH-SNVBAGLBSA-N 2 1 254.761 2.087 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128326379 651418680 /nfs/dbraw/zinc/41/86/80/651418680.db2.gz YGYRBHKHCCQPKH-SNVBAGLBSA-N 2 1 254.761 2.087 20 10 CECDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883145191 652378086 /nfs/dbraw/zinc/37/80/86/652378086.db2.gz RGNUOSABPVTUHQ-NSHDSACASA-N 2 1 284.350 2.492 20 10 CECDMP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883145191 652378090 /nfs/dbraw/zinc/37/80/90/652378090.db2.gz RGNUOSABPVTUHQ-NSHDSACASA-N 2 1 284.350 2.492 20 10 CECDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883145191 652378092 /nfs/dbraw/zinc/37/80/92/652378092.db2.gz RGNUOSABPVTUHQ-NSHDSACASA-N 2 1 284.350 2.492 20 10 CECDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000700814001 809357902 /nfs/dbraw/zinc/35/79/02/809357902.db2.gz SPHBZVPBDNOUPT-OAHLLOKOSA-N 2 1 274.408 2.443 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1C[NH3+] ZINC000708888915 809937673 /nfs/dbraw/zinc/93/76/73/809937673.db2.gz IUUWGGFTWLGVHU-NXEZZACHSA-N 2 1 254.761 2.072 20 10 CECDMP C[N@@H+](CCCCCC[NH3+])Cc1cc(F)ccc1O ZINC000710750494 809991586 /nfs/dbraw/zinc/99/15/86/809991586.db2.gz LWKODACAVMVAMZ-UHFFFAOYSA-N 2 1 254.349 2.482 20 10 CECDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000381742123 810864433 /nfs/dbraw/zinc/86/44/33/810864433.db2.gz PIOZBCPDFONMRL-OCCSQVGLSA-N 2 1 260.381 2.311 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001205995794 811293819 /nfs/dbraw/zinc/29/38/19/811293819.db2.gz QLQJHTKIOMVPAW-VXGBXAGGSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCC[C@@H]1C[NH3+] ZINC001205995794 811293823 /nfs/dbraw/zinc/29/38/23/811293823.db2.gz QLQJHTKIOMVPAW-VXGBXAGGSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCC[C@@H]1C[NH3+] ZINC001205995794 811293832 /nfs/dbraw/zinc/29/38/32/811293832.db2.gz QLQJHTKIOMVPAW-VXGBXAGGSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@]1(C)C[NH3+] ZINC000388315907 813235762 /nfs/dbraw/zinc/23/57/62/813235762.db2.gz KYGYYAULJLCAAC-CZUORRHYSA-N 2 1 261.413 2.169 20 10 CECDMP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389118721 813248230 /nfs/dbraw/zinc/24/82/30/813248230.db2.gz MUGZSIQNZZICBI-TXEJJXNPSA-N 2 1 280.799 2.477 20 10 CECDMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1O ZINC000392222451 813299561 /nfs/dbraw/zinc/29/95/61/813299561.db2.gz LLYHTAXZJJMTIV-LLVKDONJSA-N 2 1 264.344 2.444 20 10 CECDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)cc1O ZINC000392222451 813299569 /nfs/dbraw/zinc/29/95/69/813299569.db2.gz LLYHTAXZJJMTIV-LLVKDONJSA-N 2 1 264.344 2.444 20 10 CECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCN4C)C[C@@H]2C1 ZINC001138359375 815776370 /nfs/dbraw/zinc/77/63/70/815776370.db2.gz SOHLAAAUEURVFH-HDICACEKSA-N 2 1 299.462 2.453 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCN4C)C[C@@H]2C1 ZINC001138359375 815776373 /nfs/dbraw/zinc/77/63/73/815776373.db2.gz SOHLAAAUEURVFH-HDICACEKSA-N 2 1 299.462 2.453 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCN4C)C[C@@H]2C1 ZINC001138359375 815776379 /nfs/dbraw/zinc/77/63/79/815776379.db2.gz SOHLAAAUEURVFH-HDICACEKSA-N 2 1 299.462 2.453 20 10 CECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139674117 816077415 /nfs/dbraw/zinc/07/74/15/816077415.db2.gz OHIXYTLCZAFAHH-CALCHBBNSA-N 2 1 287.451 2.445 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139674117 816077421 /nfs/dbraw/zinc/07/74/21/816077421.db2.gz OHIXYTLCZAFAHH-CALCHBBNSA-N 2 1 287.451 2.445 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139674117 816077428 /nfs/dbraw/zinc/07/74/28/816077428.db2.gz OHIXYTLCZAFAHH-CALCHBBNSA-N 2 1 287.451 2.445 20 10 CECDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1O ZINC000282205258 375428383 /nfs/dbraw/zinc/42/83/83/375428383.db2.gz HBRHQMVVYFCYBP-AWEZNQCLSA-N 2 1 291.439 2.069 20 10 CECDMP Cc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000277577983 263041976 /nfs/dbraw/zinc/04/19/76/263041976.db2.gz TUJPWHJOAUFURD-OAHLLOKOSA-N 2 1 292.423 2.291 20 10 CECDMP Cc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000277577977 263042047 /nfs/dbraw/zinc/04/20/47/263042047.db2.gz TUJPWHJOAUFURD-HNNXBMFYSA-N 2 1 292.423 2.291 20 10 CECDMP CC[NH+]1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295819087 276152156 /nfs/dbraw/zinc/15/21/56/276152156.db2.gz DFJLXMAMRWTLOP-AWEZNQCLSA-N 2 1 260.381 2.453 20 10 CECDMP Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217567 333528387 /nfs/dbraw/zinc/52/83/87/333528387.db2.gz UAVNJYAOGDBZSK-TZMCWYRMSA-N 2 1 258.365 2.254 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000245846752 334221468 /nfs/dbraw/zinc/22/14/68/334221468.db2.gz CGXRPGNODYLISG-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000245846752 334221470 /nfs/dbraw/zinc/22/14/70/334221470.db2.gz CGXRPGNODYLISG-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000245846752 334221471 /nfs/dbraw/zinc/22/14/71/334221471.db2.gz CGXRPGNODYLISG-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1O ZINC000252563683 334382730 /nfs/dbraw/zinc/38/27/30/334382730.db2.gz XLXYGFSLQLLGIG-DZKIICNBSA-N 2 1 290.407 2.296 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292183460 522184740 /nfs/dbraw/zinc/18/47/40/522184740.db2.gz QSURATSTPZPEII-KRWDZBQOSA-N 2 1 273.424 2.280 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292183460 522184754 /nfs/dbraw/zinc/18/47/54/522184754.db2.gz QSURATSTPZPEII-KRWDZBQOSA-N 2 1 273.424 2.280 20 10 CECDMP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292183460 522184764 /nfs/dbraw/zinc/18/47/64/522184764.db2.gz QSURATSTPZPEII-KRWDZBQOSA-N 2 1 273.424 2.280 20 10 CECDMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc2c1OCC2 ZINC000037649482 526427955 /nfs/dbraw/zinc/42/79/55/526427955.db2.gz FUNXFYLJHBBFAL-AWEZNQCLSA-N 2 1 272.392 2.195 20 10 CECDMP C[N@@H+](CCCF)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895898061 630393075 /nfs/dbraw/zinc/39/30/75/630393075.db2.gz JCACYJOPCOCWGL-UHFFFAOYSA-N 2 1 279.403 2.230 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000163425562 631565461 /nfs/dbraw/zinc/56/54/61/631565461.db2.gz ITNQKEFDCZLQGI-GXTWGEPZSA-N 2 1 278.396 2.208 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000816643143 633455231 /nfs/dbraw/zinc/45/52/31/633455231.db2.gz WJYXEJAUCMKYEC-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000816643143 633455235 /nfs/dbraw/zinc/45/52/35/633455235.db2.gz WJYXEJAUCMKYEC-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000817970444 633813721 /nfs/dbraw/zinc/81/37/21/633813721.db2.gz VQKVHVNDHREJHG-DRZSPHRISA-N 2 1 292.379 2.099 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817976417 633820046 /nfs/dbraw/zinc/82/00/46/633820046.db2.gz LUGJVKKJJCVAOU-NEPJUHHUSA-N 2 1 294.395 2.347 20 10 CECDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980720 633823886 /nfs/dbraw/zinc/82/38/86/633823886.db2.gz WQAGZPJWMHTIJS-GXTWGEPZSA-N 2 1 295.402 2.050 20 10 CECDMP CN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955487 635389132 /nfs/dbraw/zinc/38/91/32/635389132.db2.gz STIANXNHTKXPCP-ZDUSSCGKSA-N 2 1 283.366 2.087 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000904411250 635619316 /nfs/dbraw/zinc/61/93/16/635619316.db2.gz KHKHNXBBPRGXFQ-UKRRQHHQSA-N 2 1 261.413 2.169 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420544 635631769 /nfs/dbraw/zinc/63/17/69/635631769.db2.gz SEMQXNXYUKESRM-OAZXXZECSA-N 2 1 285.435 2.307 20 10 CECDMP Cc1cccc(O)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000876596725 650352586 /nfs/dbraw/zinc/35/25/86/650352586.db2.gz JXXYFAGEBSVUOB-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(O)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000876596725 650352589 /nfs/dbraw/zinc/35/25/89/650352589.db2.gz JXXYFAGEBSVUOB-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1cccc(O)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000876596725 650352594 /nfs/dbraw/zinc/35/25/94/650352594.db2.gz JXXYFAGEBSVUOB-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000835033127 638031624 /nfs/dbraw/zinc/03/16/24/638031624.db2.gz CPYHGZYQBDBAED-SNAWJCMRSA-N 2 1 273.424 2.450 20 10 CECDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000841073362 639643591 /nfs/dbraw/zinc/64/35/91/639643591.db2.gz WEGUVIVZCBPEKY-CYBMUJFWSA-N 2 1 267.392 2.499 20 10 CECDMP Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841087122 639651552 /nfs/dbraw/zinc/65/15/52/639651552.db2.gz NBADVLLGPVCQSA-HIFRSBDPSA-N 2 1 260.381 2.356 20 10 CECDMP CCOc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)c(O)c1 ZINC000841089161 639653258 /nfs/dbraw/zinc/65/32/58/639653258.db2.gz FUGCQTNVQBXMGM-ZDUSSCGKSA-N 2 1 264.369 2.023 20 10 CECDMP COCCC[NH+]1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876996660 650525388 /nfs/dbraw/zinc/52/53/88/650525388.db2.gz YIMFATPTCFDCPZ-UHFFFAOYSA-N 2 1 292.423 2.291 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843052091 640254644 /nfs/dbraw/zinc/25/46/44/640254644.db2.gz FZMTYAKJEBDMOK-YIEVGGLXSA-N 2 1 273.424 2.307 20 10 CECDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843052785 640255766 /nfs/dbraw/zinc/25/57/66/640255766.db2.gz WEOIMXPFCYTYMB-MNOVXSKESA-N 2 1 252.333 2.091 20 10 CECDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843052785 640255770 /nfs/dbraw/zinc/25/57/70/640255770.db2.gz WEOIMXPFCYTYMB-MNOVXSKESA-N 2 1 252.333 2.091 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c(O)c1 ZINC000843053874 640255991 /nfs/dbraw/zinc/25/59/91/640255991.db2.gz VRRZMOWPNWPWHX-IUODEOHRSA-N 2 1 278.396 2.350 20 10 CECDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000843058497 640261190 /nfs/dbraw/zinc/26/11/90/640261190.db2.gz URQCBZFGUSWZJZ-DGCLKSJQSA-N 2 1 265.376 2.061 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843121055 640289037 /nfs/dbraw/zinc/28/90/37/640289037.db2.gz ZRQIXWKNUMMDBC-WHLIDYPQSA-N 2 1 285.435 2.451 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843121055 640289040 /nfs/dbraw/zinc/28/90/40/640289040.db2.gz ZRQIXWKNUMMDBC-WHLIDYPQSA-N 2 1 285.435 2.451 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000843123843 640291287 /nfs/dbraw/zinc/29/12/87/640291287.db2.gz QHIZAQQYPZCVRC-QGZVFWFLSA-N 2 1 291.414 2.467 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000843123843 640291290 /nfs/dbraw/zinc/29/12/90/640291290.db2.gz QHIZAQQYPZCVRC-QGZVFWFLSA-N 2 1 291.414 2.467 20 10 CECDMP C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@@H]1CC[NH3+] ZINC000844901219 640860419 /nfs/dbraw/zinc/86/04/19/640860419.db2.gz FZCVMLSBEXUJPN-SMDDNHRTSA-N 2 1 266.360 2.481 20 10 CECDMP C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@@H]1CC[NH3+] ZINC000844901219 640860420 /nfs/dbraw/zinc/86/04/20/640860420.db2.gz FZCVMLSBEXUJPN-SMDDNHRTSA-N 2 1 266.360 2.481 20 10 CECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2O)C1 ZINC000844909971 640863399 /nfs/dbraw/zinc/86/33/99/640863399.db2.gz FWWXHOBGLXYQRJ-HLLBOEOZSA-N 2 1 290.407 2.253 20 10 CECDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccccc1O ZINC000845997421 641147156 /nfs/dbraw/zinc/14/71/56/641147156.db2.gz ZUGSUSZKVBQBEZ-UHFFFAOYSA-N 2 1 250.386 2.460 20 10 CECDMP CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CN)c1O ZINC000070175515 641642059 /nfs/dbraw/zinc/64/20/59/641642059.db2.gz OROJWMQXNUNPKK-JSGCOSHPSA-N 2 1 278.396 2.350 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923414072 643702079 /nfs/dbraw/zinc/70/20/79/643702079.db2.gz ZPBKKDYMNORIRS-UKRRQHHQSA-N 2 1 261.413 2.088 20 10 CECDMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877736934 650878271 /nfs/dbraw/zinc/87/82/71/650878271.db2.gz CAGOOHVXLXSCCA-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(O)c1 ZINC000877736934 650878275 /nfs/dbraw/zinc/87/82/75/650878275.db2.gz CAGOOHVXLXSCCA-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(O)c1 ZINC000877736934 650878281 /nfs/dbraw/zinc/87/82/81/650878281.db2.gz CAGOOHVXLXSCCA-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000112017206 644015551 /nfs/dbraw/zinc/01/55/51/644015551.db2.gz KPODXWJHSJXVKY-ZIAGYGMSSA-N 2 1 276.380 2.117 20 10 CECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000854230314 644018681 /nfs/dbraw/zinc/01/86/81/644018681.db2.gz MQZSUUKVHZRLFR-BXUZGUMPSA-N 2 1 294.395 2.203 20 10 CECDMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877742685 650887669 /nfs/dbraw/zinc/88/76/69/650887669.db2.gz QOTRPRPMKJLIRY-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877742685 650887672 /nfs/dbraw/zinc/88/76/72/650887672.db2.gz QOTRPRPMKJLIRY-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877742685 650887673 /nfs/dbraw/zinc/88/76/73/650887673.db2.gz QOTRPRPMKJLIRY-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725575 649470033 /nfs/dbraw/zinc/47/00/33/649470033.db2.gz UOQUZFBPQWCJPC-RDJZCZTQSA-N 2 1 286.419 2.407 20 10 CECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725575 649470034 /nfs/dbraw/zinc/47/00/34/649470034.db2.gz UOQUZFBPQWCJPC-RDJZCZTQSA-N 2 1 286.419 2.407 20 10 CECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]21 ZINC000872725575 649470037 /nfs/dbraw/zinc/47/00/37/649470037.db2.gz UOQUZFBPQWCJPC-RDJZCZTQSA-N 2 1 286.419 2.407 20 10 CECDMP COc1cccc(O)c1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000873216013 649593450 /nfs/dbraw/zinc/59/34/50/649593450.db2.gz NKPIEAYIXAYSMO-GFCCVEGCSA-N 2 1 264.369 2.104 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000873216013 649593451 /nfs/dbraw/zinc/59/34/51/649593451.db2.gz NKPIEAYIXAYSMO-GFCCVEGCSA-N 2 1 264.369 2.104 20 10 CECDMP C[C@@H]([NH2+]Cc1cccc(F)c1O)C1CC[NH2+]CC1 ZINC000873221550 649595958 /nfs/dbraw/zinc/59/59/58/649595958.db2.gz WSRHAQHQIYXSPQ-SNVBAGLBSA-N 2 1 252.333 2.009 20 10 CECDMP C[N@@H+](Cc1cc(F)c(F)cc1O)CC1CC[NH+](C)CC1 ZINC001142520772 806614558 /nfs/dbraw/zinc/61/45/58/806614558.db2.gz POBUGMPFGZKZAO-UHFFFAOYSA-N 2 1 284.350 2.444 20 10 CECDMP C[N@H+](Cc1cc(F)c(F)cc1O)CC1CC[NH+](C)CC1 ZINC001142520772 806614562 /nfs/dbraw/zinc/61/45/62/806614562.db2.gz POBUGMPFGZKZAO-UHFFFAOYSA-N 2 1 284.350 2.444 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000702580952 809568209 /nfs/dbraw/zinc/56/82/09/809568209.db2.gz RPJNDDXBCJIAQU-IYBDPMFKSA-N 2 1 260.381 2.132 20 10 CECDMP COc1cc(C[N@H+]2CCC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253140 815996751 /nfs/dbraw/zinc/99/67/51/815996751.db2.gz NDTNHXXAVYIFTO-GFCCVEGCSA-N 2 1 278.396 2.447 20 10 CECDMP Cc1ccc(C)c(C[N@H+](C)CCC[NH+](C)C)c1O ZINC001140181586 816205888 /nfs/dbraw/zinc/20/58/88/816205888.db2.gz XKBIDPBBCUSGTR-UHFFFAOYSA-N 2 1 250.386 2.393 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290626972 344684533 /nfs/dbraw/zinc/68/45/33/344684533.db2.gz XOWGWACDBOMLPG-WFASDCNBSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290626972 344684534 /nfs/dbraw/zinc/68/45/34/344684534.db2.gz XOWGWACDBOMLPG-WFASDCNBSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290626972 344684535 /nfs/dbraw/zinc/68/45/35/344684535.db2.gz XOWGWACDBOMLPG-WFASDCNBSA-N 2 1 278.396 2.173 20 10 CECDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000083551954 363780005 /nfs/dbraw/zinc/78/00/05/363780005.db2.gz FFWANYUIQZTHRI-LSDHHAIUSA-N 2 1 260.381 2.417 20 10 CECDMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000093644861 394668686 /nfs/dbraw/zinc/66/86/86/394668686.db2.gz JWHJZSQMYWCVBL-DGCLKSJQSA-N 2 1 292.379 2.035 20 10 CECDMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000093644861 394668689 /nfs/dbraw/zinc/66/86/89/394668689.db2.gz JWHJZSQMYWCVBL-DGCLKSJQSA-N 2 1 292.379 2.035 20 10 CECDMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CC[NH+]1C ZINC000093644861 394668691 /nfs/dbraw/zinc/66/86/91/394668691.db2.gz JWHJZSQMYWCVBL-DGCLKSJQSA-N 2 1 292.379 2.035 20 10 CECDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)CC[NH+]1C ZINC000093644861 394668696 /nfs/dbraw/zinc/66/86/96/394668696.db2.gz JWHJZSQMYWCVBL-DGCLKSJQSA-N 2 1 292.379 2.035 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158824046 395054669 /nfs/dbraw/zinc/05/46/69/395054669.db2.gz IFMFNZZBJDLUIJ-QWHCGFSZSA-N 2 1 264.344 2.248 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158824046 395054671 /nfs/dbraw/zinc/05/46/71/395054671.db2.gz IFMFNZZBJDLUIJ-QWHCGFSZSA-N 2 1 264.344 2.248 20 10 CECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174514753 395125004 /nfs/dbraw/zinc/12/50/04/395125004.db2.gz WBWVGKFYQJODSP-JSGCOSHPSA-N 2 1 279.403 2.464 20 10 CECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[N@H+]1C ZINC000174514753 395125009 /nfs/dbraw/zinc/12/50/09/395125009.db2.gz WBWVGKFYQJODSP-JSGCOSHPSA-N 2 1 279.403 2.464 20 10 CECDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273607977 327924263 /nfs/dbraw/zinc/92/42/63/327924263.db2.gz UWVPRAYAADYADH-SNVBAGLBSA-N 2 1 263.316 2.387 20 10 CECDMP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000290414353 524377958 /nfs/dbraw/zinc/37/79/58/524377958.db2.gz KFYQRUKATXVDGR-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000290414353 524377967 /nfs/dbraw/zinc/37/79/67/524377967.db2.gz KFYQRUKATXVDGR-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290414353 524377975 /nfs/dbraw/zinc/37/79/75/524377975.db2.gz KFYQRUKATXVDGR-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290414353 524377984 /nfs/dbraw/zinc/37/79/84/524377984.db2.gz KFYQRUKATXVDGR-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000368734745 524911487 /nfs/dbraw/zinc/91/14/87/524911487.db2.gz ZYOOVWCUZOWFKV-JKIFEVAISA-N 2 1 287.451 2.497 20 10 CECDMP COc1cc(C)cc(C[NH2+]CCCn2cc[nH+]c2C)c1O ZINC000894192698 629200138 /nfs/dbraw/zinc/20/01/38/629200138.db2.gz AVRXVRBTIMYPCC-UHFFFAOYSA-N 2 1 289.379 2.394 20 10 CECDMP C[C@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000895298166 630086212 /nfs/dbraw/zinc/08/62/12/630086212.db2.gz SMUDKILWIREEKE-GFCCVEGCSA-N 2 1 267.392 2.322 20 10 CECDMP CCN(CC)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000841049286 632352745 /nfs/dbraw/zinc/35/27/45/632352745.db2.gz JBTMFBPEAYXBPO-MRXNPFEDSA-N 2 1 261.413 2.360 20 10 CECDMP CCOc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(O)c1 ZINC000817865109 633746781 /nfs/dbraw/zinc/74/67/81/633746781.db2.gz HHIBVJPMOPFPHE-UHFFFAOYSA-N 2 1 276.380 2.119 20 10 CECDMP C[C@@H]([NH2+]CCC[NH3+])c1cccc(C(F)(F)F)c1O ZINC000817938022 633788770 /nfs/dbraw/zinc/78/87/70/633788770.db2.gz BQJHOHFQFCTTMF-MRVPVSSYSA-N 2 1 262.275 2.410 20 10 CECDMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1O ZINC000817969761 633811427 /nfs/dbraw/zinc/81/14/27/633811427.db2.gz ZLZQUPNUVPISOF-JQWIXIFHSA-N 2 1 252.333 2.324 20 10 CECDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1O ZINC000817972630 633815420 /nfs/dbraw/zinc/81/54/20/633815420.db2.gz YUPWLFSBZGQKLI-OUJBWJOFSA-N 2 1 252.333 2.180 20 10 CECDMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1O ZINC000817971902 633815654 /nfs/dbraw/zinc/81/56/54/633815654.db2.gz QZHGFDAELJUULV-SCVCMEIPSA-N 2 1 252.333 2.322 20 10 CECDMP COC[C@@]1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCC[NH2+]1 ZINC000817973681 633817579 /nfs/dbraw/zinc/81/75/79/633817579.db2.gz GIKGBLKNTYJIJU-PBHICJAKSA-N 2 1 292.423 2.428 20 10 CECDMP COC[C@@]1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCC[NH2+]1 ZINC000817975144 633818315 /nfs/dbraw/zinc/81/83/15/633818315.db2.gz RCBPZOXTQCYMOW-CJNGLKHVSA-N 2 1 278.396 2.120 20 10 CECDMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c1 ZINC000876690389 650401774 /nfs/dbraw/zinc/40/17/74/650401774.db2.gz KBFFTWLMPSBGIA-UHFFFAOYSA-N 2 1 262.397 2.474 20 10 CECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(OC)ccc1O ZINC000841030825 639622884 /nfs/dbraw/zinc/62/28/84/639622884.db2.gz ZVKPSUZCBLHHRQ-LBPRGKRZSA-N 2 1 252.358 2.008 20 10 CECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C[NH3+] ZINC000841101391 639669019 /nfs/dbraw/zinc/66/90/19/639669019.db2.gz VSBSIARERROASK-OCCSQVGLSA-N 2 1 279.403 2.308 20 10 CECDMP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052260 640255250 /nfs/dbraw/zinc/25/52/50/640255250.db2.gz RGCUOZWOCKUNFT-BXUZGUMPSA-N 2 1 265.376 2.061 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052260 640255254 /nfs/dbraw/zinc/25/52/54/640255254.db2.gz RGCUOZWOCKUNFT-BXUZGUMPSA-N 2 1 265.376 2.061 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(O)c1 ZINC000843051491 640255339 /nfs/dbraw/zinc/25/53/39/640255339.db2.gz JKEOGGIBAKQEGZ-CHWSQXEVSA-N 2 1 278.396 2.350 20 10 CECDMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843052796 640255700 /nfs/dbraw/zinc/25/57/00/640255700.db2.gz WJIHVJJPTNKREU-ROHVMALMSA-N 2 1 273.424 2.435 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843057848 640259897 /nfs/dbraw/zinc/25/98/97/640259897.db2.gz MMGDHFYZDQVZOU-ZIAGYGMSSA-N 2 1 261.413 2.230 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000843114940 640285180 /nfs/dbraw/zinc/28/51/80/640285180.db2.gz LRKVVJNXSOHJTF-BDUNBXCCSA-N 2 1 273.424 2.437 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000843113549 640285672 /nfs/dbraw/zinc/28/56/72/640285672.db2.gz WTILHECBWYNEDG-CYBMUJFWSA-N 2 1 278.396 2.352 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000843120885 640289624 /nfs/dbraw/zinc/28/96/24/640289624.db2.gz XGPUQCKGKVIECD-MRXNPFEDSA-N 2 1 260.381 2.194 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000843124393 640290225 /nfs/dbraw/zinc/29/02/25/640290225.db2.gz AARAFWSTSIPDIU-PLNGDYQASA-N 2 1 259.397 2.187 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000843126040 640293441 /nfs/dbraw/zinc/29/34/41/640293441.db2.gz FEZDFWKHXGCKMT-ZFWWWQNUSA-N 2 1 260.381 2.193 20 10 CECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2O)C1 ZINC000844909969 640863182 /nfs/dbraw/zinc/86/31/82/640863182.db2.gz FWWXHOBGLXYQRJ-BFYDXBDKSA-N 2 1 290.407 2.253 20 10 CECDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c1 ZINC000877530985 650770957 /nfs/dbraw/zinc/77/09/57/650770957.db2.gz HFDWRDIIQHJVIZ-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(O)c1 ZINC000877530985 650770958 /nfs/dbraw/zinc/77/09/58/650770958.db2.gz HFDWRDIIQHJVIZ-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(O)c1 ZINC000877530985 650770960 /nfs/dbraw/zinc/77/09/60/650770960.db2.gz HFDWRDIIQHJVIZ-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(O)c1 ZINC000877530985 650770962 /nfs/dbraw/zinc/77/09/62/650770962.db2.gz HFDWRDIIQHJVIZ-ZFWWWQNUSA-N 2 1 262.397 2.473 20 10 CECDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770394823 646386777 /nfs/dbraw/zinc/38/67/77/646386777.db2.gz NKMCEEORHNQQLP-CALCHBBNSA-N 2 1 285.435 2.328 20 10 CECDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000770395470 646387048 /nfs/dbraw/zinc/38/70/48/646387048.db2.gz RJJYZYDBFUNZMT-HUUCEWRRSA-N 2 1 291.414 2.323 20 10 CECDMP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)cc1C ZINC000793763650 648794878 /nfs/dbraw/zinc/79/48/78/648794878.db2.gz DYWDUURGCHGKEM-KRWDZBQOSA-N 2 1 290.407 2.237 20 10 CECDMP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)cc1C ZINC000793763650 648794880 /nfs/dbraw/zinc/79/48/80/648794880.db2.gz DYWDUURGCHGKEM-KRWDZBQOSA-N 2 1 290.407 2.237 20 10 CECDMP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)cc1C ZINC000793763650 648794883 /nfs/dbraw/zinc/79/48/83/648794883.db2.gz DYWDUURGCHGKEM-KRWDZBQOSA-N 2 1 290.407 2.237 20 10 CECDMP CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1O ZINC000883442913 652471903 /nfs/dbraw/zinc/47/19/03/652471903.db2.gz VWHJRZDGMIUNNC-OLZOCXBDSA-N 2 1 296.798 2.464 20 10 CECDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000723670769 802826674 /nfs/dbraw/zinc/82/66/74/802826674.db2.gz NZNFADBFBJYCEM-JTQLQIEISA-N 2 1 254.761 2.216 20 10 CECDMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205124322 807720835 /nfs/dbraw/zinc/72/08/35/807720835.db2.gz OHEOGNGUIFUAQO-CYBMUJFWSA-N 2 1 252.333 2.153 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000709872037 809973943 /nfs/dbraw/zinc/97/39/43/809973943.db2.gz XIPOOHZROVRHCV-QGZVFWFLSA-N 2 1 273.424 2.328 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC001118241675 810131321 /nfs/dbraw/zinc/13/13/21/810131321.db2.gz KBEZQXQIVTVVFD-YOEHRIQHSA-N 2 1 273.424 2.456 20 10 CECDMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)c1 ZINC001206295075 816526889 /nfs/dbraw/zinc/52/68/89/816526889.db2.gz KZQUVUBZZNVXAY-INIZCTEOSA-N 2 1 278.396 2.352 20 10 CECDMP CN(C)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000271789625 373201380 /nfs/dbraw/zinc/20/13/80/373201380.db2.gz GHDNCVLAFPCOOQ-UHFFFAOYSA-N 2 1 277.387 2.243 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1O ZINC000272625512 373587301 /nfs/dbraw/zinc/58/73/01/373587301.db2.gz MKGITCYIMNWNSH-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Oc1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371529024 373911565 /nfs/dbraw/zinc/91/15/65/373911565.db2.gz PPKACNFRBXHLQR-FVQBIDKESA-N 2 1 290.382 2.447 20 10 CECDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371529024 373911589 /nfs/dbraw/zinc/91/15/89/373911589.db2.gz PPKACNFRBXHLQR-FVQBIDKESA-N 2 1 290.382 2.447 20 10 CECDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371529024 373911601 /nfs/dbraw/zinc/91/16/01/373911601.db2.gz PPKACNFRBXHLQR-FVQBIDKESA-N 2 1 290.382 2.447 20 10 CECDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccccc2O)CC1 ZINC000375510568 374661374 /nfs/dbraw/zinc/66/13/74/374661374.db2.gz YMLPNHJEEYBWCB-UHFFFAOYSA-N 2 1 260.381 2.452 20 10 CECDMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000071141937 176040359 /nfs/dbraw/zinc/04/03/59/176040359.db2.gz XDRHLWNEIBFTOO-SNVBAGLBSA-N 2 1 254.761 2.087 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000071141937 176040360 /nfs/dbraw/zinc/04/03/60/176040360.db2.gz XDRHLWNEIBFTOO-SNVBAGLBSA-N 2 1 254.761 2.087 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000180392698 261857560 /nfs/dbraw/zinc/85/75/60/261857560.db2.gz QLMHOYJUGCZKML-AWEZNQCLSA-N 2 1 290.407 2.319 20 10 CECDMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000295819091 276151772 /nfs/dbraw/zinc/15/17/72/276151772.db2.gz DFJLXMAMRWTLOP-CQSZACIVSA-N 2 1 260.381 2.453 20 10 CECDMP CN1CCc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000250396342 333305028 /nfs/dbraw/zinc/30/50/28/333305028.db2.gz QYXGIRHKZFNVIR-SJORKVTESA-N 2 1 285.435 2.395 20 10 CECDMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000246073895 334229630 /nfs/dbraw/zinc/22/96/30/334229630.db2.gz ZRYRIZJAVFJRRV-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000246073895 334229631 /nfs/dbraw/zinc/22/96/31/334229631.db2.gz ZRYRIZJAVFJRRV-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c1 ZINC000271810272 334746857 /nfs/dbraw/zinc/74/68/57/334746857.db2.gz LWSHNMHZIGSTLQ-LLVKDONJSA-N 2 1 275.352 2.257 20 10 CECDMP Cc1cccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000290166112 524374542 /nfs/dbraw/zinc/37/45/42/524374542.db2.gz MKFYBORWTYKNQJ-UHFFFAOYSA-N 2 1 293.455 2.016 20 10 CECDMP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994849 623074083 /nfs/dbraw/zinc/07/40/83/623074083.db2.gz DHKDJUZINNPYCT-CQSZACIVSA-N 2 1 266.772 2.231 20 10 CECDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994849 623074089 /nfs/dbraw/zinc/07/40/89/623074089.db2.gz DHKDJUZINNPYCT-CQSZACIVSA-N 2 1 266.772 2.231 20 10 CECDMP COc1cc(C)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000894783025 629640082 /nfs/dbraw/zinc/64/00/82/629640082.db2.gz PGQHMPMGMBHOGV-UKRRQHHQSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000894783025 629640085 /nfs/dbraw/zinc/64/00/85/629640085.db2.gz PGQHMPMGMBHOGV-UKRRQHHQSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000894783025 629640090 /nfs/dbraw/zinc/64/00/90/629640090.db2.gz PGQHMPMGMBHOGV-UKRRQHHQSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000894783025 629640093 /nfs/dbraw/zinc/64/00/93/629640093.db2.gz PGQHMPMGMBHOGV-UKRRQHHQSA-N 2 1 292.423 2.481 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC000903977553 635395338 /nfs/dbraw/zinc/39/53/38/635395338.db2.gz SXJDMTRCYBOLJQ-ZIAGYGMSSA-N 2 1 262.397 2.426 20 10 CECDMP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000228673973 631213983 /nfs/dbraw/zinc/21/39/83/631213983.db2.gz DKOLIIHWPZTXMZ-NSHDSACASA-N 2 1 298.814 2.486 20 10 CECDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000817977089 633820194 /nfs/dbraw/zinc/82/01/94/633820194.db2.gz AVEBVDBYBXQOHH-DANNLKNASA-N 2 1 259.397 2.011 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163389660 635165842 /nfs/dbraw/zinc/16/58/42/635165842.db2.gz SCFISVYYETWUPH-JQWIXIFHSA-N 2 1 298.814 2.471 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000904406753 635613901 /nfs/dbraw/zinc/61/39/01/635613901.db2.gz VPRWPFANIRHMFS-GFCCVEGCSA-N 2 1 265.376 2.062 20 10 CECDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000904406393 635614055 /nfs/dbraw/zinc/61/40/55/635614055.db2.gz SBKMIGWYMOXCKX-VIFPVBQESA-N 2 1 272.751 2.355 20 10 CECDMP [NH3+]C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000841039607 639629685 /nfs/dbraw/zinc/62/96/85/639629685.db2.gz WIKIEOLHWCSBTG-CYBMUJFWSA-N 2 1 292.379 2.118 20 10 CECDMP COc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1O ZINC000841088249 639651345 /nfs/dbraw/zinc/65/13/45/639651345.db2.gz UCRUNMQTEGEQKX-ZDUSSCGKSA-N 2 1 264.369 2.008 20 10 CECDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C[NH3+] ZINC000841101390 639657986 /nfs/dbraw/zinc/65/79/86/639657986.db2.gz VSBSIARERROASK-JSGCOSHPSA-N 2 1 279.403 2.308 20 10 CECDMP [NH3+]CC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000843047671 640251982 /nfs/dbraw/zinc/25/19/82/640251982.db2.gz UYVNWBZSVQCPCQ-UHFFFAOYSA-N 2 1 299.212 2.325 20 10 CECDMP CCOc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843124317 640290729 /nfs/dbraw/zinc/29/07/29/640290729.db2.gz YCTQFEPUUIGDEU-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127193 640293066 /nfs/dbraw/zinc/29/30/66/640293066.db2.gz BKICCSMHWIWXCT-CQSZACIVSA-N 2 1 260.381 2.465 20 10 CECDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000850395902 642699660 /nfs/dbraw/zinc/69/96/60/642699660.db2.gz DQBJINDYADCSOX-INIZCTEOSA-N 2 1 290.407 2.044 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923392224 643691813 /nfs/dbraw/zinc/69/18/13/643691813.db2.gz ITRCPSYPQKBMEU-DZGCQCFKSA-N 2 1 261.413 2.373 20 10 CECDMP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854216631 644013079 /nfs/dbraw/zinc/01/30/79/644013079.db2.gz BNZPQFYZGXGJFZ-CPUCHLNUSA-N 2 1 289.423 2.004 20 10 CECDMP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877742879 650887961 /nfs/dbraw/zinc/88/79/61/650887961.db2.gz GWAAMDLFVFAYKH-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877742879 650887966 /nfs/dbraw/zinc/88/79/66/650887966.db2.gz GWAAMDLFVFAYKH-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877742879 650887969 /nfs/dbraw/zinc/88/79/69/650887969.db2.gz GWAAMDLFVFAYKH-HIFRSBDPSA-N 2 1 260.381 2.227 20 10 CECDMP COc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000839181499 644181043 /nfs/dbraw/zinc/18/10/43/644181043.db2.gz IZPAECPWRSEDKV-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857226302 644858109 /nfs/dbraw/zinc/85/81/09/644858109.db2.gz KISNRORGNISBMM-CZUORRHYSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857226302 644858118 /nfs/dbraw/zinc/85/81/18/644858118.db2.gz KISNRORGNISBMM-CZUORRHYSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226154 644858530 /nfs/dbraw/zinc/85/85/30/644858530.db2.gz GARGZGROZNAPFC-CZUORRHYSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226154 644858535 /nfs/dbraw/zinc/85/85/35/644858535.db2.gz GARGZGROZNAPFC-CZUORRHYSA-N 2 1 276.380 2.104 20 10 CECDMP CN(C)c1cc(F)c(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000858155621 645077608 /nfs/dbraw/zinc/07/76/08/645077608.db2.gz LIHRWDKYYSRYKJ-UHFFFAOYSA-N 2 1 295.377 2.382 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000873228957 649600520 /nfs/dbraw/zinc/60/05/20/649600520.db2.gz KXYGTEARYVXMTP-GOEBONIOSA-N 2 1 260.381 2.050 20 10 CECDMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1O ZINC000879650364 651335643 /nfs/dbraw/zinc/33/56/43/651335643.db2.gz XBWNKWZCGWPVLS-LBPRGKRZSA-N 2 1 259.353 2.409 20 10 CECDMP CCN1CCC([N@@H+](C)Cc2cccc(OC)c2O)CC1 ZINC000131572542 652437546 /nfs/dbraw/zinc/43/75/46/652437546.db2.gz BKEVSABMAPXZHY-UHFFFAOYSA-N 2 1 278.396 2.317 20 10 CECDMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2O)CC1 ZINC000131572542 652437547 /nfs/dbraw/zinc/43/75/47/652437547.db2.gz BKEVSABMAPXZHY-UHFFFAOYSA-N 2 1 278.396 2.317 20 10 CECDMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2O)CC1 ZINC000131572542 652437548 /nfs/dbraw/zinc/43/75/48/652437548.db2.gz BKEVSABMAPXZHY-UHFFFAOYSA-N 2 1 278.396 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1O ZINC000133623046 652693671 /nfs/dbraw/zinc/69/36/71/652693671.db2.gz BNCNLXWZKBGQBF-UHFFFAOYSA-N 2 1 290.407 2.365 20 10 CECDMP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1N(C)C ZINC001205101727 807633656 /nfs/dbraw/zinc/63/36/56/807633656.db2.gz JZNXTZCPODIZCR-HNNXBMFYSA-N 2 1 261.413 2.374 20 10 CECDMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205124520 807722086 /nfs/dbraw/zinc/72/20/86/807722086.db2.gz UAXZVPLILHJENN-GFCCVEGCSA-N 2 1 264.369 2.022 20 10 CECDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000700813998 809356475 /nfs/dbraw/zinc/35/64/75/809356475.db2.gz SPHBZVPBDNOUPT-HNNXBMFYSA-N 2 1 274.408 2.443 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000702581057 809567241 /nfs/dbraw/zinc/56/72/41/809567241.db2.gz VMLHMVBDINKZLW-CALCHBBNSA-N 2 1 273.424 2.184 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157429 815312899 /nfs/dbraw/zinc/31/28/99/815312899.db2.gz YPFCEPUCAVHXBT-GJZGRUSLSA-N 2 1 265.376 2.014 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157429 815312904 /nfs/dbraw/zinc/31/29/04/815312904.db2.gz YPFCEPUCAVHXBT-GJZGRUSLSA-N 2 1 265.376 2.014 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1O ZINC000923503698 810105870 /nfs/dbraw/zinc/10/58/70/810105870.db2.gz LDNFUURRVMDTAZ-CMPLNLGQSA-N 2 1 294.370 2.151 20 10 CECDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000381928106 811114238 /nfs/dbraw/zinc/11/42/38/811114238.db2.gz WFTSTMKFPCCEJP-WFASDCNBSA-N 2 1 264.344 2.092 20 10 CECDMP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC001169111355 811404489 /nfs/dbraw/zinc/40/44/89/811404489.db2.gz OVWCMGBWMAGQGO-QKDCVEJESA-N 2 1 260.381 2.415 20 10 CECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140624338 816307759 /nfs/dbraw/zinc/30/77/59/816307759.db2.gz RJLPUZRKRLMOKZ-GASCZTMLSA-N 2 1 260.381 2.084 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140624338 816307766 /nfs/dbraw/zinc/30/77/66/816307766.db2.gz RJLPUZRKRLMOKZ-GASCZTMLSA-N 2 1 260.381 2.084 20 10 CECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140624338 816307773 /nfs/dbraw/zinc/30/77/73/816307773.db2.gz RJLPUZRKRLMOKZ-GASCZTMLSA-N 2 1 260.381 2.084 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1O ZINC001206292777 816519330 /nfs/dbraw/zinc/51/93/30/816519330.db2.gz DMRKDFMXUTVMLT-MRXNPFEDSA-N 2 1 278.396 2.352 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185008490 262037492 /nfs/dbraw/zinc/03/74/92/262037492.db2.gz MXMHEESFVCROCF-AWEZNQCLSA-N 2 1 280.412 2.320 20 10 CECDMP Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000226584536 333265554 /nfs/dbraw/zinc/26/55/54/333265554.db2.gz XKPKCSLBUWOYIG-NSHDSACASA-N 2 1 264.344 2.105 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+]CCn2cc[nH+]c2C)c1 ZINC000271810275 334746867 /nfs/dbraw/zinc/74/68/67/334746867.db2.gz LWSHNMHZIGSTLQ-NSHDSACASA-N 2 1 275.352 2.257 20 10 CECDMP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925794823 628840523 /nfs/dbraw/zinc/84/05/23/628840523.db2.gz FQHDDLAXIFIIEX-GRYCIOLGSA-N 2 1 266.360 2.428 20 10 CECDMP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1O ZINC000902486099 634702483 /nfs/dbraw/zinc/70/24/83/634702483.db2.gz PLAAZDZNYQSQEN-IRUJWGPZSA-N 2 1 252.333 2.309 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894190131 629197114 /nfs/dbraw/zinc/19/71/14/629197114.db2.gz JSBFTBRDTITEQY-CYBMUJFWSA-N 2 1 278.396 2.141 20 10 CECDMP COc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000894313001 629343316 /nfs/dbraw/zinc/34/33/16/629343316.db2.gz QCUGOQAKEVVCED-JSGCOSHPSA-N 2 1 278.396 2.282 20 10 CECDMP COc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000894313001 629343321 /nfs/dbraw/zinc/34/33/21/629343321.db2.gz QCUGOQAKEVVCED-JSGCOSHPSA-N 2 1 278.396 2.282 20 10 CECDMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817945955 633792332 /nfs/dbraw/zinc/79/23/32/633792332.db2.gz OHYFCOLFXNSAQK-MNOVXSKESA-N 2 1 252.333 2.182 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)c2c1c(F)ccc2O ZINC000817961314 633803193 /nfs/dbraw/zinc/80/31/93/633803193.db2.gz XCSPGXHTZJNTHN-GGZOMVNGSA-N 2 1 264.344 2.407 20 10 CECDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1O ZINC000817972628 633816100 /nfs/dbraw/zinc/81/61/00/633816100.db2.gz YUPWLFSBZGQKLI-KWBADKCTSA-N 2 1 252.333 2.180 20 10 CECDMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903954825 635389391 /nfs/dbraw/zinc/38/93/91/635389391.db2.gz GWGGSZGYBVUNRI-CYBMUJFWSA-N 2 1 284.350 2.338 20 10 CECDMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904386023 635608203 /nfs/dbraw/zinc/60/82/03/635608203.db2.gz NANWYOZZGLKGKP-AWEZNQCLSA-N 2 1 296.361 2.346 20 10 CECDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000904406392 635613457 /nfs/dbraw/zinc/61/34/57/635613457.db2.gz SBKMIGWYMOXCKX-SECBINFHSA-N 2 1 272.751 2.355 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087471 637566366 /nfs/dbraw/zinc/56/63/66/637566366.db2.gz OECNJXWKJWMIEP-HIFRSBDPSA-N 2 1 290.407 2.365 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044534965 639322203 /nfs/dbraw/zinc/32/22/03/639322203.db2.gz RIDCNRAHBOMUQX-CHWSQXEVSA-N 2 1 278.396 2.393 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@H](C[NH3+])CC(C)C)cc1C ZINC000841037624 639628773 /nfs/dbraw/zinc/62/87/73/639628773.db2.gz BQHQMTHIXUASBH-AWEZNQCLSA-N 2 1 250.386 2.472 20 10 CECDMP Cc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000841041039 639630096 /nfs/dbraw/zinc/63/00/96/639630096.db2.gz AUCIJDURLKIBMP-UHFFFAOYSA-N 2 1 285.391 2.365 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000841051624 639633351 /nfs/dbraw/zinc/63/33/51/639633351.db2.gz SVVAYTBAEWVNOF-MJSXRHKHSA-N 2 1 259.397 2.093 20 10 CECDMP [NH3+]CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000843047255 640252066 /nfs/dbraw/zinc/25/20/66/640252066.db2.gz IHORBNAUBGKONV-UHFFFAOYSA-N 2 1 272.751 2.355 20 10 CECDMP C[NH2+]C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000843049613 640253872 /nfs/dbraw/zinc/25/38/72/640253872.db2.gz SYVSWNVFFKRAPW-UHFFFAOYSA-N 2 1 261.413 2.245 20 10 CECDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052448 640254220 /nfs/dbraw/zinc/25/42/20/640254220.db2.gz UEPDNEDXDGHJQW-TZMCWYRMSA-N 2 1 279.403 2.451 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CN)cc1 ZINC000843054288 640257771 /nfs/dbraw/zinc/25/77/71/640257771.db2.gz JCOIJXRXKOQPKK-INIZCTEOSA-N 2 1 261.413 2.456 20 10 CECDMP CCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(O)c1 ZINC000843056691 640258640 /nfs/dbraw/zinc/25/86/40/640258640.db2.gz WOILQGGMQNYQJP-UHFFFAOYSA-N 2 1 266.385 2.208 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000843113605 640285641 /nfs/dbraw/zinc/28/56/41/640285641.db2.gz YMNRZWZEMCHKPY-CYBMUJFWSA-N 2 1 279.403 2.453 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843124846 640290692 /nfs/dbraw/zinc/29/06/92/640290692.db2.gz JCJJIAVCWCKWFX-ZIAGYGMSSA-N 2 1 290.407 2.222 20 10 CECDMP Oc1c(F)cccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843127438 640294437 /nfs/dbraw/zinc/29/44/37/640294437.db2.gz RCWBYOBMVSFLIN-CYBMUJFWSA-N 2 1 278.371 2.353 20 10 CECDMP C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@H]1CC[NH3+] ZINC000844901216 640859807 /nfs/dbraw/zinc/85/98/07/640859807.db2.gz FZCVMLSBEXUJPN-RISCZKNCSA-N 2 1 266.360 2.481 20 10 CECDMP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@H]1CC[NH3+] ZINC000844901216 640859814 /nfs/dbraw/zinc/85/98/14/640859814.db2.gz FZCVMLSBEXUJPN-RISCZKNCSA-N 2 1 266.360 2.481 20 10 CECDMP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000846147747 641202141 /nfs/dbraw/zinc/20/21/41/641202141.db2.gz VIPDQCYIWSDLIL-QWHCGFSZSA-N 2 1 278.396 2.393 20 10 CECDMP CN(C)c1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000849350078 642340477 /nfs/dbraw/zinc/34/04/77/642340477.db2.gz OYOUTPJYQVUMMR-UHFFFAOYSA-N 2 1 265.376 2.253 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1N(C)C ZINC000923358690 643677405 /nfs/dbraw/zinc/67/74/05/643677405.db2.gz KNZWGMMFQFLJTA-JKSUJKDBSA-N 2 1 273.424 2.245 20 10 CECDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ccc2O)C1 ZINC000839183148 644182502 /nfs/dbraw/zinc/18/25/02/644182502.db2.gz UTANGRJFQSMAQC-GFCCVEGCSA-N 2 1 266.360 2.353 20 10 CECDMP COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000768545751 646138454 /nfs/dbraw/zinc/13/84/54/646138454.db2.gz CQBCBSYZAFGBQX-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000768545751 646138457 /nfs/dbraw/zinc/13/84/57/646138457.db2.gz CQBCBSYZAFGBQX-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(O)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000768545751 646138460 /nfs/dbraw/zinc/13/84/60/646138460.db2.gz CQBCBSYZAFGBQX-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(O)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768545751 646138462 /nfs/dbraw/zinc/13/84/62/646138462.db2.gz CQBCBSYZAFGBQX-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1F ZINC000863651289 646777019 /nfs/dbraw/zinc/77/70/19/646777019.db2.gz IQKQCOVQZAJCFP-UHFFFAOYSA-N 2 1 297.418 2.079 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000863650769 646777176 /nfs/dbraw/zinc/77/71/76/646777176.db2.gz CPBOTIWWZGELIH-HDICACEKSA-N 2 1 287.451 2.492 20 10 CECDMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000872251467 649329235 /nfs/dbraw/zinc/32/92/35/649329235.db2.gz JHWHRVZIVVHOQC-GFCCVEGCSA-N 2 1 266.360 2.399 20 10 CECDMP CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1O ZINC000883442912 652472118 /nfs/dbraw/zinc/47/21/18/652472118.db2.gz VWHJRZDGMIUNNC-CHWSQXEVSA-N 2 1 296.798 2.464 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1[NH3+] ZINC000300093540 802392795 /nfs/dbraw/zinc/39/27/95/802392795.db2.gz WGRFWTOEVHHUFK-IAQYHMDHSA-N 2 1 256.349 2.324 20 10 CECDMP COc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397429066 813617931 /nfs/dbraw/zinc/61/79/31/813617931.db2.gz ZGPBRDAQVYQUNI-BZPMIXESSA-N 2 1 278.396 2.206 20 10 CECDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000290311749 283224605 /nfs/dbraw/zinc/22/46/05/283224605.db2.gz CDZMXRWHNIIRHL-UHFFFAOYSA-N 2 1 294.395 2.285 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)c1O ZINC000230744774 370466439 /nfs/dbraw/zinc/46/64/39/370466439.db2.gz OCMGBAGWEOBZQP-UHFFFAOYSA-N 2 1 250.386 2.474 20 10 CECDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000375943546 395104793 /nfs/dbraw/zinc/10/47/93/395104793.db2.gz VSQNDTMWWZIMMZ-CQSZACIVSA-N 2 1 266.360 2.447 20 10 CECDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000375943546 395104799 /nfs/dbraw/zinc/10/47/99/395104799.db2.gz VSQNDTMWWZIMMZ-CQSZACIVSA-N 2 1 266.360 2.447 20 10 CECDMP CCOc1cccc(C[NH2+]C2CC[NH+](CC)CC2)c1O ZINC000038097914 521359994 /nfs/dbraw/zinc/35/99/94/521359994.db2.gz OILMHODEFVWEID-UHFFFAOYSA-N 2 1 278.396 2.365 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000037644587 521717248 /nfs/dbraw/zinc/71/72/48/521717248.db2.gz ODXMMIDLHJNNSD-OAHLLOKOSA-N 2 1 262.397 2.435 20 10 CECDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000094617081 525291949 /nfs/dbraw/zinc/29/19/49/525291949.db2.gz AQLHZAYEIVNBNK-JTQLQIEISA-N 2 1 252.333 2.276 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000290641804 525938420 /nfs/dbraw/zinc/93/84/20/525938420.db2.gz YMXYPIUKZUZQMM-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000290641804 525938428 /nfs/dbraw/zinc/93/84/28/525938428.db2.gz YMXYPIUKZUZQMM-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000290641804 525938436 /nfs/dbraw/zinc/93/84/36/525938436.db2.gz YMXYPIUKZUZQMM-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1O ZINC000895671612 630300788 /nfs/dbraw/zinc/30/07/88/630300788.db2.gz RMIYCIPCWPQLKT-UHFFFAOYSA-N 2 1 290.407 2.461 20 10 CECDMP CCN(CC)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1F ZINC000841028218 631810695 /nfs/dbraw/zinc/81/06/95/631810695.db2.gz MGKLDRVVINASFY-OAHLLOKOSA-N 2 1 279.403 2.499 20 10 CECDMP Nc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000817956213 633799948 /nfs/dbraw/zinc/79/99/48/633799948.db2.gz TZCPJOUWFIERLR-HOTGVXAUSA-N 2 1 259.397 2.028 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000817959146 633801754 /nfs/dbraw/zinc/80/17/54/633801754.db2.gz PTWPTJPZAROCHO-NEPJUHHUSA-N 2 1 266.385 2.425 20 10 CECDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1O ZINC000817970510 633813362 /nfs/dbraw/zinc/81/33/62/633813362.db2.gz XTVNDIYGVURCKF-ZMLRMANQSA-N 2 1 252.333 2.452 20 10 CECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817976418 633820334 /nfs/dbraw/zinc/82/03/34/633820334.db2.gz LUGJVKKJJCVAOU-NWDGAFQWSA-N 2 1 294.395 2.347 20 10 CECDMP Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841087121 639651828 /nfs/dbraw/zinc/65/18/28/639651828.db2.gz NBADVLLGPVCQSA-DZGCQCFKSA-N 2 1 260.381 2.356 20 10 CECDMP COc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000841087068 639652315 /nfs/dbraw/zinc/65/23/15/639652315.db2.gz MKBKNPLCTSHYMV-AWEZNQCLSA-N 2 1 264.369 2.008 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000841101722 639662683 /nfs/dbraw/zinc/66/26/83/639662683.db2.gz ZTCAASKJNFIRJK-ABAIWWIYSA-N 2 1 262.397 2.426 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229102448 639676791 /nfs/dbraw/zinc/67/67/91/639676791.db2.gz ZGSJZDVZIDGTFD-NSHDSACASA-N 2 1 298.814 2.486 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229102448 639676794 /nfs/dbraw/zinc/67/67/94/639676794.db2.gz ZGSJZDVZIDGTFD-NSHDSACASA-N 2 1 298.814 2.486 20 10 CECDMP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1O ZINC000063191264 639837758 /nfs/dbraw/zinc/83/77/58/639837758.db2.gz XHYLCCOROGYTHP-WCQYABFASA-N 2 1 264.369 2.103 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1O ZINC000063191264 639837760 /nfs/dbraw/zinc/83/77/60/639837760.db2.gz XHYLCCOROGYTHP-WCQYABFASA-N 2 1 264.369 2.103 20 10 CECDMP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000313395032 640207424 /nfs/dbraw/zinc/20/74/24/640207424.db2.gz SOJYKKGPVQKIER-DOMZBBRYSA-N 2 1 272.392 2.453 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000843047848 640252368 /nfs/dbraw/zinc/25/23/68/640252368.db2.gz YSSPKFNWSIMSRA-CYBMUJFWSA-N 2 1 265.376 2.062 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000843047848 640252370 /nfs/dbraw/zinc/25/23/70/640252370.db2.gz YSSPKFNWSIMSRA-CYBMUJFWSA-N 2 1 265.376 2.062 20 10 CECDMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000843052177 640255387 /nfs/dbraw/zinc/25/53/87/640255387.db2.gz JWCPQYADVKGKDJ-LLVKDONJSA-N 2 1 268.788 2.395 20 10 CECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000843052177 640255390 /nfs/dbraw/zinc/25/53/90/640255390.db2.gz JWCPQYADVKGKDJ-LLVKDONJSA-N 2 1 268.788 2.395 20 10 CECDMP CC(C)([NH3+])C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843117149 640287049 /nfs/dbraw/zinc/28/70/49/640287049.db2.gz VTLYBLOFIAXKSS-AWEZNQCLSA-N 2 1 278.396 2.111 20 10 CECDMP CC(C)([NH3+])C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843117149 640287052 /nfs/dbraw/zinc/28/70/52/640287052.db2.gz VTLYBLOFIAXKSS-AWEZNQCLSA-N 2 1 278.396 2.111 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000153745618 640630668 /nfs/dbraw/zinc/63/06/68/640630668.db2.gz BLVWCJJEVIJIKB-OAHLLOKOSA-N 2 1 293.455 2.372 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000126796786 650946342 /nfs/dbraw/zinc/94/63/42/650946342.db2.gz XRVWDFNPFVPVKY-VHSXEESVSA-N 2 1 254.761 2.215 20 10 CECDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000723674929 802922706 /nfs/dbraw/zinc/92/27/06/802922706.db2.gz LGCKQZPHCNRCAR-SNVBAGLBSA-N 2 1 254.761 2.216 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169107697 811401291 /nfs/dbraw/zinc/40/12/91/811401291.db2.gz KHSZYFDMMOCEMC-XGBSXSJOSA-N 2 1 273.424 2.467 20 10 CECDMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206174516 815504520 /nfs/dbraw/zinc/50/45/20/815504520.db2.gz NNPZXZFIBZWECQ-UONOGXRCSA-N 2 1 266.360 2.270 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000156093796 366827602 /nfs/dbraw/zinc/82/76/02/366827602.db2.gz CGXRPGNODYLISG-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000156093796 366827604 /nfs/dbraw/zinc/82/76/04/366827604.db2.gz CGXRPGNODYLISG-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000156093796 366827607 /nfs/dbraw/zinc/82/76/07/366827607.db2.gz CGXRPGNODYLISG-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295928554 378358425 /nfs/dbraw/zinc/35/84/25/378358425.db2.gz KBDRDXVWLSPIBH-GXTWGEPZSA-N 2 1 260.381 2.311 20 10 CECDMP CCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)c1 ZINC000194538529 395440312 /nfs/dbraw/zinc/44/03/12/395440312.db2.gz LZTUYEQCJBCXRX-GASCZTMLSA-N 2 1 290.407 2.174 20 10 CECDMP CN1CCc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000157433645 523996621 /nfs/dbraw/zinc/99/66/21/523996621.db2.gz QYXGIRHKZFNVIR-IAGOWNOFSA-N 2 1 285.435 2.395 20 10 CECDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000071408004 525350346 /nfs/dbraw/zinc/35/03/46/525350346.db2.gz JZFQEROGUYNVEQ-ZDUSSCGKSA-N 2 1 260.381 2.275 20 10 CECDMP C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1C[NH3+] ZINC000163492840 627354143 /nfs/dbraw/zinc/35/41/43/627354143.db2.gz GQFSAHIEOFEREF-MNOVXSKESA-N 2 1 268.788 2.462 20 10 CECDMP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000178892814 629236045 /nfs/dbraw/zinc/23/60/45/629236045.db2.gz LGQDJMKGMSOHIC-CQSZACIVSA-N 2 1 262.397 2.393 20 10 CECDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000808715816 632005322 /nfs/dbraw/zinc/00/53/22/632005322.db2.gz XNQXPRRAQAQMLA-IAQYHMDHSA-N 2 1 298.814 2.071 20 10 CECDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000808715816 632005326 /nfs/dbraw/zinc/00/53/26/632005326.db2.gz XNQXPRRAQAQMLA-IAQYHMDHSA-N 2 1 298.814 2.071 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000814178079 632800361 /nfs/dbraw/zinc/80/03/61/632800361.db2.gz BDIADBRDGCSSPR-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC000814178079 632800371 /nfs/dbraw/zinc/80/03/71/632800371.db2.gz BDIADBRDGCSSPR-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC000814178079 632800381 /nfs/dbraw/zinc/80/03/81/632800381.db2.gz BDIADBRDGCSSPR-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817896389 633758212 /nfs/dbraw/zinc/75/82/12/633758212.db2.gz ICVCTLOSAVGGEP-HOTGVXAUSA-N 2 1 261.413 2.373 20 10 CECDMP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817940362 633788486 /nfs/dbraw/zinc/78/84/86/633788486.db2.gz GLSNDXLGXMVTBO-SNVBAGLBSA-N 2 1 252.333 2.182 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088528 637698038 /nfs/dbraw/zinc/69/80/38/637698038.db2.gz YWKVVVPXWFGMFB-WFASDCNBSA-N 2 1 278.371 2.495 20 10 CECDMP C[N@@H+]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754330 650421314 /nfs/dbraw/zinc/42/13/14/650421314.db2.gz MQHUANGRLWWROP-XVJNWHFHSA-N 2 1 299.418 2.021 20 10 CECDMP C[N@H+]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754330 650421316 /nfs/dbraw/zinc/42/13/16/650421316.db2.gz MQHUANGRLWWROP-XVJNWHFHSA-N 2 1 299.418 2.021 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000840915580 639584678 /nfs/dbraw/zinc/58/46/78/639584678.db2.gz RETFAQDWXMBZCV-HNNXBMFYSA-N 2 1 275.440 2.445 20 10 CECDMP COc1ccc(N2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841041678 639629526 /nfs/dbraw/zinc/62/95/26/639629526.db2.gz DTXQUDQOBMJOFW-HNNXBMFYSA-N 2 1 289.423 2.006 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000841049480 639632670 /nfs/dbraw/zinc/63/26/70/639632670.db2.gz SCLOCNBAHZACOI-HWKANZROSA-N 2 1 259.397 2.237 20 10 CECDMP COc1cc(O)c(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000841087500 639651926 /nfs/dbraw/zinc/65/19/26/639651926.db2.gz OUPMIHZZCHLJPB-CYBMUJFWSA-N 2 1 294.395 2.017 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843045381 640251607 /nfs/dbraw/zinc/25/16/07/640251607.db2.gz WANUIZNSJWVGAT-CQSZACIVSA-N 2 1 262.397 2.440 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048521 640252448 /nfs/dbraw/zinc/25/24/48/640252448.db2.gz FDSFQFMWAZUSNG-OAHLLOKOSA-N 2 1 261.413 2.313 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000843053623 640255721 /nfs/dbraw/zinc/25/57/21/640255721.db2.gz OXNQUOXCSBFAHT-SWLSCSKDSA-N 2 1 278.396 2.350 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1O ZINC000843059207 640261321 /nfs/dbraw/zinc/26/13/21/640261321.db2.gz GEADEVANBDSKQG-QEJZJMRPSA-N 2 1 260.381 2.260 20 10 CECDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000843058498 640261415 /nfs/dbraw/zinc/26/14/15/640261415.db2.gz URQCBZFGUSWZJZ-WCQYABFASA-N 2 1 265.376 2.061 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000843125605 640291618 /nfs/dbraw/zinc/29/16/18/640291618.db2.gz YONTUEMKGIGQKO-UHFFFAOYSA-N 2 1 261.413 2.374 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000843125605 640291620 /nfs/dbraw/zinc/29/16/20/640291620.db2.gz YONTUEMKGIGQKO-UHFFFAOYSA-N 2 1 261.413 2.374 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843128374 640295435 /nfs/dbraw/zinc/29/54/35/640295435.db2.gz WZDUGRNAEFMYIT-WTNGUMASSA-N 2 1 285.435 2.450 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843128374 640295439 /nfs/dbraw/zinc/29/54/39/640295439.db2.gz WZDUGRNAEFMYIT-WTNGUMASSA-N 2 1 285.435 2.450 20 10 CECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H]1CN ZINC000070175325 641642019 /nfs/dbraw/zinc/64/20/19/641642019.db2.gz OMHOTDWAVXAHRA-CZUORRHYSA-N 2 1 261.413 2.312 20 10 CECDMP C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C[NH3+] ZINC000070175325 641642021 /nfs/dbraw/zinc/64/20/21/641642021.db2.gz OMHOTDWAVXAHRA-CZUORRHYSA-N 2 1 261.413 2.312 20 10 CECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C[NH3+] ZINC000070175325 641642022 /nfs/dbraw/zinc/64/20/22/641642022.db2.gz OMHOTDWAVXAHRA-CZUORRHYSA-N 2 1 261.413 2.312 20 10 CECDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c1 ZINC000877530982 650770935 /nfs/dbraw/zinc/77/09/35/650770935.db2.gz HFDWRDIIQHJVIZ-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(O)c1 ZINC000877530982 650770936 /nfs/dbraw/zinc/77/09/36/650770936.db2.gz HFDWRDIIQHJVIZ-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(O)c1 ZINC000877530982 650770938 /nfs/dbraw/zinc/77/09/38/650770938.db2.gz HFDWRDIIQHJVIZ-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(O)c1 ZINC000877530982 650770941 /nfs/dbraw/zinc/77/09/41/650770941.db2.gz HFDWRDIIQHJVIZ-DZGCQCFKSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c1 ZINC000877642689 650831204 /nfs/dbraw/zinc/83/12/04/650831204.db2.gz QXVVBHKBKAVWRI-INIZCTEOSA-N 2 1 292.423 2.243 20 10 CECDMP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854216637 644013492 /nfs/dbraw/zinc/01/34/92/644013492.db2.gz BNZPQFYZGXGJFZ-ZQIUZPCESA-N 2 1 289.423 2.004 20 10 CECDMP CC(C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775638276 646975305 /nfs/dbraw/zinc/97/53/05/646975305.db2.gz HDLVMSFJDMTPOA-UHFFFAOYSA-N 2 1 261.413 2.279 20 10 CECDMP Cc1cc(Cl)cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000775746927 646986735 /nfs/dbraw/zinc/98/67/35/646986735.db2.gz HYKUJMKDPUQAFN-VXGBXAGGSA-N 2 1 266.772 2.005 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000133594014 652671977 /nfs/dbraw/zinc/67/19/77/652671977.db2.gz MOFUVZBRNBESEK-UHFFFAOYSA-N 2 1 290.407 2.365 20 10 CECDMP Cc1c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c2ccccc2n1C ZINC001204772018 805807861 /nfs/dbraw/zinc/80/78/61/805807861.db2.gz SMKRUTYRMWVVGB-MRXNPFEDSA-N 2 1 257.381 2.410 20 10 CECDMP Cc1c(C[N@H+]2CC[C@@](C)([NH3+])C2)c2ccccc2n1C ZINC001204772018 805807869 /nfs/dbraw/zinc/80/78/69/805807869.db2.gz SMKRUTYRMWVVGB-MRXNPFEDSA-N 2 1 257.381 2.410 20 10 CECDMP Cc1c(C[N@@H+]2CC[C@](C)([NH3+])C2)c2ccccc2n1C ZINC001204771998 805808372 /nfs/dbraw/zinc/80/83/72/805808372.db2.gz SMKRUTYRMWVVGB-INIZCTEOSA-N 2 1 257.381 2.410 20 10 CECDMP Cc1c(C[N@H+]2CC[C@](C)([NH3+])C2)c2ccccc2n1C ZINC001204771998 805808381 /nfs/dbraw/zinc/80/83/81/805808381.db2.gz SMKRUTYRMWVVGB-INIZCTEOSA-N 2 1 257.381 2.410 20 10 CECDMP COc1cccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1O ZINC000709011794 809939855 /nfs/dbraw/zinc/93/98/55/809939855.db2.gz LLTFUGIKTWQLSW-ZDUSSCGKSA-N 2 1 264.369 2.104 20 10 CECDMP COc1cccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1O ZINC000709011794 809939860 /nfs/dbraw/zinc/93/98/60/809939860.db2.gz LLTFUGIKTWQLSW-ZDUSSCGKSA-N 2 1 264.369 2.104 20 10 CECDMP CCOc1cccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1O ZINC000708995415 809940180 /nfs/dbraw/zinc/94/01/80/809940180.db2.gz DZNKWHJCTFVMSB-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP CCOc1cccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1O ZINC000708995415 809940185 /nfs/dbraw/zinc/94/01/85/809940185.db2.gz DZNKWHJCTFVMSB-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000388370373 813237416 /nfs/dbraw/zinc/23/74/16/813237416.db2.gz KPVWDMYWJKDANJ-AWEZNQCLSA-N 2 1 284.787 2.225 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000388370373 813237419 /nfs/dbraw/zinc/23/74/19/813237419.db2.gz KPVWDMYWJKDANJ-AWEZNQCLSA-N 2 1 284.787 2.225 20 10 CECDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883685 377331262 /nfs/dbraw/zinc/33/12/62/377331262.db2.gz YADHWHFQKAXLAA-HNNXBMFYSA-N 2 1 264.344 2.059 20 10 CECDMP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000093597857 394667255 /nfs/dbraw/zinc/66/72/55/394667255.db2.gz IQBAQUIOIIGRLG-CQSZACIVSA-N 2 1 290.407 2.319 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185008852 262038189 /nfs/dbraw/zinc/03/81/89/262038189.db2.gz XKJGCELCPGDFKY-CQSZACIVSA-N 2 1 280.412 2.320 20 10 CECDMP COc1ccc(O)c(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000224539943 333222384 /nfs/dbraw/zinc/22/23/84/333222384.db2.gz XYNNFWOHVLDNBZ-UHFFFAOYSA-N 2 1 266.385 2.221 20 10 CECDMP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000292739418 524408770 /nfs/dbraw/zinc/40/87/70/524408770.db2.gz HDKIHFZTGGKGNZ-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000292739418 524408782 /nfs/dbraw/zinc/40/87/82/524408782.db2.gz HDKIHFZTGGKGNZ-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000292739418 524408792 /nfs/dbraw/zinc/40/87/92/524408792.db2.gz HDKIHFZTGGKGNZ-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000738227717 574855228 /nfs/dbraw/zinc/85/52/28/574855228.db2.gz OMPATSILXQTHCA-ZDUSSCGKSA-N 2 1 285.391 2.324 20 10 CECDMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000742374629 575018207 /nfs/dbraw/zinc/01/82/07/575018207.db2.gz AQWZPBLGNVLUPS-OCCSQVGLSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000742374629 575018208 /nfs/dbraw/zinc/01/82/08/575018208.db2.gz AQWZPBLGNVLUPS-OCCSQVGLSA-N 2 1 278.396 2.363 20 10 CECDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817901280 633761389 /nfs/dbraw/zinc/76/13/89/633761389.db2.gz AQKZOKVDZOIHIH-CABCVRRESA-N 2 1 260.381 2.371 20 10 CECDMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)c2c1c(F)ccc2O ZINC000817961316 633803305 /nfs/dbraw/zinc/80/33/05/633803305.db2.gz XCSPGXHTZJNTHN-ZHAHWJHGSA-N 2 1 264.344 2.407 20 10 CECDMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1O ZINC000817976850 633819692 /nfs/dbraw/zinc/81/96/92/633819692.db2.gz VMJRDQGTOOGJOC-IINYFYTJSA-N 2 1 264.344 2.324 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904405774 635612267 /nfs/dbraw/zinc/61/22/67/635612267.db2.gz PJXSRYFGRXNGFS-QGZUEGPWSA-N 2 1 273.424 2.437 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904407733 635615377 /nfs/dbraw/zinc/61/53/77/635615377.db2.gz ZXLVJDRNOOYBED-CQSZACIVSA-N 2 1 261.413 2.232 20 10 CECDMP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876940796 650497030 /nfs/dbraw/zinc/49/70/30/650497030.db2.gz XTQMKNTZOYPKSY-ZIAGYGMSSA-N 2 1 260.381 2.417 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000841027936 639620825 /nfs/dbraw/zinc/62/08/25/639620825.db2.gz GSPMMPFOQQDGGV-CWDCEQMOSA-N 2 1 259.397 2.093 20 10 CECDMP CC1(C[NH2+]Cc2cccc(F)c2O)CC[NH2+]CC1 ZINC000841058389 639635645 /nfs/dbraw/zinc/63/56/45/639635645.db2.gz XCLJYVUXXODQGI-UHFFFAOYSA-N 2 1 252.333 2.011 20 10 CECDMP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000841085221 639650396 /nfs/dbraw/zinc/65/03/96/639650396.db2.gz XBVLPBPKDYZOFL-BDAKNGLRSA-N 2 1 272.751 2.402 20 10 CECDMP COc1ccc(O)c(C[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000845995836 641146993 /nfs/dbraw/zinc/14/69/93/641146993.db2.gz HKUZMNPPMWECFS-UHFFFAOYSA-N 2 1 280.412 2.468 20 10 CECDMP CCOCc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OC ZINC000848545899 642046421 /nfs/dbraw/zinc/04/64/21/642046421.db2.gz MZTZCLMYXOPQHC-UHFFFAOYSA-N 2 1 292.423 2.417 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1N(C)C ZINC000923331449 643660800 /nfs/dbraw/zinc/66/08/00/643660800.db2.gz MBXWYTNUCWKCGS-UKRRQHHQSA-N 2 1 261.413 2.230 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1N(C)C ZINC000923356837 643679540 /nfs/dbraw/zinc/67/95/40/643679540.db2.gz VBOYIOGMZJXBEH-INIZCTEOSA-N 2 1 261.413 2.232 20 10 CECDMP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877743512 650888996 /nfs/dbraw/zinc/88/89/96/650888996.db2.gz KWHPFIOUOMAFIH-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877743512 650888998 /nfs/dbraw/zinc/88/89/98/650888998.db2.gz KWHPFIOUOMAFIH-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877743512 650889002 /nfs/dbraw/zinc/88/90/02/650889002.db2.gz KWHPFIOUOMAFIH-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000877743512 650889004 /nfs/dbraw/zinc/88/90/04/650889004.db2.gz KWHPFIOUOMAFIH-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C ZINC000857226757 644859170 /nfs/dbraw/zinc/85/91/70/644859170.db2.gz YWDFBBPBNKHWFB-GDBMZVCRSA-N 2 1 260.381 2.322 20 10 CECDMP CN(C)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000809729838 645007382 /nfs/dbraw/zinc/00/73/82/645007382.db2.gz PPDWJEMDIULBAN-UHFFFAOYSA-N 2 1 267.392 2.275 20 10 CECDMP CN(C)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000809729838 645007384 /nfs/dbraw/zinc/00/73/84/645007384.db2.gz PPDWJEMDIULBAN-UHFFFAOYSA-N 2 1 267.392 2.275 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000769327579 646246182 /nfs/dbraw/zinc/24/61/82/646246182.db2.gz CMMHMNSUHWIQMO-UHFFFAOYSA-N 2 1 278.396 2.174 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873230174 649601055 /nfs/dbraw/zinc/60/10/55/649601055.db2.gz NBUCTZRAQYHXKO-HZPDHXFCSA-N 2 1 260.381 2.383 20 10 CECDMP Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1O ZINC001168360502 806711043 /nfs/dbraw/zinc/71/10/43/806711043.db2.gz RHZSFIHSTMERKQ-UHFFFAOYSA-N 2 1 276.380 2.062 20 10 CECDMP c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001118180541 814990980 /nfs/dbraw/zinc/99/09/80/814990980.db2.gz KEDWNINYEMMZGN-FUHWJXTLSA-N 2 1 285.435 2.471 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709827396 809971771 /nfs/dbraw/zinc/97/17/71/809971771.db2.gz KXUZVIROQIEJLO-OAHLLOKOSA-N 2 1 264.344 2.107 20 10 CECDMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC001140182295 816206057 /nfs/dbraw/zinc/20/60/57/816206057.db2.gz NQDWGKKYCXVXHF-OKILXGFUSA-N 2 1 260.381 2.002 20 10 CECDMP Cc1ccc(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC001140182295 816206063 /nfs/dbraw/zinc/20/60/63/816206063.db2.gz NQDWGKKYCXVXHF-OKILXGFUSA-N 2 1 260.381 2.002 20 10 CECDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000083551953 363780199 /nfs/dbraw/zinc/78/01/99/363780199.db2.gz FFWANYUIQZTHRI-HUUCEWRRSA-N 2 1 260.381 2.417 20 10 CECDMP C[N@H+](Cc1cc(F)ccc1O)C[C@H]1CCC[NH+](C)C1 ZINC000179938717 368360422 /nfs/dbraw/zinc/36/04/22/368360422.db2.gz QBDLKILEQXGTSS-LBPRGKRZSA-N 2 1 266.360 2.305 20 10 CECDMP [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371526824 373911838 /nfs/dbraw/zinc/91/18/38/373911838.db2.gz FXFOSJVIYPCMQN-IJEWVQPXSA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371526824 373911845 /nfs/dbraw/zinc/91/18/45/373911845.db2.gz FXFOSJVIYPCMQN-IJEWVQPXSA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371526824 373911851 /nfs/dbraw/zinc/91/18/51/373911851.db2.gz FXFOSJVIYPCMQN-IJEWVQPXSA-N 2 1 290.382 2.447 20 10 CECDMP COc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1O ZINC000281126148 375356760 /nfs/dbraw/zinc/35/67/60/375356760.db2.gz CNBJLYPZZGTLSI-UHFFFAOYSA-N 2 1 278.396 2.319 20 10 CECDMP COc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1O ZINC000281126148 375356767 /nfs/dbraw/zinc/35/67/67/375356767.db2.gz CNBJLYPZZGTLSI-UHFFFAOYSA-N 2 1 278.396 2.319 20 10 CECDMP CN1CCc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc21 ZINC000322843087 376833490 /nfs/dbraw/zinc/83/34/90/376833490.db2.gz LDRYPKZCPFLXRT-ALOPSCKCSA-N 2 1 285.435 2.394 20 10 CECDMP Oc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000179578541 395197043 /nfs/dbraw/zinc/19/70/43/395197043.db2.gz RJSOYCUJRLRVGB-CQSZACIVSA-N 2 1 260.381 2.310 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185008470 262038168 /nfs/dbraw/zinc/03/81/68/262038168.db2.gz MXMHEESFVCROCF-CQSZACIVSA-N 2 1 280.412 2.320 20 10 CECDMP Oc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226585184 333265571 /nfs/dbraw/zinc/26/55/71/333265571.db2.gz DNUTZQRRQBOVKY-UONOGXRCSA-N 2 1 264.344 2.248 20 10 CECDMP CCCN(c1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](CCOC)C1 ZINC000278357591 521697033 /nfs/dbraw/zinc/69/70/33/521697033.db2.gz JIBFBXHVGBINPP-KRWDZBQOSA-N 2 1 291.439 2.082 20 10 CECDMP CN1CCc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000157433804 523997466 /nfs/dbraw/zinc/99/74/66/523997466.db2.gz QYXGIRHKZFNVIR-DLBZAZTESA-N 2 1 285.435 2.395 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000742375638 623422301 /nfs/dbraw/zinc/42/23/01/623422301.db2.gz SYJDIBKYHXZXSP-JSGCOSHPSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000742375638 623422304 /nfs/dbraw/zinc/42/23/04/623422304.db2.gz SYJDIBKYHXZXSP-JSGCOSHPSA-N 2 1 278.396 2.363 20 10 CECDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000840933102 628750405 /nfs/dbraw/zinc/75/04/05/628750405.db2.gz AIUWFIFCQZKUJU-HNNXBMFYSA-N 2 1 275.440 2.492 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868659 628853790 /nfs/dbraw/zinc/85/37/90/628853790.db2.gz SMFTVGVRZVSDKK-NVXWUHKLSA-N 2 1 273.424 2.469 20 10 CECDMP COc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000894313002 629343450 /nfs/dbraw/zinc/34/34/50/629343450.db2.gz QCUGOQAKEVVCED-OCCSQVGLSA-N 2 1 278.396 2.282 20 10 CECDMP COc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000894313002 629343454 /nfs/dbraw/zinc/34/34/54/629343454.db2.gz QCUGOQAKEVVCED-OCCSQVGLSA-N 2 1 278.396 2.282 20 10 CECDMP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1O ZINC000796962296 630082138 /nfs/dbraw/zinc/08/21/38/630082138.db2.gz TZSMDGNLTFXBTR-AWEZNQCLSA-N 2 1 284.375 2.150 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000816643142 633454866 /nfs/dbraw/zinc/45/48/66/633454866.db2.gz WJYXEJAUCMKYEC-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000816643142 633454867 /nfs/dbraw/zinc/45/48/67/633454867.db2.gz WJYXEJAUCMKYEC-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000818431618 633920716 /nfs/dbraw/zinc/92/07/16/633920716.db2.gz QEMZNAGYVOCSSG-CYBMUJFWSA-N 2 1 290.407 2.365 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000904411580 635619259 /nfs/dbraw/zinc/61/92/59/635619259.db2.gz NTAQGLFGESHSMC-KBPBESRZSA-N 2 1 262.397 2.426 20 10 CECDMP Cc1cc(Br)c(O)c(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000841049185 639632725 /nfs/dbraw/zinc/63/27/25/639632725.db2.gz CJCZDTLUHIUZOX-SECBINFHSA-N 2 1 287.201 2.290 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000229104940 639676775 /nfs/dbraw/zinc/67/67/75/639676775.db2.gz HYQBRHYMTUHHRU-NXEZZACHSA-N 2 1 284.787 2.223 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843044041 640249910 /nfs/dbraw/zinc/24/99/10/640249910.db2.gz ARXMFNYZVWCLFR-CQSZACIVSA-N 2 1 279.403 2.323 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843044041 640249913 /nfs/dbraw/zinc/24/99/13/640249913.db2.gz ARXMFNYZVWCLFR-CQSZACIVSA-N 2 1 279.403 2.323 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843052486 640255794 /nfs/dbraw/zinc/25/57/94/640255794.db2.gz UPLZZGXAVSBEBT-CZUORRHYSA-N 2 1 261.413 2.230 20 10 CECDMP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052262 640256343 /nfs/dbraw/zinc/25/63/43/640256343.db2.gz RGCUOZWOCKUNFT-RISCZKNCSA-N 2 1 265.376 2.061 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052262 640256344 /nfs/dbraw/zinc/25/63/44/640256344.db2.gz RGCUOZWOCKUNFT-RISCZKNCSA-N 2 1 265.376 2.061 20 10 CECDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000843052787 640256667 /nfs/dbraw/zinc/25/66/67/640256667.db2.gz WEOIMXPFCYTYMB-QWRGUYRKSA-N 2 1 252.333 2.091 20 10 CECDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000843052787 640256669 /nfs/dbraw/zinc/25/66/69/640256669.db2.gz WEOIMXPFCYTYMB-QWRGUYRKSA-N 2 1 252.333 2.091 20 10 CECDMP Oc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123650 640290249 /nfs/dbraw/zinc/29/02/49/640290249.db2.gz MGACDMVUYKWFNK-OAHLLOKOSA-N 2 1 264.344 2.107 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123650 640290254 /nfs/dbraw/zinc/29/02/54/640290254.db2.gz MGACDMVUYKWFNK-OAHLLOKOSA-N 2 1 264.344 2.107 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000153745472 640630775 /nfs/dbraw/zinc/63/07/75/640630775.db2.gz BLVWCJJEVIJIKB-HNNXBMFYSA-N 2 1 293.455 2.372 20 10 CECDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000844901456 640860024 /nfs/dbraw/zinc/86/00/24/640860024.db2.gz FMAFIBLZPQYUFG-ZMSDIMECSA-N 2 1 290.407 2.111 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000844902469 640860097 /nfs/dbraw/zinc/86/00/97/640860097.db2.gz NFWPNNLJNXAYBE-YOEHRIQHSA-N 2 1 291.414 2.453 20 10 CECDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921626649 642286992 /nfs/dbraw/zinc/28/69/92/642286992.db2.gz AOQQIISEZFXUOD-UHFFFAOYSA-N 2 1 271.364 2.306 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923392226 643691246 /nfs/dbraw/zinc/69/12/46/643691246.db2.gz ITRCPSYPQKBMEU-UKRRQHHQSA-N 2 1 261.413 2.373 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC000769405494 646261546 /nfs/dbraw/zinc/26/15/46/646261546.db2.gz WSAKXZASOAQDBK-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC=CCC3)cc2)CC1 ZINC000779159365 647292864 /nfs/dbraw/zinc/29/28/64/647292864.db2.gz GPZQIQAQNPXVJK-UHFFFAOYSA-N 2 1 271.408 2.200 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873230173 649601194 /nfs/dbraw/zinc/60/11/94/649601194.db2.gz NBUCTZRAQYHXKO-HOTGVXAUSA-N 2 1 260.381 2.383 20 10 CECDMP COc1ccc2ccc(O)c(C[N@@H+]3CC[C@](C)([NH3+])C3)c2c1 ZINC001204801158 806108138 /nfs/dbraw/zinc/10/81/38/806108138.db2.gz KKOMFWMPHFZSTN-KRWDZBQOSA-N 2 1 286.375 2.477 20 10 CECDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@](C)([NH3+])C3)c2c1 ZINC001204801158 806108142 /nfs/dbraw/zinc/10/81/42/806108142.db2.gz KKOMFWMPHFZSTN-KRWDZBQOSA-N 2 1 286.375 2.477 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000708852614 809936670 /nfs/dbraw/zinc/93/66/70/809936670.db2.gz KNDCCIPKNWSAJY-MWLCHTKSSA-N 2 1 284.787 2.081 20 10 CECDMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1C ZINC001204087450 815355287 /nfs/dbraw/zinc/35/52/87/815355287.db2.gz BPGIYGHBKNOTFK-ARFHVFGLSA-N 2 1 274.408 2.433 20 10 CECDMP C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCC[C@H]1C[NH3+] ZINC001205995793 811292761 /nfs/dbraw/zinc/29/27/61/811292761.db2.gz QLQJHTKIOMVPAW-RYUDHWBXSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCC[C@H]1C[NH3+] ZINC001205995793 811292767 /nfs/dbraw/zinc/29/27/67/811292767.db2.gz QLQJHTKIOMVPAW-RYUDHWBXSA-N 2 1 266.360 2.338 20 10 CECDMP C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCC[C@H]1C[NH3+] ZINC001205995793 811292774 /nfs/dbraw/zinc/29/27/74/811292774.db2.gz QLQJHTKIOMVPAW-RYUDHWBXSA-N 2 1 266.360 2.338 20 10 CECDMP Cc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206174517 815504233 /nfs/dbraw/zinc/50/42/33/815504233.db2.gz NNPZXZFIBZWECQ-ZIAGYGMSSA-N 2 1 266.360 2.270 20 10 CECDMP Cc1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2ccccc2n1C ZINC001138258102 815755710 /nfs/dbraw/zinc/75/57/10/815755710.db2.gz LPDHPPAUADTBKK-GASCZTMLSA-N 2 1 283.419 2.480 20 10 CECDMP Cc1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c2ccccc2n1C ZINC001138258102 815755717 /nfs/dbraw/zinc/75/57/17/815755717.db2.gz LPDHPPAUADTBKK-GASCZTMLSA-N 2 1 283.419 2.480 20 10 CECDMP Cc1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c2ccccc2n1C ZINC001138258102 815755724 /nfs/dbraw/zinc/75/57/24/815755724.db2.gz LPDHPPAUADTBKK-GASCZTMLSA-N 2 1 283.419 2.480 20 10 CECDMP C[N@@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001140466150 816262688 /nfs/dbraw/zinc/26/26/88/816262688.db2.gz YXDLTOKSUKRXPL-TXEJJXNPSA-N 2 1 266.772 2.039 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)c(C)c1O ZINC001140750199 816343195 /nfs/dbraw/zinc/34/31/95/816343195.db2.gz XJSIBZHJKGFHOT-UHFFFAOYSA-N 2 1 266.385 2.180 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000273472223 373759536 /nfs/dbraw/zinc/75/95/36/373759536.db2.gz JZGBHMLBYYKNSL-GFCCVEGCSA-N 2 1 276.380 2.313 20 10 CECDMP C[C@H]1C[C@H]([NH+](C)Cc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000093644862 394669453 /nfs/dbraw/zinc/66/94/53/394669453.db2.gz JWHJZSQMYWCVBL-WCQYABFASA-N 2 1 292.379 2.035 20 10 CECDMP C[C@H]1C[C@H]([NH+](C)Cc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000093644862 394669457 /nfs/dbraw/zinc/66/94/57/394669457.db2.gz JWHJZSQMYWCVBL-WCQYABFASA-N 2 1 292.379 2.035 20 10 CECDMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CC[NH+]1C ZINC000093644862 394669459 /nfs/dbraw/zinc/66/94/59/394669459.db2.gz JWHJZSQMYWCVBL-WCQYABFASA-N 2 1 292.379 2.035 20 10 CECDMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)CC[NH+]1C ZINC000093644862 394669462 /nfs/dbraw/zinc/66/94/62/394669462.db2.gz JWHJZSQMYWCVBL-WCQYABFASA-N 2 1 292.379 2.035 20 10 CECDMP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1O ZINC000796962298 630086439 /nfs/dbraw/zinc/08/64/39/630086439.db2.gz TZSMDGNLTFXBTR-CQSZACIVSA-N 2 1 284.375 2.150 20 10 CECDMP Cc1cc(O)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000824948767 635530243 /nfs/dbraw/zinc/53/02/43/635530243.db2.gz GZDDCABDAKFLHE-VXGBXAGGSA-N 2 1 266.772 2.005 20 10 CECDMP C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC000841061606 632363640 /nfs/dbraw/zinc/36/36/40/632363640.db2.gz LNLHBYBOGBKJGO-UWVGGRQHSA-N 2 1 254.761 2.276 20 10 CECDMP Nc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000817956214 633799821 /nfs/dbraw/zinc/79/98/21/633799821.db2.gz TZCPJOUWFIERLR-HZPDHXFCSA-N 2 1 259.397 2.028 20 10 CECDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000817972627 633815020 /nfs/dbraw/zinc/81/50/20/633815020.db2.gz YUPWLFSBZGQKLI-GBIKHYSHSA-N 2 1 252.333 2.180 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163389568 635165519 /nfs/dbraw/zinc/16/55/19/635165519.db2.gz SCFISVYYETWUPH-PWSUYJOCSA-N 2 1 298.814 2.471 20 10 CECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C)cc1O ZINC000876945369 650499377 /nfs/dbraw/zinc/49/93/77/650499377.db2.gz BEYHGTWSSRXRMG-UHFFFAOYSA-N 2 1 259.353 2.385 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000841027937 639621552 /nfs/dbraw/zinc/62/15/52/639621552.db2.gz GSPMMPFOQQDGGV-MJSXRHKHSA-N 2 1 259.397 2.093 20 10 CECDMP C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CCC[NH2+]C1 ZINC000841032706 639624992 /nfs/dbraw/zinc/62/49/92/639624992.db2.gz FNZLQYLFLNTKFS-GHMZBOCLSA-N 2 1 252.333 2.009 20 10 CECDMP [NH3+]C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000841039608 639630191 /nfs/dbraw/zinc/63/01/91/639630191.db2.gz WIKIEOLHWCSBTG-ZDUSSCGKSA-N 2 1 292.379 2.118 20 10 CECDMP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000063191265 639837429 /nfs/dbraw/zinc/83/74/29/639837429.db2.gz XHYLCCOROGYTHP-DGCLKSJQSA-N 2 1 264.369 2.103 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000063191265 639837432 /nfs/dbraw/zinc/83/74/32/639837432.db2.gz XHYLCCOROGYTHP-DGCLKSJQSA-N 2 1 264.369 2.103 20 10 CECDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC[N@@H+]1C ZINC000312064491 639994330 /nfs/dbraw/zinc/99/43/30/639994330.db2.gz DXMDSHBESRGEOI-BNOWGMLFSA-N 2 1 260.381 2.452 20 10 CECDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC[N@H+]1C ZINC000312064491 639994331 /nfs/dbraw/zinc/99/43/31/639994331.db2.gz DXMDSHBESRGEOI-BNOWGMLFSA-N 2 1 260.381 2.452 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(O)c1 ZINC000843051492 640255012 /nfs/dbraw/zinc/25/50/12/640255012.db2.gz JKEOGGIBAKQEGZ-OLZOCXBDSA-N 2 1 278.396 2.350 20 10 CECDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843057358 640259615 /nfs/dbraw/zinc/25/96/15/640259615.db2.gz JFMDCUYRDWUUIP-QNKPMFPBSA-N 2 1 273.424 2.435 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000843060222 640262339 /nfs/dbraw/zinc/26/23/39/640262339.db2.gz YEJMOBGIXJVJQV-VBNZEHGJSA-N 2 1 290.407 2.350 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843115036 640286511 /nfs/dbraw/zinc/28/65/11/640286511.db2.gz FYUBIBCCUKIVCT-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120145 640289208 /nfs/dbraw/zinc/28/92/08/640289208.db2.gz AMJRHFCTJNZZJM-UHFFFAOYSA-N 2 1 264.344 2.107 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120145 640289211 /nfs/dbraw/zinc/28/92/11/640289211.db2.gz AMJRHFCTJNZZJM-UHFFFAOYSA-N 2 1 264.344 2.107 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120216 640289549 /nfs/dbraw/zinc/28/95/49/640289549.db2.gz ZQCVRPDMAGOXQN-UHFFFAOYSA-N 2 1 290.407 2.366 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1O ZINC000843377580 640410116 /nfs/dbraw/zinc/41/01/16/640410116.db2.gz DIMUPFDRAYDSKN-GFCCVEGCSA-N 2 1 294.370 2.295 20 10 CECDMP [NH3+]CCC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000844911493 640863970 /nfs/dbraw/zinc/86/39/70/640863970.db2.gz MTYTWFPELRYWJE-UHFFFAOYSA-N 2 1 252.333 2.092 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000846225759 641233036 /nfs/dbraw/zinc/23/30/36/641233036.db2.gz UIAFMHOXEFACDB-OAHLLOKOSA-N 2 1 291.439 2.063 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148695 641637158 /nfs/dbraw/zinc/63/71/58/641637158.db2.gz HMQXFSNGQPIELB-MRXNPFEDSA-N 2 1 261.413 2.456 20 10 CECDMP CCc1cccc(C[NH2+]C2CC[NH+](CCOC)CC2)c1O ZINC000848894280 642176184 /nfs/dbraw/zinc/17/61/84/642176184.db2.gz HYKGVRWVWCXHIV-UHFFFAOYSA-N 2 1 292.423 2.155 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1N(C)C ZINC000923331451 643662164 /nfs/dbraw/zinc/66/21/64/643662164.db2.gz MBXWYTNUCWKCGS-ZFWWWQNUSA-N 2 1 261.413 2.230 20 10 CECDMP COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854216635 644013046 /nfs/dbraw/zinc/01/30/46/644013046.db2.gz BNZPQFYZGXGJFZ-KEYYUXOJSA-N 2 1 289.423 2.004 20 10 CECDMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226152 644858872 /nfs/dbraw/zinc/85/88/72/644858872.db2.gz GARGZGROZNAPFC-BBRMVZONSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226152 644858875 /nfs/dbraw/zinc/85/88/75/644858875.db2.gz GARGZGROZNAPFC-BBRMVZONSA-N 2 1 276.380 2.104 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C ZINC000857226759 644859724 /nfs/dbraw/zinc/85/97/24/644859724.db2.gz YWDFBBPBNKHWFB-HOCLYGCPSA-N 2 1 260.381 2.322 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1C ZINC000857226758 644859943 /nfs/dbraw/zinc/85/99/43/644859943.db2.gz YWDFBBPBNKHWFB-GOEBONIOSA-N 2 1 260.381 2.322 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001172110343 815300192 /nfs/dbraw/zinc/30/01/92/815300192.db2.gz MNNHRBIXQKJDGV-BTTYYORXSA-N 2 1 276.380 2.203 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206157427 815313704 /nfs/dbraw/zinc/31/37/04/815313704.db2.gz YPFCEPUCAVHXBT-CABCVRRESA-N 2 1 265.376 2.014 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206157427 815313709 /nfs/dbraw/zinc/31/37/09/815313709.db2.gz YPFCEPUCAVHXBT-CABCVRRESA-N 2 1 265.376 2.014 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710835659 809995574 /nfs/dbraw/zinc/99/55/74/809995574.db2.gz YISJISGSRMUSHK-UHFFFAOYSA-N 2 1 266.385 2.352 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169107696 811401973 /nfs/dbraw/zinc/40/19/73/811401973.db2.gz KHSZYFDMMOCEMC-ACHSLPGTSA-N 2 1 273.424 2.467 20 10 CECDMP COc1cc(C[N@H+]2CCC3(CC3)C2)cc(C[NH+](C)C)c1O ZINC001139254004 812369286 /nfs/dbraw/zinc/36/92/86/812369286.db2.gz BJEPLMULGMOCED-UHFFFAOYSA-N 2 1 290.407 2.448 20 10 CECDMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001206305439 816580490 /nfs/dbraw/zinc/58/04/90/816580490.db2.gz ZLFQJHMVVJPZQB-HNNXBMFYSA-N 2 1 266.360 2.482 20 10 CECDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001206305439 816580494 /nfs/dbraw/zinc/58/04/94/816580494.db2.gz ZLFQJHMVVJPZQB-HNNXBMFYSA-N 2 1 266.360 2.482 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206360744 816825543 /nfs/dbraw/zinc/82/55/43/816825543.db2.gz AIGLDYLORCNPLR-MRXNPFEDSA-N 2 1 295.402 2.111 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000273472224 373760387 /nfs/dbraw/zinc/76/03/87/373760387.db2.gz JZGBHMLBYYKNSL-LBPRGKRZSA-N 2 1 276.380 2.313 20 10 CECDMP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000295042082 378035953 /nfs/dbraw/zinc/03/59/53/378035953.db2.gz OVWCMGBWMAGQGO-GOOCMWNKSA-N 2 1 260.381 2.415 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292802294 521147292 /nfs/dbraw/zinc/14/72/92/521147292.db2.gz NSKDGNRXRTZUKA-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292802294 521147305 /nfs/dbraw/zinc/14/73/05/521147305.db2.gz NSKDGNRXRTZUKA-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292802294 521147313 /nfs/dbraw/zinc/14/73/13/521147313.db2.gz NSKDGNRXRTZUKA-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290364731 525338462 /nfs/dbraw/zinc/33/84/62/525338462.db2.gz HBPSFSKQBPYTCX-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290364731 525338472 /nfs/dbraw/zinc/33/84/72/525338472.db2.gz HBPSFSKQBPYTCX-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290364731 525338477 /nfs/dbraw/zinc/33/84/77/525338477.db2.gz HBPSFSKQBPYTCX-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290364731 525338484 /nfs/dbraw/zinc/33/84/84/525338484.db2.gz HBPSFSKQBPYTCX-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP COc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000040622413 623746304 /nfs/dbraw/zinc/74/63/04/623746304.db2.gz YKPFHXRGYITYGA-ZDUSSCGKSA-N 2 1 278.396 2.221 20 10 CECDMP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1O ZINC000902486098 634702922 /nfs/dbraw/zinc/70/29/22/634702922.db2.gz PLAAZDZNYQSQEN-GAFUQQFSSA-N 2 1 252.333 2.309 20 10 CECDMP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519208 634712102 /nfs/dbraw/zinc/71/21/02/634712102.db2.gz XYWGMOCLUSVOQX-GRDNDAEWSA-N 2 1 292.471 2.071 20 10 CECDMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000841073426 634731412 /nfs/dbraw/zinc/73/14/12/634731412.db2.gz TXFMYUQBZYBTEG-GFCCVEGCSA-N 2 1 252.333 2.009 20 10 CECDMP C[C@@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000895298167 630086775 /nfs/dbraw/zinc/08/67/75/630086775.db2.gz SMUDKILWIREEKE-LBPRGKRZSA-N 2 1 267.392 2.322 20 10 CECDMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(O)c1 ZINC000897619966 631831823 /nfs/dbraw/zinc/83/18/23/631831823.db2.gz AOOYZCOQACSJSY-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c(O)c1 ZINC000897619966 631831825 /nfs/dbraw/zinc/83/18/25/631831825.db2.gz AOOYZCOQACSJSY-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c(O)c1 ZINC000897619966 631831830 /nfs/dbraw/zinc/83/18/30/631831830.db2.gz AOOYZCOQACSJSY-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620320 631832008 /nfs/dbraw/zinc/83/20/08/631832008.db2.gz MTWMPBBAJFELER-FUHWJXTLSA-N 2 1 287.451 2.445 20 10 CECDMP Cc1cc(N(C)C)ccc1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897620320 631832011 /nfs/dbraw/zinc/83/20/11/631832011.db2.gz MTWMPBBAJFELER-FUHWJXTLSA-N 2 1 287.451 2.445 20 10 CECDMP Cc1cc(N(C)C)ccc1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897620320 631832013 /nfs/dbraw/zinc/83/20/13/631832013.db2.gz MTWMPBBAJFELER-FUHWJXTLSA-N 2 1 287.451 2.445 20 10 CECDMP COC[C@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCC[NH2+]1 ZINC000817973683 633816751 /nfs/dbraw/zinc/81/67/51/633816751.db2.gz GIKGBLKNTYJIJU-WMLDXEAASA-N 2 1 292.423 2.428 20 10 CECDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](C)[NH3+] ZINC000817977752 633822122 /nfs/dbraw/zinc/82/21/22/633822122.db2.gz OCIQQWVBASRZCU-XQQFMLRXSA-N 2 1 295.402 2.049 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000903960094 635369007 /nfs/dbraw/zinc/36/90/07/635369007.db2.gz WWFHJNQWXZLENW-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP [NH3+]CC[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000904405801 635612377 /nfs/dbraw/zinc/61/23/77/635612377.db2.gz PTWGAQFCZWSIDS-SECBINFHSA-N 2 1 272.751 2.355 20 10 CECDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000904405801 635612382 /nfs/dbraw/zinc/61/23/82/635612382.db2.gz PTWGAQFCZWSIDS-SECBINFHSA-N 2 1 272.751 2.355 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904405771 635612437 /nfs/dbraw/zinc/61/24/37/635612437.db2.gz PJXSRYFGRXNGFS-CWDCEQMOSA-N 2 1 273.424 2.437 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000904410440 635616701 /nfs/dbraw/zinc/61/67/01/635616701.db2.gz DLRKRPJVPQUTQV-GHMZBOCLSA-N 2 1 268.788 2.462 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410563 635616959 /nfs/dbraw/zinc/61/69/59/635616959.db2.gz OQWIUXGPQADDIN-CABCVRRESA-N 2 1 275.440 2.478 20 10 CECDMP COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c(O)cc1C ZINC000904437731 635625222 /nfs/dbraw/zinc/62/52/22/635625222.db2.gz TWTAGPZSEYGHOG-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c(O)cc1C ZINC000904437731 635625228 /nfs/dbraw/zinc/62/52/28/635625228.db2.gz TWTAGPZSEYGHOG-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c(O)cc1C ZINC000904437731 635625232 /nfs/dbraw/zinc/62/52/32/635625232.db2.gz TWTAGPZSEYGHOG-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c(O)cc1C ZINC000904437731 635625236 /nfs/dbraw/zinc/62/52/36/635625236.db2.gz TWTAGPZSEYGHOG-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c(O)cc1C ZINC000904437731 635625239 /nfs/dbraw/zinc/62/52/39/635625239.db2.gz TWTAGPZSEYGHOG-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(O)cc1C ZINC000904437731 635625243 /nfs/dbraw/zinc/62/52/43/635625243.db2.gz TWTAGPZSEYGHOG-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP COc1cc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c(O)cc1C ZINC000904437731 635625259 /nfs/dbraw/zinc/62/52/59/635625259.db2.gz TWTAGPZSEYGHOG-WMLDXEAASA-N 2 1 290.407 2.093 20 10 CECDMP Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000827549080 636349842 /nfs/dbraw/zinc/34/98/42/636349842.db2.gz AFJDKKTTYCRVKV-MRXNPFEDSA-N 2 1 290.407 2.044 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC[N@@H+]1C ZINC000226612781 639555801 /nfs/dbraw/zinc/55/58/01/639555801.db2.gz WRGSLHMGTXPBLZ-ZWNOBZJWSA-N 2 1 252.333 2.104 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC[N@H+]1C ZINC000226612781 639555805 /nfs/dbraw/zinc/55/58/05/639555805.db2.gz WRGSLHMGTXPBLZ-ZWNOBZJWSA-N 2 1 252.333 2.104 20 10 CECDMP C[C@]1(C[NH2+]Cc2cccc(F)c2O)CCC[NH2+]C1 ZINC000841057044 639635633 /nfs/dbraw/zinc/63/56/33/639635633.db2.gz LKGVPLANPMLQQU-AWEZNQCLSA-N 2 1 252.333 2.011 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000841090870 639653344 /nfs/dbraw/zinc/65/33/44/639653344.db2.gz OXOSVGOFOGZSKO-RHSMWYFYSA-N 2 1 275.440 2.478 20 10 CECDMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052331 640256168 /nfs/dbraw/zinc/25/61/68/640256168.db2.gz OPTXIDQXOITQHN-HIFRSBDPSA-N 2 1 279.403 2.451 20 10 CECDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052331 640256171 /nfs/dbraw/zinc/25/61/71/640256171.db2.gz OPTXIDQXOITQHN-HIFRSBDPSA-N 2 1 279.403 2.451 20 10 CECDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000843058699 640261229 /nfs/dbraw/zinc/26/12/29/640261229.db2.gz WHAMBXSFODACND-PJFORWJISA-N 2 1 273.424 2.435 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000843059940 640262824 /nfs/dbraw/zinc/26/28/24/640262824.db2.gz VQTPVOWWXPWHGM-LZWOXQAQSA-N 2 1 291.414 2.451 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000843120196 640289420 /nfs/dbraw/zinc/28/94/20/640289420.db2.gz SAYXJWJSVZGUTF-UHFFFAOYSA-N 2 1 291.414 2.467 20 10 CECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H]1CN ZINC000070175326 641642165 /nfs/dbraw/zinc/64/21/65/641642165.db2.gz OMHOTDWAVXAHRA-XJKSGUPXSA-N 2 1 261.413 2.312 20 10 CECDMP C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C[NH3+] ZINC000070175326 641642168 /nfs/dbraw/zinc/64/21/68/641642168.db2.gz OMHOTDWAVXAHRA-XJKSGUPXSA-N 2 1 261.413 2.312 20 10 CECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C[NH3+] ZINC000070175326 641642170 /nfs/dbraw/zinc/64/21/70/641642170.db2.gz OMHOTDWAVXAHRA-XJKSGUPXSA-N 2 1 261.413 2.312 20 10 CECDMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000108098113 642226094 /nfs/dbraw/zinc/22/60/94/642226094.db2.gz RUIHHLKIMKYEFW-JKSUJKDBSA-N 2 1 272.392 2.338 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923291891 643641810 /nfs/dbraw/zinc/64/18/10/643641810.db2.gz TXTLZKRIYZBSER-HNNXBMFYSA-N 2 1 261.413 2.102 20 10 CECDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740972 650884423 /nfs/dbraw/zinc/88/44/23/650884423.db2.gz LQCKYKDOHHGJFE-BXUZGUMPSA-N 2 1 264.344 2.057 20 10 CECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740972 650884426 /nfs/dbraw/zinc/88/44/26/650884426.db2.gz LQCKYKDOHHGJFE-BXUZGUMPSA-N 2 1 264.344 2.057 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740972 650884428 /nfs/dbraw/zinc/88/44/28/650884428.db2.gz LQCKYKDOHHGJFE-BXUZGUMPSA-N 2 1 264.344 2.057 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740972 650884432 /nfs/dbraw/zinc/88/44/32/650884432.db2.gz LQCKYKDOHHGJFE-BXUZGUMPSA-N 2 1 264.344 2.057 20 10 CECDMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(O)c1 ZINC000877744386 650890228 /nfs/dbraw/zinc/89/02/28/650890228.db2.gz SIKAAYUPYBLJBJ-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(O)c1 ZINC000877744386 650890231 /nfs/dbraw/zinc/89/02/31/650890231.db2.gz SIKAAYUPYBLJBJ-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877744386 650890234 /nfs/dbraw/zinc/89/02/34/650890234.db2.gz SIKAAYUPYBLJBJ-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(O)c1 ZINC000877744386 650890239 /nfs/dbraw/zinc/89/02/39/650890239.db2.gz SIKAAYUPYBLJBJ-CZUORRHYSA-N 2 1 290.407 2.317 20 10 CECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)ccc4ccncc43)CC[C@H]21 ZINC000872726681 649470135 /nfs/dbraw/zinc/47/01/35/649470135.db2.gz UIFRBMPCNYGTBR-RHSMWYFYSA-N 2 1 297.402 2.466 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CC[C@H]21 ZINC000872726681 649470137 /nfs/dbraw/zinc/47/01/37/649470137.db2.gz UIFRBMPCNYGTBR-RHSMWYFYSA-N 2 1 297.402 2.466 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)CC[C@H]21 ZINC000872726681 649470141 /nfs/dbraw/zinc/47/01/41/649470141.db2.gz UIFRBMPCNYGTBR-RHSMWYFYSA-N 2 1 297.402 2.466 20 10 CECDMP CCOc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c(O)c1 ZINC000873216344 649592999 /nfs/dbraw/zinc/59/29/99/649592999.db2.gz QRFAVMSCSHYVNO-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c(O)c1 ZINC000873216344 649593001 /nfs/dbraw/zinc/59/30/01/649593001.db2.gz QRFAVMSCSHYVNO-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000873215765 649593493 /nfs/dbraw/zinc/59/34/93/649593493.db2.gz GMANZZYQFNQPGI-GHMZBOCLSA-N 2 1 268.788 2.381 20 10 CECDMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c(O)c1 ZINC001205017985 805948526 /nfs/dbraw/zinc/94/85/26/805948526.db2.gz QEJNFAHRFOUFJJ-CQSZACIVSA-N 2 1 262.397 2.386 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000723907394 802966400 /nfs/dbraw/zinc/96/64/00/802966400.db2.gz BKSWXOYOHBQDTJ-UKRRQHHQSA-N 2 1 261.413 2.169 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1CC[NH3+] ZINC000723905680 802966605 /nfs/dbraw/zinc/96/66/05/802966605.db2.gz MFSWTBRZGNLDIC-GHMZBOCLSA-N 2 1 268.788 2.462 20 10 CECDMP [NH3+][C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC001205094676 807581483 /nfs/dbraw/zinc/58/14/83/807581483.db2.gz NXLCMUWNVLGKJL-GFCCVEGCSA-N 2 1 299.212 2.468 20 10 CECDMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001205094676 807581488 /nfs/dbraw/zinc/58/14/88/807581488.db2.gz NXLCMUWNVLGKJL-GFCCVEGCSA-N 2 1 299.212 2.468 20 10 CECDMP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381332412 810329010 /nfs/dbraw/zinc/32/90/10/810329010.db2.gz BTZNKBSPVGNBTI-ZWNOBZJWSA-N 2 1 266.772 2.229 20 10 CECDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381332412 810329011 /nfs/dbraw/zinc/32/90/11/810329011.db2.gz BTZNKBSPVGNBTI-ZWNOBZJWSA-N 2 1 266.772 2.229 20 10 CECDMP COc1cc(C[N@@H+](C)C(C)C)cc(C[NH+](C)C)c1O ZINC001139253582 815996771 /nfs/dbraw/zinc/99/67/71/815996771.db2.gz ZIFHSWHCAANNLM-UHFFFAOYSA-N 2 1 266.385 2.303 20 10 CECDMP CCOc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206369838 816835996 /nfs/dbraw/zinc/83/59/96/816835996.db2.gz JAAVIICHRNWXSN-INIZCTEOSA-N 2 1 296.386 2.444 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206369838 816836003 /nfs/dbraw/zinc/83/60/03/816836003.db2.gz JAAVIICHRNWXSN-INIZCTEOSA-N 2 1 296.386 2.444 20 10 CECDMP C[N@@H+](CCCn1ccnc1)Cc1cc(F)ccc1O ZINC000290625215 344684345 /nfs/dbraw/zinc/68/43/45/344684345.db2.gz XNZNQTSQQWBITL-UHFFFAOYSA-N 2 1 263.316 2.250 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000179637673 368347197 /nfs/dbraw/zinc/34/71/97/368347197.db2.gz BPWKLDSTVDRWNR-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883687 377331637 /nfs/dbraw/zinc/33/16/37/377331637.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 2 1 264.344 2.059 20 10 CECDMP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C ZINC000194541988 395440535 /nfs/dbraw/zinc/44/05/35/395440535.db2.gz BSAVKDBUOOIEET-GASCZTMLSA-N 2 1 260.381 2.002 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000194541988 395440539 /nfs/dbraw/zinc/44/05/39/395440539.db2.gz BSAVKDBUOOIEET-GASCZTMLSA-N 2 1 260.381 2.002 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000194541988 395440542 /nfs/dbraw/zinc/44/05/42/395440542.db2.gz BSAVKDBUOOIEET-GASCZTMLSA-N 2 1 260.381 2.002 20 10 CECDMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccccc1O ZINC000155114211 261098298 /nfs/dbraw/zinc/09/82/98/261098298.db2.gz PRAYOTLGCASLST-OAHLLOKOSA-N 2 1 280.412 2.401 20 10 CECDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000185116004 262041981 /nfs/dbraw/zinc/04/19/81/262041981.db2.gz SLFSAJNAACKOHH-CQSZACIVSA-N 2 1 292.423 2.198 20 10 CECDMP Oc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733331052 574665164 /nfs/dbraw/zinc/66/51/64/574665164.db2.gz YJSJATSVFXUWSH-MRXNPFEDSA-N 2 1 290.407 2.125 20 10 CECDMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1 ZINC000742374628 575017815 /nfs/dbraw/zinc/01/78/15/575017815.db2.gz AQWZPBLGNVLUPS-JSGCOSHPSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000742374628 575017816 /nfs/dbraw/zinc/01/78/16/575017816.db2.gz AQWZPBLGNVLUPS-JSGCOSHPSA-N 2 1 278.396 2.363 20 10 CECDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000236253573 625915772 /nfs/dbraw/zinc/91/57/72/625915772.db2.gz OGVVPKCXVYEGRN-CYBMUJFWSA-N 2 1 252.333 2.235 20 10 CECDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1O ZINC000216020812 628768206 /nfs/dbraw/zinc/76/82/06/628768206.db2.gz MLSJHRBHVAZBOQ-UWVGGRQHSA-N 2 1 254.761 2.215 20 10 CECDMP COc1cc(C)cc(C[NH2+]CCn2cc[nH+]c2C)c1O ZINC000894211207 629229602 /nfs/dbraw/zinc/22/96/02/629229602.db2.gz OQWINNGJLOQKTK-UHFFFAOYSA-N 2 1 275.352 2.004 20 10 CECDMP CN(C)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817865965 633748049 /nfs/dbraw/zinc/74/80/49/633748049.db2.gz QEBNDVOVMKVGSP-UHFFFAOYSA-N 2 1 259.397 2.081 20 10 CECDMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817968116 633812234 /nfs/dbraw/zinc/81/22/34/633812234.db2.gz PFGMEUWOGOBKFQ-JTQLQIEISA-N 2 1 250.317 2.102 20 10 CECDMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC000904376547 635602142 /nfs/dbraw/zinc/60/21/42/635602142.db2.gz BGILMEHJRAZSHX-UHFFFAOYSA-N 2 1 260.381 2.373 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412529 635620485 /nfs/dbraw/zinc/62/04/85/635620485.db2.gz VKIBZVZVSDIOPT-CHWSQXEVSA-N 2 1 278.396 2.208 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000827857251 636443448 /nfs/dbraw/zinc/44/34/48/636443448.db2.gz ZQTAUMAJVBSAOU-MRXNPFEDSA-N 2 1 292.423 2.243 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841085703 637403693 /nfs/dbraw/zinc/40/36/93/637403693.db2.gz BCCSQKGMBLNCIT-BBRMVZONSA-N 2 1 290.407 2.365 20 10 CECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841029008 639621334 /nfs/dbraw/zinc/62/13/34/639621334.db2.gz LEITZRIPJBSUHV-INIZCTEOSA-N 2 1 291.439 2.130 20 10 CECDMP CCN(CC)c1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1F ZINC000841048908 639632312 /nfs/dbraw/zinc/63/23/12/639632312.db2.gz GOWOWOUOCRHNKV-OAHLLOKOSA-N 2 1 279.403 2.499 20 10 CECDMP CCOCc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OC ZINC000841079555 639648014 /nfs/dbraw/zinc/64/80/14/639648014.db2.gz KUXUJAQRNYQZTG-RYUDHWBXSA-N 2 1 266.385 2.057 20 10 CECDMP CCOCc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000841079553 639648354 /nfs/dbraw/zinc/64/83/54/639648354.db2.gz KUXUJAQRNYQZTG-NEPJUHHUSA-N 2 1 266.385 2.057 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1C ZINC000841087921 639651453 /nfs/dbraw/zinc/65/14/53/639651453.db2.gz UBEQECNJOXHUSU-CQSZACIVSA-N 2 1 250.386 2.472 20 10 CECDMP COc1cc(O)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000841087502 639651859 /nfs/dbraw/zinc/65/18/59/639651859.db2.gz OUPMIHZZCHLJPB-ZDUSSCGKSA-N 2 1 294.395 2.017 20 10 CECDMP Cc1cccc(O)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000877042037 650544090 /nfs/dbraw/zinc/54/40/90/650544090.db2.gz RXBUACGGMCPPKA-OAHLLOKOSA-N 2 1 292.423 2.027 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000843044652 640249377 /nfs/dbraw/zinc/24/93/77/640249377.db2.gz DOROVGJFKBZZIP-WFASDCNBSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000843044652 640249380 /nfs/dbraw/zinc/24/93/80/640249380.db2.gz DOROVGJFKBZZIP-WFASDCNBSA-N 2 1 278.396 2.493 20 10 CECDMP CCC[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC[NH2+]CC1 ZINC000843044991 640249767 /nfs/dbraw/zinc/24/97/67/640249767.db2.gz PBLBQWABSJMDDL-UHFFFAOYSA-N 2 1 292.379 2.085 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045444 640251081 /nfs/dbraw/zinc/25/10/81/640251081.db2.gz QQGVDPCZHGIWMU-HIFRSBDPSA-N 2 1 290.407 2.365 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843047098 640251200 /nfs/dbraw/zinc/25/12/00/640251200.db2.gz NZJAGEWSGFJNDN-AWEZNQCLSA-N 2 1 261.413 2.232 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045446 640251332 /nfs/dbraw/zinc/25/13/32/640251332.db2.gz QQGVDPCZHGIWMU-ZFWWWQNUSA-N 2 1 290.407 2.365 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125189 640291826 /nfs/dbraw/zinc/29/18/26/640291826.db2.gz NRLQZEAPUYUNBL-KGLIPLIRSA-N 2 1 290.407 2.222 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000843126037 640293422 /nfs/dbraw/zinc/29/34/22/640293422.db2.gz FEZDFWKHXGCKMT-HIFRSBDPSA-N 2 1 260.381 2.193 20 10 CECDMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000070148529 641635107 /nfs/dbraw/zinc/63/51/07/641635107.db2.gz JELFXUZHZQUUNX-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP Cc1cccc(O)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000877477673 650739882 /nfs/dbraw/zinc/73/98/82/650739882.db2.gz HHYWXFZOFWDFGU-HNNXBMFYSA-N 2 1 292.423 2.291 20 10 CECDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(O)c1 ZINC000877530983 650770607 /nfs/dbraw/zinc/77/06/07/650770607.db2.gz HFDWRDIIQHJVIZ-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(O)c1 ZINC000877530983 650770609 /nfs/dbraw/zinc/77/06/09/650770609.db2.gz HFDWRDIIQHJVIZ-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(O)c1 ZINC000877530983 650770611 /nfs/dbraw/zinc/77/06/11/650770611.db2.gz HFDWRDIIQHJVIZ-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(O)c1 ZINC000877530983 650770612 /nfs/dbraw/zinc/77/06/12/650770612.db2.gz HFDWRDIIQHJVIZ-HIFRSBDPSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC000923330654 643660847 /nfs/dbraw/zinc/66/08/47/643660847.db2.gz BVDUALNLVMQQCG-QGZVFWFLSA-N 2 1 273.424 2.246 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1N(C)C ZINC000923332986 643665755 /nfs/dbraw/zinc/66/57/55/643665755.db2.gz OBYDGNQNGOAEFZ-ARFHVFGLSA-N 2 1 273.424 2.230 20 10 CECDMP COc1cccc(O)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183826 644182723 /nfs/dbraw/zinc/18/27/23/644182723.db2.gz ZQXBQWNIDGBIKD-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000770352391 646381491 /nfs/dbraw/zinc/38/14/91/646381491.db2.gz NLDIEIVAAZUKMW-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000770352391 646381495 /nfs/dbraw/zinc/38/14/95/646381495.db2.gz NLDIEIVAAZUKMW-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000770352391 646381498 /nfs/dbraw/zinc/38/14/98/646381498.db2.gz NLDIEIVAAZUKMW-DZGCQCFKSA-N 2 1 290.407 2.317 20 10 CECDMP C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775691862 646981738 /nfs/dbraw/zinc/98/17/38/646981738.db2.gz HDFTULZJKDKSNY-HNNXBMFYSA-N 2 1 273.424 2.423 20 10 CECDMP CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(O)c1 ZINC000776256891 647043566 /nfs/dbraw/zinc/04/35/66/647043566.db2.gz HAMTYDUDDUUJOE-UHFFFAOYSA-N 2 1 276.380 2.142 20 10 CECDMP C[C@H]([NH2+]Cc1cccc(F)c1O)C1CC[NH2+]CC1 ZINC000873222499 649596946 /nfs/dbraw/zinc/59/69/46/649596946.db2.gz WSRHAQHQIYXSPQ-JTQLQIEISA-N 2 1 252.333 2.009 20 10 CECDMP COc1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1O ZINC000133338369 652621636 /nfs/dbraw/zinc/62/16/36/652621636.db2.gz MUJPZSWHKQUZNB-CYBMUJFWSA-N 2 1 266.385 2.206 20 10 CECDMP Oc1c(C[N@@H+]2CCC[NH2+]CC2)ccc2ccccc21 ZINC001204675659 804537008 /nfs/dbraw/zinc/53/70/08/804537008.db2.gz TZGMUCWODOIAQC-UHFFFAOYSA-N 2 1 256.349 2.341 20 10 CECDMP Oc1c(C[N@H+]2CCC[NH2+]CC2)ccc2ccccc21 ZINC001204675659 804537013 /nfs/dbraw/zinc/53/70/13/804537013.db2.gz TZGMUCWODOIAQC-UHFFFAOYSA-N 2 1 256.349 2.341 20 10 CECDMP [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000708480835 809929150 /nfs/dbraw/zinc/92/91/50/809929150.db2.gz MMVBBCIELRXWNJ-OLZOCXBDSA-N 2 1 282.334 2.387 20 10 CECDMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1O ZINC000397356398 813614527 /nfs/dbraw/zinc/61/45/27/813614527.db2.gz FQSAVTYNGXIMHO-DYEKYZERSA-N 2 1 278.396 2.206 20 10 CECDMP COc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397429070 813617791 /nfs/dbraw/zinc/61/77/91/813617791.db2.gz ZGPBRDAQVYQUNI-OBJOEFQTSA-N 2 1 278.396 2.206 20 10 CECDMP COc1cc(C[N@@H+](C)CC2CC2)cc(C[NH+](C)C)c1O ZINC001139253537 815996966 /nfs/dbraw/zinc/99/69/66/815996966.db2.gz XPWGCMLDVSIALO-UHFFFAOYSA-N 2 1 278.396 2.304 20 10 CECDMP Oc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300416028 261199548 /nfs/dbraw/zinc/19/95/48/261199548.db2.gz DNUTZQRRQBOVKY-KBPBESRZSA-N 2 1 264.344 2.248 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000037644007 521717750 /nfs/dbraw/zinc/71/77/50/521717750.db2.gz XEGHISNCAZAXPC-QWHCGFSZSA-N 2 1 278.396 2.393 20 10 CECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000273464232 522136229 /nfs/dbraw/zinc/13/62/29/522136229.db2.gz DIOUWAVHYZSHOJ-GFCCVEGCSA-N 2 1 294.395 2.171 20 10 CECDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000071407908 525344820 /nfs/dbraw/zinc/34/48/20/525344820.db2.gz GLBHOFRGTRJLLY-UHFFFAOYSA-N 2 1 260.381 2.417 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000290641806 525938478 /nfs/dbraw/zinc/93/84/78/525938478.db2.gz YMXYPIUKZUZQMM-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000290641806 525938484 /nfs/dbraw/zinc/93/84/84/525938484.db2.gz YMXYPIUKZUZQMM-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000290641806 525938493 /nfs/dbraw/zinc/93/84/93/525938493.db2.gz YMXYPIUKZUZQMM-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000112017185 526033620 /nfs/dbraw/zinc/03/36/20/526033620.db2.gz CUVLSCBCTBJFPJ-ZIAGYGMSSA-N 2 1 276.380 2.117 20 10 CECDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000236162972 625901217 /nfs/dbraw/zinc/90/12/17/625901217.db2.gz OGVVPKCXVYEGRN-ZDUSSCGKSA-N 2 1 252.333 2.235 20 10 CECDMP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000894313000 629343578 /nfs/dbraw/zinc/34/35/78/629343578.db2.gz QCUGOQAKEVVCED-GXTWGEPZSA-N 2 1 278.396 2.282 20 10 CECDMP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000894313000 629343581 /nfs/dbraw/zinc/34/35/81/629343581.db2.gz QCUGOQAKEVVCED-GXTWGEPZSA-N 2 1 278.396 2.282 20 10 CECDMP Cc1cccc(O)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000897620308 631831504 /nfs/dbraw/zinc/83/15/04/631831504.db2.gz MEEUODRZBYJFFD-CJNGLKHVSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897620308 631831509 /nfs/dbraw/zinc/83/15/09/631831509.db2.gz MEEUODRZBYJFFD-CJNGLKHVSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897620308 631831515 /nfs/dbraw/zinc/83/15/15/631831515.db2.gz MEEUODRZBYJFFD-CJNGLKHVSA-N 2 1 260.381 2.084 20 10 CECDMP Nc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000817956215 633799387 /nfs/dbraw/zinc/79/93/87/633799387.db2.gz TZCPJOUWFIERLR-JKSUJKDBSA-N 2 1 259.397 2.028 20 10 CECDMP COc1ccc(O)c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000817959148 633801690 /nfs/dbraw/zinc/80/16/90/633801690.db2.gz PTWPTJPZAROCHO-RYUDHWBXSA-N 2 1 266.385 2.425 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)c2c1c(F)ccc2O ZINC000817961313 633802927 /nfs/dbraw/zinc/80/29/27/633802927.db2.gz XCSPGXHTZJNTHN-FXAINCCUSA-N 2 1 264.344 2.407 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000817970446 633813528 /nfs/dbraw/zinc/81/35/28/633813528.db2.gz VQKVHVNDHREJHG-WCFLWFBJSA-N 2 1 292.379 2.099 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904419080 635631783 /nfs/dbraw/zinc/63/17/83/635631783.db2.gz LYASGWXSDVBRHI-JKSUJKDBSA-N 2 1 273.424 2.102 20 10 CECDMP CCOc1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1O ZINC000841088092 637672667 /nfs/dbraw/zinc/67/26/67/637672667.db2.gz WUUZNOXCNJJEBV-CYBMUJFWSA-N 2 1 266.385 2.254 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1C ZINC000841090791 637750509 /nfs/dbraw/zinc/75/05/09/637750509.db2.gz MYEHAWZNLCMKMN-CZUORRHYSA-N 2 1 262.397 2.426 20 10 CECDMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c(O)c1 ZINC000841037957 639628998 /nfs/dbraw/zinc/62/89/98/639628998.db2.gz DPXCHZAUIVLHIZ-CYBMUJFWSA-N 2 1 266.385 2.254 20 10 CECDMP C[C@@H](CCC[NH3+])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841080046 639648347 /nfs/dbraw/zinc/64/83/47/639648347.db2.gz NFTVXPFSOJFBIQ-QMMMGPOBSA-N 2 1 260.740 2.402 20 10 CECDMP CCOc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c(O)c1 ZINC000841089160 639653952 /nfs/dbraw/zinc/65/39/52/639653952.db2.gz FUGCQTNVQBXMGM-CYBMUJFWSA-N 2 1 264.369 2.023 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843120150 640289574 /nfs/dbraw/zinc/28/95/74/640289574.db2.gz CPBYOUMZMKEIFB-UHFFFAOYSA-N 2 1 260.381 2.276 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(O)c1 ZINC000843123456 640291222 /nfs/dbraw/zinc/29/12/22/640291222.db2.gz JOXDELFACMPMOH-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000252853764 641590856 /nfs/dbraw/zinc/59/08/56/641590856.db2.gz JIJQCWKKEAFYER-AEGPPILISA-N 2 1 290.407 2.350 20 10 CECDMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC000877546021 650780124 /nfs/dbraw/zinc/78/01/24/650780124.db2.gz NWUGCUSUEFTRPR-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000877546021 650780126 /nfs/dbraw/zinc/78/01/26/650780126.db2.gz NWUGCUSUEFTRPR-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000877546021 650780128 /nfs/dbraw/zinc/78/01/28/650780128.db2.gz NWUGCUSUEFTRPR-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128326172 651418977 /nfs/dbraw/zinc/41/89/77/651418977.db2.gz YGYRBHKHCCQPKH-JTQLQIEISA-N 2 1 254.761 2.087 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128326172 651418978 /nfs/dbraw/zinc/41/89/78/651418978.db2.gz YGYRBHKHCCQPKH-JTQLQIEISA-N 2 1 254.761 2.087 20 10 CECDMP CCOc1cccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1O ZINC000708995418 809939995 /nfs/dbraw/zinc/93/99/95/809939995.db2.gz DZNKWHJCTFVMSB-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP CCOc1cccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1O ZINC000708995418 809940000 /nfs/dbraw/zinc/94/00/00/809940000.db2.gz DZNKWHJCTFVMSB-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP COc1cc(C[N@@H+](C)C2CC2)cc(C[NH+](C)C)c1O ZINC001139253186 815996743 /nfs/dbraw/zinc/99/67/43/815996743.db2.gz PEJNVMYORPXFHR-UHFFFAOYSA-N 2 1 264.369 2.057 20 10 CECDMP COc1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc(C[NH+](C)C)c1O ZINC001139258515 815997452 /nfs/dbraw/zinc/99/74/52/815997452.db2.gz QFFJRPXQTOHYMX-SWLSCSKDSA-N 2 1 290.407 2.447 20 10 CECDMP C[N@H+](Cc1cc(F)ccc1O)C[C@@H]1CCC[NH+](C)C1 ZINC000179938736 368360536 /nfs/dbraw/zinc/36/05/36/368360536.db2.gz QBDLKILEQXGTSS-GFCCVEGCSA-N 2 1 266.360 2.305 20 10 CECDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000277406894 374508187 /nfs/dbraw/zinc/50/81/87/374508187.db2.gz IBUVLFCVACRFQW-CYBMUJFWSA-N 2 1 292.379 2.037 20 10 CECDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000277406894 374508192 /nfs/dbraw/zinc/50/81/92/374508192.db2.gz IBUVLFCVACRFQW-CYBMUJFWSA-N 2 1 292.379 2.037 20 10 CECDMP COc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000289258225 376391669 /nfs/dbraw/zinc/39/16/69/376391669.db2.gz FNELPXICAFQNOW-YIONKMFJSA-N 2 1 290.407 2.458 20 10 CECDMP COc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000289258225 376391674 /nfs/dbraw/zinc/39/16/74/376391674.db2.gz FNELPXICAFQNOW-YIONKMFJSA-N 2 1 290.407 2.458 20 10 CECDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000296253521 285397571 /nfs/dbraw/zinc/39/75/71/285397571.db2.gz BJYHTYLRPFJZGU-GXTWGEPZSA-N 2 1 283.375 2.428 20 10 CECDMP Cc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000124590451 394838952 /nfs/dbraw/zinc/83/89/52/394838952.db2.gz YKPRYUPXFKVFGA-UHFFFAOYSA-N 2 1 262.397 2.474 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000156093909 524746385 /nfs/dbraw/zinc/74/63/85/524746385.db2.gz CGXRPGNODYLISG-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000156093909 524746397 /nfs/dbraw/zinc/74/63/97/524746397.db2.gz CGXRPGNODYLISG-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000156093909 524746407 /nfs/dbraw/zinc/74/64/07/524746407.db2.gz CGXRPGNODYLISG-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CC[N@H+]1C ZINC000157680437 525443355 /nfs/dbraw/zinc/44/33/55/525443355.db2.gz ADBLIDFOSXVYOJ-CZUORRHYSA-N 2 1 273.424 2.251 20 10 CECDMP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000925692502 628510419 /nfs/dbraw/zinc/51/04/19/628510419.db2.gz LPCYNFBNMXSUTP-SUMWQHHRSA-N 2 1 269.392 2.489 20 10 CECDMP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000229104515 628924523 /nfs/dbraw/zinc/92/45/23/628924523.db2.gz GRZRMIIMDIFYGN-UHFFFAOYSA-N 2 1 272.776 2.096 20 10 CECDMP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000229104515 628924527 /nfs/dbraw/zinc/92/45/27/628924527.db2.gz GRZRMIIMDIFYGN-UHFFFAOYSA-N 2 1 272.776 2.096 20 10 CECDMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000322848867 632245391 /nfs/dbraw/zinc/24/53/91/632245391.db2.gz OISSSAUTMAODOZ-AGUYFDCRSA-N 2 1 276.380 2.116 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC000814178080 632800638 /nfs/dbraw/zinc/80/06/38/632800638.db2.gz BDIADBRDGCSSPR-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC000814178080 632800642 /nfs/dbraw/zinc/80/06/42/632800642.db2.gz BDIADBRDGCSSPR-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC000814178080 632800645 /nfs/dbraw/zinc/80/06/45/632800645.db2.gz BDIADBRDGCSSPR-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977751 633821910 /nfs/dbraw/zinc/82/19/10/633821910.db2.gz OCIQQWVBASRZCU-UPJWGTAASA-N 2 1 295.402 2.049 20 10 CECDMP Cc1cc(C[N@H+](C)C2(C[NH3+])CCOCC2)ccc1N(C)C ZINC000903809613 635283504 /nfs/dbraw/zinc/28/35/04/635283504.db2.gz HPGUGCSYARWQLS-UHFFFAOYSA-N 2 1 291.439 2.001 20 10 CECDMP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCOCC2)ccc1N(C)C ZINC000903809613 635283509 /nfs/dbraw/zinc/28/35/09/635283509.db2.gz HPGUGCSYARWQLS-UHFFFAOYSA-N 2 1 291.439 2.001 20 10 CECDMP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000904405118 635612189 /nfs/dbraw/zinc/61/21/89/635612189.db2.gz DLNNLZDHFOCRPL-SNVBAGLBSA-N 2 1 299.212 2.325 20 10 CECDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000904405118 635612194 /nfs/dbraw/zinc/61/21/94/635612194.db2.gz DLNNLZDHFOCRPL-SNVBAGLBSA-N 2 1 299.212 2.325 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC000904410131 635616528 /nfs/dbraw/zinc/61/65/28/635616528.db2.gz BETZLCUHUNJKAY-QWHCGFSZSA-N 2 1 278.396 2.208 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904410139 635617173 /nfs/dbraw/zinc/61/71/73/635617173.db2.gz BHTQMDDURJWWJP-TZMCWYRMSA-N 2 1 279.403 2.308 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000840915581 639584349 /nfs/dbraw/zinc/58/43/49/639584349.db2.gz RETFAQDWXMBZCV-OAHLLOKOSA-N 2 1 275.440 2.445 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C[NH3+])c1O ZINC000229104385 639676766 /nfs/dbraw/zinc/67/67/66/639676766.db2.gz MDAJUURFWBPAJF-UHFFFAOYSA-N 2 1 286.803 2.471 20 10 CECDMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(O)c1 ZINC000843045862 640251554 /nfs/dbraw/zinc/25/15/54/640251554.db2.gz LHTNHQJKIBBPQM-DOMZBBRYSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(O)c1 ZINC000843045862 640251556 /nfs/dbraw/zinc/25/15/56/640251556.db2.gz LHTNHQJKIBBPQM-DOMZBBRYSA-N 2 1 278.396 2.493 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843057379 640259724 /nfs/dbraw/zinc/25/97/24/640259724.db2.gz JSRZCHFPANMWJY-HIFRSBDPSA-N 2 1 261.413 2.230 20 10 CECDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000843123512 640290586 /nfs/dbraw/zinc/29/05/86/640290586.db2.gz LCPRLXVBDZRNOU-ZDUSSCGKSA-N 2 1 294.395 2.113 20 10 CECDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000845996753 641146682 /nfs/dbraw/zinc/14/66/82/641146682.db2.gz RGNWJVMNSIZIJY-UHFFFAOYSA-N 2 1 294.395 2.188 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000070148669 641636876 /nfs/dbraw/zinc/63/68/76/641636876.db2.gz RKDGBWOUVXVBRY-CYBMUJFWSA-N 2 1 264.369 2.104 20 10 CECDMP CCOc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1O ZINC000070169570 641639537 /nfs/dbraw/zinc/63/95/37/641639537.db2.gz ADZOBZDLSFJCRC-CYBMUJFWSA-N 2 1 278.396 2.352 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1N(C)C ZINC000923332990 643665867 /nfs/dbraw/zinc/66/58/67/643665867.db2.gz OBYDGNQNGOAEFZ-JYJNAYRXSA-N 2 1 273.424 2.230 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923392225 643691430 /nfs/dbraw/zinc/69/14/30/643691430.db2.gz ITRCPSYPQKBMEU-HIFRSBDPSA-N 2 1 261.413 2.373 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923493313 643737422 /nfs/dbraw/zinc/73/74/22/643737422.db2.gz RYMBSMZIDFZZHG-ZBFHGGJFSA-N 2 1 275.440 2.478 20 10 CECDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740973 650883843 /nfs/dbraw/zinc/88/38/43/650883843.db2.gz LQCKYKDOHHGJFE-FZMZJTMJSA-N 2 1 264.344 2.057 20 10 CECDMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740973 650883848 /nfs/dbraw/zinc/88/38/48/650883848.db2.gz LQCKYKDOHHGJFE-FZMZJTMJSA-N 2 1 264.344 2.057 20 10 CECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740973 650883853 /nfs/dbraw/zinc/88/38/53/650883853.db2.gz LQCKYKDOHHGJFE-FZMZJTMJSA-N 2 1 264.344 2.057 20 10 CECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740973 650883857 /nfs/dbraw/zinc/88/38/57/650883857.db2.gz LQCKYKDOHHGJFE-FZMZJTMJSA-N 2 1 264.344 2.057 20 10 CECDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000112017209 644014973 /nfs/dbraw/zinc/01/49/73/644014973.db2.gz KPODXWJHSJXVKY-UONOGXRCSA-N 2 1 276.380 2.117 20 10 CECDMP COc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000872725539 649470179 /nfs/dbraw/zinc/47/01/79/649470179.db2.gz UDNYXLWWAJTPSP-DZGCQCFKSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000872725539 649470181 /nfs/dbraw/zinc/47/01/81/649470181.db2.gz UDNYXLWWAJTPSP-DZGCQCFKSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000872725539 649470182 /nfs/dbraw/zinc/47/01/82/649470182.db2.gz UDNYXLWWAJTPSP-DZGCQCFKSA-N 2 1 290.407 2.235 20 10 CECDMP CCOc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1O ZINC000132211607 652505059 /nfs/dbraw/zinc/50/50/59/652505059.db2.gz AABJKFBVCZOIOI-UHFFFAOYSA-N 2 1 278.396 2.317 20 10 CECDMP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001204790472 806001530 /nfs/dbraw/zinc/00/15/30/806001530.db2.gz JUIGZXMTVQGPJN-MRXNPFEDSA-N 2 1 256.349 2.469 20 10 CECDMP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001204790472 806001540 /nfs/dbraw/zinc/00/15/40/806001540.db2.gz JUIGZXMTVQGPJN-MRXNPFEDSA-N 2 1 256.349 2.469 20 10 CECDMP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001118018309 814976575 /nfs/dbraw/zinc/97/65/75/814976575.db2.gz FXYMOUKMYMEBKF-INIZCTEOSA-N 2 1 259.397 2.114 20 10 CECDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000700787819 809347608 /nfs/dbraw/zinc/34/76/08/809347608.db2.gz NSHYAQPZHATIFH-GFCCVEGCSA-N 2 1 266.360 2.353 20 10 CECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1C(F)(F)F ZINC000704353293 809730511 /nfs/dbraw/zinc/73/05/11/809730511.db2.gz YFWLSSSFQXNQQY-VXGBXAGGSA-N 2 1 288.313 2.351 20 10 CECDMP COc1cccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1O ZINC000709011792 809939743 /nfs/dbraw/zinc/93/97/43/809939743.db2.gz LLTFUGIKTWQLSW-CYBMUJFWSA-N 2 1 264.369 2.104 20 10 CECDMP COc1cccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1O ZINC000709011792 809939748 /nfs/dbraw/zinc/93/97/48/809939748.db2.gz LLTFUGIKTWQLSW-CYBMUJFWSA-N 2 1 264.369 2.104 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000709030706 809940570 /nfs/dbraw/zinc/94/05/70/809940570.db2.gz HHOSRDUJRRCSNS-HNNXBMFYSA-N 2 1 261.413 2.456 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000709030706 809940575 /nfs/dbraw/zinc/94/05/75/809940575.db2.gz HHOSRDUJRRCSNS-HNNXBMFYSA-N 2 1 261.413 2.456 20 10 CECDMP CCc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000821984691 810576919 /nfs/dbraw/zinc/57/69/19/810576919.db2.gz YGMQYRKXPBFAKZ-UHFFFAOYSA-N 2 1 250.386 2.338 20 10 CECDMP Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC001169111354 811403466 /nfs/dbraw/zinc/40/34/66/811403466.db2.gz OVWCMGBWMAGQGO-QDMKHBRRSA-N 2 1 260.381 2.415 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000394395636 813390860 /nfs/dbraw/zinc/39/08/60/813390860.db2.gz BLWRHVDMHPZEHX-HNNXBMFYSA-N 2 1 296.798 2.240 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000394395636 813390868 /nfs/dbraw/zinc/39/08/68/813390868.db2.gz BLWRHVDMHPZEHX-HNNXBMFYSA-N 2 1 296.798 2.240 20 10 CECDMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1N(C)C ZINC001139671591 816075623 /nfs/dbraw/zinc/07/56/23/816075623.db2.gz YKYMTVNBRONUDQ-SJORKVTESA-N 2 1 287.451 2.445 20 10 CECDMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1N(C)C ZINC001139671591 816075631 /nfs/dbraw/zinc/07/56/31/816075631.db2.gz YKYMTVNBRONUDQ-SJORKVTESA-N 2 1 287.451 2.445 20 10 CECDMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1N(C)C ZINC001139671591 816075639 /nfs/dbraw/zinc/07/56/39/816075639.db2.gz YKYMTVNBRONUDQ-SJORKVTESA-N 2 1 287.451 2.445 20 10 CECDMP COCC[N@@H+](Cc1cc(F)ccc1O)C1CCN(C)CC1 ZINC001140055577 816179075 /nfs/dbraw/zinc/17/90/75/816179075.db2.gz LMZXUGGBFTUDJO-UHFFFAOYSA-N 2 1 296.386 2.074 20 10 CECDMP COCCN(Cc1cc(F)ccc1O)C1CC[NH+](C)CC1 ZINC001140055577 816179078 /nfs/dbraw/zinc/17/90/78/816179078.db2.gz LMZXUGGBFTUDJO-UHFFFAOYSA-N 2 1 296.386 2.074 20 10 CECDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2O)C1 ZINC001206337332 816773631 /nfs/dbraw/zinc/77/36/31/816773631.db2.gz UBXVEPGSNXOZSL-AWEZNQCLSA-N 2 1 252.333 2.045 20 10 CECDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1O ZINC000374890904 374635624 /nfs/dbraw/zinc/63/56/24/374635624.db2.gz FEXGDYVJEXMTIW-VYDXJSESSA-N 2 1 290.407 2.076 20 10 CECDMP CN1CCc2cc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000366751922 130092749 /nfs/dbraw/zinc/09/27/49/130092749.db2.gz QFSZVDHRVKIEII-OAHLLOKOSA-N 2 1 296.418 2.228 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2O)C1 ZINC000093770584 394668513 /nfs/dbraw/zinc/66/85/13/394668513.db2.gz YQYUJWOLBHSIRM-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093770584 394668516 /nfs/dbraw/zinc/66/85/16/394668516.db2.gz YQYUJWOLBHSIRM-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000093770584 394668518 /nfs/dbraw/zinc/66/85/18/394668518.db2.gz YQYUJWOLBHSIRM-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1O ZINC000091666381 260266419 /nfs/dbraw/zinc/26/64/19/260266419.db2.gz XLXYGFSLQLLGIG-YCPHGPKFSA-N 2 1 290.407 2.296 20 10 CECDMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1O ZINC000091666381 260266420 /nfs/dbraw/zinc/26/64/20/260266420.db2.gz XLXYGFSLQLLGIG-YCPHGPKFSA-N 2 1 290.407 2.296 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092253844 327191038 /nfs/dbraw/zinc/19/10/38/327191038.db2.gz ZNENIVZODXOCIT-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(O)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253844 327191035 /nfs/dbraw/zinc/19/10/35/327191035.db2.gz ZNENIVZODXOCIT-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000092253844 327191036 /nfs/dbraw/zinc/19/10/36/327191036.db2.gz ZNENIVZODXOCIT-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP COc1cccc(O)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000809753309 632140463 /nfs/dbraw/zinc/14/04/63/632140463.db2.gz QJKYVKXYFOJVSN-UHFFFAOYSA-N 2 1 289.379 2.428 20 10 CECDMP COc1cccc(O)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000809753309 632140466 /nfs/dbraw/zinc/14/04/66/632140466.db2.gz QJKYVKXYFOJVSN-UHFFFAOYSA-N 2 1 289.379 2.428 20 10 CECDMP Cc1ccncc1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841042713 632322792 /nfs/dbraw/zinc/32/27/92/632322792.db2.gz MQSNNCXPXVZFCI-KRWDZBQOSA-N 2 1 284.407 2.246 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000817984126 633827450 /nfs/dbraw/zinc/82/74/50/633827450.db2.gz NQIRRRJKZGPKPT-NEPJUHHUSA-N 2 1 264.369 2.194 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2O)C1 ZINC000876779669 650429180 /nfs/dbraw/zinc/42/91/80/650429180.db2.gz BHXWTMAAIABPJU-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876779669 650429182 /nfs/dbraw/zinc/42/91/82/650429182.db2.gz BHXWTMAAIABPJU-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876779669 650429185 /nfs/dbraw/zinc/42/91/85/650429185.db2.gz BHXWTMAAIABPJU-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000841028985 639620931 /nfs/dbraw/zinc/62/09/31/639620931.db2.gz DCDGIVANLNZUNY-GXFFZTMASA-N 2 1 252.333 2.138 20 10 CECDMP CCOCc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OC ZINC000841079554 639648579 /nfs/dbraw/zinc/64/85/79/639648579.db2.gz KUXUJAQRNYQZTG-NWDGAFQWSA-N 2 1 266.385 2.057 20 10 CECDMP Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841087125 639651530 /nfs/dbraw/zinc/65/15/30/639651530.db2.gz NBADVLLGPVCQSA-UKRRQHHQSA-N 2 1 260.381 2.356 20 10 CECDMP [NH3+]C[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000841087496 639651865 /nfs/dbraw/zinc/65/18/65/639651865.db2.gz QJZNRKOSDLMXGY-ZDUSSCGKSA-N 2 1 252.333 2.138 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC000841088402 639652433 /nfs/dbraw/zinc/65/24/33/639652433.db2.gz VOAKGEIMBIVIIO-OAHLLOKOSA-N 2 1 279.403 2.499 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000843044650 640250167 /nfs/dbraw/zinc/25/01/67/640250167.db2.gz DOROVGJFKBZZIP-IUODEOHRSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000843044650 640250169 /nfs/dbraw/zinc/25/01/69/640250169.db2.gz DOROVGJFKBZZIP-IUODEOHRSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(O)c1 ZINC000843045868 640251534 /nfs/dbraw/zinc/25/15/34/640251534.db2.gz LHTNHQJKIBBPQM-WFASDCNBSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(O)c1 ZINC000843045868 640251536 /nfs/dbraw/zinc/25/15/36/640251536.db2.gz LHTNHQJKIBBPQM-WFASDCNBSA-N 2 1 278.396 2.493 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843057846 640259653 /nfs/dbraw/zinc/25/96/53/640259653.db2.gz MMGDHFYZDQVZOU-KGLIPLIRSA-N 2 1 261.413 2.230 20 10 CECDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843057357 640260349 /nfs/dbraw/zinc/26/03/49/640260349.db2.gz JFMDCUYRDWUUIP-KBSCQGNFSA-N 2 1 273.424 2.435 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000843060219 640262547 /nfs/dbraw/zinc/26/25/47/640262547.db2.gz YEJMOBGIXJVJQV-APHBMKBZSA-N 2 1 290.407 2.350 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125437 640292186 /nfs/dbraw/zinc/29/21/86/640292186.db2.gz WNVLESYWUYWOOI-OLZOCXBDSA-N 2 1 278.371 2.353 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125437 640292191 /nfs/dbraw/zinc/29/21/91/640292191.db2.gz WNVLESYWUYWOOI-OLZOCXBDSA-N 2 1 278.371 2.353 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000843128342 640295142 /nfs/dbraw/zinc/29/51/42/640295142.db2.gz WIDCRMUNAPDCCJ-OKILXGFUSA-N 2 1 290.407 2.222 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000844902344 640860166 /nfs/dbraw/zinc/86/01/66/640860166.db2.gz PUYMREAKAGDPSU-KRWDZBQOSA-N 2 1 291.439 2.063 20 10 CECDMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1O ZINC000846138602 641197986 /nfs/dbraw/zinc/19/79/86/641197986.db2.gz WQVWFYWPNOIDFP-LLVKDONJSA-N 2 1 264.369 2.146 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000846703815 641403739 /nfs/dbraw/zinc/40/37/39/641403739.db2.gz QLINSTAQXHMYMC-HIFRSBDPSA-N 2 1 261.413 2.373 20 10 CECDMP Cc1cccc(O)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000877545962 650779863 /nfs/dbraw/zinc/77/98/63/650779863.db2.gz NDHJRPZMJWXDPI-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000877545962 650779865 /nfs/dbraw/zinc/77/98/65/650779865.db2.gz NDHJRPZMJWXDPI-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000877545962 650779866 /nfs/dbraw/zinc/77/98/66/650779866.db2.gz NDHJRPZMJWXDPI-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP C[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)[NH+](C)C ZINC000922255629 642985853 /nfs/dbraw/zinc/98/58/53/642985853.db2.gz VKRRESOBHMUEPV-CYBMUJFWSA-N 2 1 262.397 2.441 20 10 CECDMP CCOc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c(O)c1 ZINC000873216346 649593466 /nfs/dbraw/zinc/59/34/66/649593466.db2.gz QRFAVMSCSHYVNO-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c(O)c1 ZINC000873216346 649593468 /nfs/dbraw/zinc/59/34/68/649593468.db2.gz QRFAVMSCSHYVNO-CQSZACIVSA-N 2 1 278.396 2.494 20 10 CECDMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001140468606 802964607 /nfs/dbraw/zinc/96/46/07/802964607.db2.gz QHMQJTMKJKTZLQ-BETUJISGSA-N 2 1 280.799 2.429 20 10 CECDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(C)[NH3+] ZINC001118380175 815008197 /nfs/dbraw/zinc/00/81/97/815008197.db2.gz RQKIOIVMHZBJRN-UHFFFAOYSA-N 2 1 261.413 2.456 20 10 CECDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(C)[NH3+] ZINC001118380175 815008203 /nfs/dbraw/zinc/00/82/03/815008203.db2.gz RQKIOIVMHZBJRN-UHFFFAOYSA-N 2 1 261.413 2.456 20 10 CECDMP C[N@@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155797 811417226 /nfs/dbraw/zinc/41/72/26/811417226.db2.gz VHXQWNPDKMTENG-QDMKHBRRSA-N 2 1 260.381 2.449 20 10 CECDMP C[NH+](Cc1ccccc1O)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155797 811417232 /nfs/dbraw/zinc/41/72/32/811417232.db2.gz VHXQWNPDKMTENG-QDMKHBRRSA-N 2 1 260.381 2.449 20 10 CECDMP C[NH+](Cc1ccccc1O)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155797 811417234 /nfs/dbraw/zinc/41/72/34/811417234.db2.gz VHXQWNPDKMTENG-QDMKHBRRSA-N 2 1 260.381 2.449 20 10 CECDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3O)CC[C@H]21 ZINC000228183307 370398992 /nfs/dbraw/zinc/39/89/92/370398992.db2.gz QLPCLSCAAFVWKM-DZGCQCFKSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21 ZINC000228183307 370398997 /nfs/dbraw/zinc/39/89/97/370398997.db2.gz QLPCLSCAAFVWKM-DZGCQCFKSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC000228183307 370399001 /nfs/dbraw/zinc/39/90/01/370399001.db2.gz QLPCLSCAAFVWKM-DZGCQCFKSA-N 2 1 260.381 2.308 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)ccc1O ZINC000230744837 370466299 /nfs/dbraw/zinc/46/62/99/370466299.db2.gz SDPRDIOWWSPLOH-UHFFFAOYSA-N 2 1 250.386 2.474 20 10 CECDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1O ZINC000281218925 375364223 /nfs/dbraw/zinc/36/42/23/375364223.db2.gz KGWKKVIBGBDYMB-UHFFFAOYSA-N 2 1 266.360 2.449 20 10 CECDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1O ZINC000281218925 375364228 /nfs/dbraw/zinc/36/42/28/375364228.db2.gz KGWKKVIBGBDYMB-UHFFFAOYSA-N 2 1 266.360 2.449 20 10 CECDMP Oc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000179578554 395196912 /nfs/dbraw/zinc/19/69/12/395196912.db2.gz RJSOYCUJRLRVGB-AWEZNQCLSA-N 2 1 260.381 2.310 20 10 CECDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1O ZINC000183496464 395257955 /nfs/dbraw/zinc/25/79/55/395257955.db2.gz LUBBUOAGVUYMCL-HNNXBMFYSA-N 2 1 291.439 2.070 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000742375639 623423513 /nfs/dbraw/zinc/42/35/13/623423513.db2.gz SYJDIBKYHXZXSP-OCCSQVGLSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000742375639 623423516 /nfs/dbraw/zinc/42/35/16/623423516.db2.gz SYJDIBKYHXZXSP-OCCSQVGLSA-N 2 1 278.396 2.363 20 10 CECDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000824948764 635530470 /nfs/dbraw/zinc/53/04/70/635530470.db2.gz GZDDCABDAKFLHE-RYUDHWBXSA-N 2 1 266.772 2.005 20 10 CECDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000808715819 632005632 /nfs/dbraw/zinc/00/56/32/632005632.db2.gz XNQXPRRAQAQMLA-XHDPSFHLSA-N 2 1 298.814 2.071 20 10 CECDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000808715819 632005638 /nfs/dbraw/zinc/00/56/38/632005638.db2.gz XNQXPRRAQAQMLA-XHDPSFHLSA-N 2 1 298.814 2.071 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960151 635369162 /nfs/dbraw/zinc/36/91/62/635369162.db2.gz YBSAZTRCQFASBA-INIZCTEOSA-N 2 1 278.371 2.497 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960151 635369171 /nfs/dbraw/zinc/36/91/71/635369171.db2.gz YBSAZTRCQFASBA-INIZCTEOSA-N 2 1 278.371 2.497 20 10 CECDMP CN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955486 635389688 /nfs/dbraw/zinc/38/96/88/635389688.db2.gz STIANXNHTKXPCP-CYBMUJFWSA-N 2 1 283.366 2.087 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1C[NH3+] ZINC000904410137 635617050 /nfs/dbraw/zinc/61/70/50/635617050.db2.gz BHTQMDDURJWWJP-JSGCOSHPSA-N 2 1 279.403 2.308 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087470 637566115 /nfs/dbraw/zinc/56/61/15/637566115.db2.gz OECNJXWKJWMIEP-DZGCQCFKSA-N 2 1 290.407 2.365 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000840921215 639587081 /nfs/dbraw/zinc/58/70/81/639587081.db2.gz WETPAANLQGEIET-PHIMTYICSA-N 2 1 266.772 2.005 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000840921215 639587085 /nfs/dbraw/zinc/58/70/85/639587085.db2.gz WETPAANLQGEIET-PHIMTYICSA-N 2 1 266.772 2.005 20 10 CECDMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1C ZINC000841037649 639628559 /nfs/dbraw/zinc/62/85/59/639628559.db2.gz BXUNBNFGLCRBRH-CQSZACIVSA-N 2 1 250.386 2.467 20 10 CECDMP CN(C)c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000841041057 639629997 /nfs/dbraw/zinc/62/99/97/639629997.db2.gz BMMCJRCNLRWHSS-UHFFFAOYSA-N 2 1 298.434 2.417 20 10 CECDMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1C ZINC000841087329 639652399 /nfs/dbraw/zinc/65/23/99/639652399.db2.gz JWJYECRKPUHHGQ-CQSZACIVSA-N 2 1 250.386 2.467 20 10 CECDMP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000063191263 639837935 /nfs/dbraw/zinc/83/79/35/639837935.db2.gz XHYLCCOROGYTHP-YPMHNXCESA-N 2 1 264.369 2.103 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000063191263 639837937 /nfs/dbraw/zinc/83/79/37/639837937.db2.gz XHYLCCOROGYTHP-YPMHNXCESA-N 2 1 264.369 2.103 20 10 CECDMP Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188446 639838156 /nfs/dbraw/zinc/83/81/56/639838156.db2.gz VIBSKIJIGGZIKY-LSDHHAIUSA-N 2 1 260.381 2.499 20 10 CECDMP Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188446 639838162 /nfs/dbraw/zinc/83/81/62/639838162.db2.gz VIBSKIJIGGZIKY-LSDHHAIUSA-N 2 1 260.381 2.499 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843051475 640255296 /nfs/dbraw/zinc/25/52/96/640255296.db2.gz JEGYIHUOXRWQDR-CHWSQXEVSA-N 2 1 278.396 2.350 20 10 CECDMP C[NH2+]CCC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843057355 640259585 /nfs/dbraw/zinc/25/95/85/640259585.db2.gz IYDPVNKYFRKKHM-UHFFFAOYSA-N 2 1 266.360 2.353 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125599 640292211 /nfs/dbraw/zinc/29/22/11/640292211.db2.gz YMDTWIUXFBFCSA-QWHCGFSZSA-N 2 1 278.371 2.353 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000846698514 641400561 /nfs/dbraw/zinc/40/05/61/641400561.db2.gz IHEOOZHPALTUAG-AAEUAGOBSA-N 2 1 264.369 2.103 20 10 CECDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000846698206 641400707 /nfs/dbraw/zinc/40/07/07/641400707.db2.gz CHBNLGIMFDWPGY-AAEUAGOBSA-N 2 1 265.376 2.203 20 10 CECDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000846698206 641400714 /nfs/dbraw/zinc/40/07/14/641400714.db2.gz CHBNLGIMFDWPGY-AAEUAGOBSA-N 2 1 265.376 2.203 20 10 CECDMP CN(C)c1ccc(C[NH2+]CCC[NH+]2CCC2)cc1F ZINC000848546046 642046469 /nfs/dbraw/zinc/04/64/69/642046469.db2.gz QHEALEJBWYHOBO-UHFFFAOYSA-N 2 1 265.376 2.077 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1N(C)C ZINC000923358689 643677372 /nfs/dbraw/zinc/67/73/72/643677372.db2.gz KNZWGMMFQFLJTA-HZPDHXFCSA-N 2 1 273.424 2.245 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1N(C)C ZINC000923478412 643729098 /nfs/dbraw/zinc/72/90/98/643729098.db2.gz BRXSPIHQPRTXDX-CQSZACIVSA-N 2 1 261.413 2.232 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000769473531 646274917 /nfs/dbraw/zinc/27/49/17/646274917.db2.gz OWWKYHMTGOXERM-CQSZACIVSA-N 2 1 290.407 2.319 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770395635 646386850 /nfs/dbraw/zinc/38/68/50/646386850.db2.gz TVYBNTLTEOGYHS-IYBDPMFKSA-N 2 1 273.424 2.184 20 10 CECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725574 649469866 /nfs/dbraw/zinc/46/98/66/649469866.db2.gz UOQUZFBPQWCJPC-NVXWUHKLSA-N 2 1 286.419 2.407 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725574 649469870 /nfs/dbraw/zinc/46/98/70/649469870.db2.gz UOQUZFBPQWCJPC-NVXWUHKLSA-N 2 1 286.419 2.407 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]21 ZINC000872725574 649469873 /nfs/dbraw/zinc/46/98/73/649469873.db2.gz UOQUZFBPQWCJPC-NVXWUHKLSA-N 2 1 286.419 2.407 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000873216211 649593110 /nfs/dbraw/zinc/59/31/10/649593110.db2.gz LQYAOSLIZOXJRX-MWLCHTKSSA-N 2 1 299.212 2.181 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229278 649600351 /nfs/dbraw/zinc/60/03/51/649600351.db2.gz RJUMWLODTFZYPM-DOTOQJQBSA-N 2 1 273.424 2.102 20 10 CECDMP C[C@]1([NH3+])CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001204790471 806002125 /nfs/dbraw/zinc/00/21/25/806002125.db2.gz JUIGZXMTVQGPJN-INIZCTEOSA-N 2 1 256.349 2.469 20 10 CECDMP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001204790471 806002130 /nfs/dbraw/zinc/00/21/30/806002130.db2.gz JUIGZXMTVQGPJN-INIZCTEOSA-N 2 1 256.349 2.469 20 10 CECDMP [NH3+][C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC001205094679 807581332 /nfs/dbraw/zinc/58/13/32/807581332.db2.gz NXLCMUWNVLGKJL-LBPRGKRZSA-N 2 1 299.212 2.468 20 10 CECDMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001205094679 807581335 /nfs/dbraw/zinc/58/13/35/807581335.db2.gz NXLCMUWNVLGKJL-LBPRGKRZSA-N 2 1 299.212 2.468 20 10 CECDMP Cc1cc(F)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205124323 807720794 /nfs/dbraw/zinc/72/07/94/807720794.db2.gz OHEOGNGUIFUAQO-ZDUSSCGKSA-N 2 1 252.333 2.153 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235130332 807779763 /nfs/dbraw/zinc/77/97/63/807779763.db2.gz STMGFYUTYZSAQP-MRXNPFEDSA-N 2 1 260.381 2.419 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235130332 807779768 /nfs/dbraw/zinc/77/97/68/807779768.db2.gz STMGFYUTYZSAQP-MRXNPFEDSA-N 2 1 260.381 2.419 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC001172101607 815281474 /nfs/dbraw/zinc/28/14/74/815281474.db2.gz GAIMXRSNNPSKAB-QDMKHBRRSA-N 2 1 260.381 2.497 20 10 CECDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000392248005 813299463 /nfs/dbraw/zinc/29/94/63/813299463.db2.gz RREZQRCDPMSUSI-CQSZACIVSA-N 2 1 258.365 2.231 20 10 CECDMP CN1CCCc2cc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)ccc21 ZINC001138355640 815775445 /nfs/dbraw/zinc/77/54/45/815775445.db2.gz VUVIBXMJCYPPAY-MSOLQXFVSA-N 2 1 299.462 2.453 20 10 CECDMP CN1CCCc2cc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)ccc21 ZINC001138355640 815775447 /nfs/dbraw/zinc/77/54/47/815775447.db2.gz VUVIBXMJCYPPAY-MSOLQXFVSA-N 2 1 299.462 2.453 20 10 CECDMP CN1CCCc2cc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)ccc21 ZINC001138355640 815775452 /nfs/dbraw/zinc/77/54/52/815775452.db2.gz VUVIBXMJCYPPAY-MSOLQXFVSA-N 2 1 299.462 2.453 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000180423787 368381976 /nfs/dbraw/zinc/38/19/76/368381976.db2.gz VWSSZXSXLHNZPL-JSGCOSHPSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000180423787 368381979 /nfs/dbraw/zinc/38/19/79/368381979.db2.gz VWSSZXSXLHNZPL-JSGCOSHPSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000180423787 368381984 /nfs/dbraw/zinc/38/19/84/368381984.db2.gz VWSSZXSXLHNZPL-JSGCOSHPSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000180423787 368381986 /nfs/dbraw/zinc/38/19/86/368381986.db2.gz VWSSZXSXLHNZPL-JSGCOSHPSA-N 2 1 278.396 2.315 20 10 CECDMP [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371526820 373911967 /nfs/dbraw/zinc/91/19/67/373911967.db2.gz FXFOSJVIYPCMQN-FMKPAKJESA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371526820 373911975 /nfs/dbraw/zinc/91/19/75/373911975.db2.gz FXFOSJVIYPCMQN-FMKPAKJESA-N 2 1 290.382 2.447 20 10 CECDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371526820 373911982 /nfs/dbraw/zinc/91/19/82/373911982.db2.gz FXFOSJVIYPCMQN-FMKPAKJESA-N 2 1 290.382 2.447 20 10 CECDMP Cc1cc(Cl)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1O ZINC000194537204 395440628 /nfs/dbraw/zinc/44/06/28/395440628.db2.gz JKGIRSVGHPIUEO-BETUJISGSA-N 2 1 280.799 2.347 20 10 CECDMP Cc1cc(Cl)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000194537204 395440630 /nfs/dbraw/zinc/44/06/30/395440630.db2.gz JKGIRSVGHPIUEO-BETUJISGSA-N 2 1 280.799 2.347 20 10 CECDMP Cc1cc(Cl)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC000194537204 395440633 /nfs/dbraw/zinc/44/06/33/395440633.db2.gz JKGIRSVGHPIUEO-BETUJISGSA-N 2 1 280.799 2.347 20 10 CECDMP Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000194537204 395440636 /nfs/dbraw/zinc/44/06/36/395440636.db2.gz JKGIRSVGHPIUEO-BETUJISGSA-N 2 1 280.799 2.347 20 10 CECDMP Cc1cc(Cl)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000194537204 395440639 /nfs/dbraw/zinc/44/06/39/395440639.db2.gz JKGIRSVGHPIUEO-BETUJISGSA-N 2 1 280.799 2.347 20 10 CECDMP Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916419 173851432 /nfs/dbraw/zinc/85/14/32/173851432.db2.gz VMKYLIBMLAUUEM-HIFRSBDPSA-N 2 1 260.381 2.356 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000091666276 260266502 /nfs/dbraw/zinc/26/65/02/260266502.db2.gz AQEPXKZNEPWJBO-ZNMIVQPWSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000091666276 260266504 /nfs/dbraw/zinc/26/65/04/260266504.db2.gz AQEPXKZNEPWJBO-ZNMIVQPWSA-N 2 1 290.407 2.214 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295928560 276222168 /nfs/dbraw/zinc/22/21/68/276222168.db2.gz KBDRDXVWLSPIBH-OCCSQVGLSA-N 2 1 260.381 2.311 20 10 CECDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000368734744 524915237 /nfs/dbraw/zinc/91/52/37/524915237.db2.gz ZYOOVWCUZOWFKV-CPUCHLNUSA-N 2 1 287.451 2.497 20 10 CECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000742207082 575010708 /nfs/dbraw/zinc/01/07/08/575010708.db2.gz OXKYVENEXZNXQK-BBRMVZONSA-N 2 1 274.408 2.441 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000300417246 622877129 /nfs/dbraw/zinc/87/71/29/622877129.db2.gz NPPRPOHLZYJXQS-IUODEOHRSA-N 2 1 278.371 2.495 20 10 CECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000090720250 623544142 /nfs/dbraw/zinc/54/41/42/623544142.db2.gz FNDIGJYMDPSVHM-SWLSCSKDSA-N 2 1 260.381 2.194 20 10 CECDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000236262129 628975245 /nfs/dbraw/zinc/97/52/45/628975245.db2.gz XNLNWSWFIXQOEL-LLVKDONJSA-N 2 1 252.333 2.092 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000904421306 635633442 /nfs/dbraw/zinc/63/34/42/635633442.db2.gz XOXYJFXDZJILEX-DZGCQCFKSA-N 2 1 260.381 2.050 20 10 CECDMP COc1cc(Cl)cc(C[NH2+]C[C@H]([NH3+])C(C)C)c1O ZINC000841031006 631815170 /nfs/dbraw/zinc/81/51/70/631815170.db2.gz QQUGATXJRQEIJM-NSHDSACASA-N 2 1 272.776 2.127 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC000898308102 632166379 /nfs/dbraw/zinc/16/63/79/632166379.db2.gz OACWHTIZEVQCGY-UHFFFAOYSA-N 2 1 280.412 2.420 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC000898308102 632166383 /nfs/dbraw/zinc/16/63/83/632166383.db2.gz OACWHTIZEVQCGY-UHFFFAOYSA-N 2 1 280.412 2.420 20 10 CECDMP CCOc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1O ZINC000817866325 633747530 /nfs/dbraw/zinc/74/75/30/633747530.db2.gz YOAYCYKTHXPYSY-UHFFFAOYSA-N 2 1 276.380 2.119 20 10 CECDMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1O ZINC000817945957 633792234 /nfs/dbraw/zinc/79/22/34/633792234.db2.gz OHYFCOLFXNSAQK-WDEREUQCSA-N 2 1 252.333 2.182 20 10 CECDMP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817955006 633798980 /nfs/dbraw/zinc/79/89/80/633798980.db2.gz OFRHNLUFYNEXMY-WDEREUQCSA-N 2 1 252.333 2.182 20 10 CECDMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1O ZINC000817969763 633812022 /nfs/dbraw/zinc/81/20/22/633812022.db2.gz ZLZQUPNUVPISOF-ZYHUDNBSSA-N 2 1 252.333 2.324 20 10 CECDMP COC[C@]1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCC[NH2+]1 ZINC000817973682 633817416 /nfs/dbraw/zinc/81/74/16/633817416.db2.gz GIKGBLKNTYJIJU-RHSMWYFYSA-N 2 1 292.423 2.428 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000817984129 633825996 /nfs/dbraw/zinc/82/59/96/633825996.db2.gz NQIRRRJKZGPKPT-VXGBXAGGSA-N 2 1 264.369 2.194 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903959435 635370048 /nfs/dbraw/zinc/37/00/48/635370048.db2.gz HYIHXOTYYICKGO-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]3C3CC3)cc2)CC1 ZINC000824650789 635470042 /nfs/dbraw/zinc/47/00/42/635470042.db2.gz QTSFIMPWFYBDND-SFHVURJKSA-N 2 1 285.435 2.423 20 10 CECDMP COc1cccc(O)c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824987855 635535589 /nfs/dbraw/zinc/53/55/89/635535589.db2.gz CVQCERZTNAKFQO-YHWZYXNKSA-N 2 1 276.380 2.116 20 10 CECDMP COc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000824987855 635535595 /nfs/dbraw/zinc/53/55/95/635535595.db2.gz CVQCERZTNAKFQO-YHWZYXNKSA-N 2 1 276.380 2.116 20 10 CECDMP COc1cccc(O)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824987855 635535601 /nfs/dbraw/zinc/53/56/01/635535601.db2.gz CVQCERZTNAKFQO-YHWZYXNKSA-N 2 1 276.380 2.116 20 10 CECDMP CN(C)c1ccc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000904307813 635558770 /nfs/dbraw/zinc/55/87/70/635558770.db2.gz WQXCTTGKQSNAJU-GASCZTMLSA-N 2 1 273.424 2.454 20 10 CECDMP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000841081930 636801460 /nfs/dbraw/zinc/80/14/60/636801460.db2.gz GACHBEMGPYJRBQ-HAQNSBGRSA-N 2 1 266.360 2.386 20 10 CECDMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087472 637566170 /nfs/dbraw/zinc/56/61/70/637566170.db2.gz OECNJXWKJWMIEP-UKRRQHHQSA-N 2 1 290.407 2.365 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000835055175 638040797 /nfs/dbraw/zinc/04/07/97/638040797.db2.gz WFFIVMFQOVURJY-FPXTWJHWSA-N 2 1 285.435 2.259 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000835055175 638040798 /nfs/dbraw/zinc/04/07/98/638040798.db2.gz WFFIVMFQOVURJY-FPXTWJHWSA-N 2 1 285.435 2.259 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000835055175 638040800 /nfs/dbraw/zinc/04/08/00/638040800.db2.gz WFFIVMFQOVURJY-FPXTWJHWSA-N 2 1 285.435 2.259 20 10 CECDMP CC(C)[C@H]([NH3+])C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841031468 639624080 /nfs/dbraw/zinc/62/40/80/639624080.db2.gz SIGFLESETLRCBR-OGZRUICASA-N 2 1 261.413 2.339 20 10 CECDMP C[C@@]1(C[NH2+]Cc2cccc(F)c2O)CCC[NH2+]C1 ZINC000841057047 639635743 /nfs/dbraw/zinc/63/57/43/639635743.db2.gz LKGVPLANPMLQQU-CQSZACIVSA-N 2 1 252.333 2.011 20 10 CECDMP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000228673980 639651257 /nfs/dbraw/zinc/65/12/57/639651257.db2.gz DKOLIIHWPZTXMZ-LLVKDONJSA-N 2 1 298.814 2.486 20 10 CECDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000843048434 640252848 /nfs/dbraw/zinc/25/28/48/640252848.db2.gz URBNRZCJVGPLCG-JTQLQIEISA-N 2 1 299.212 2.244 20 10 CECDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000843048434 640252849 /nfs/dbraw/zinc/25/28/49/640252849.db2.gz URBNRZCJVGPLCG-JTQLQIEISA-N 2 1 299.212 2.244 20 10 CECDMP COc1cc(O)c(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843055635 640258525 /nfs/dbraw/zinc/25/85/25/640258525.db2.gz IUHLQFSHFNZFPJ-UHFFFAOYSA-N 2 1 294.395 2.111 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(O)c1 ZINC000843059727 640262378 /nfs/dbraw/zinc/26/23/78/640262378.db2.gz RBAODYCQKLEMRJ-VBNZEHGJSA-N 2 1 290.407 2.350 20 10 CECDMP Cc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1O ZINC000843120160 640289077 /nfs/dbraw/zinc/28/90/77/640289077.db2.gz FTWLMIVFLZZXQT-UHFFFAOYSA-N 2 1 260.381 2.276 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125597 640292558 /nfs/dbraw/zinc/29/25/58/640292558.db2.gz YMDTWIUXFBFCSA-CHWSQXEVSA-N 2 1 278.371 2.353 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843128376 640295492 /nfs/dbraw/zinc/29/54/92/640295492.db2.gz WZDUGRNAEFMYIT-YPZLONQISA-N 2 1 285.435 2.450 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843128376 640295495 /nfs/dbraw/zinc/29/54/95/640295495.db2.gz WZDUGRNAEFMYIT-YPZLONQISA-N 2 1 285.435 2.450 20 10 CECDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994854 640409111 /nfs/dbraw/zinc/40/91/11/640409111.db2.gz DHKDJUZINNPYCT-AWEZNQCLSA-N 2 1 266.772 2.231 20 10 CECDMP COc1cccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c1O ZINC000846141748 641198856 /nfs/dbraw/zinc/19/88/56/641198856.db2.gz NHWUIQQNXSLPHZ-LLVKDONJSA-N 2 1 275.352 2.257 20 10 CECDMP CCOCc1cc(C[NH2+]C2CC(N(C)C)C2)ccc1OC ZINC000848558205 642051708 /nfs/dbraw/zinc/05/17/08/642051708.db2.gz PFJOAFDXAPUZJW-UHFFFAOYSA-N 2 1 292.423 2.414 20 10 CECDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921716704 642559049 /nfs/dbraw/zinc/55/90/49/642559049.db2.gz JOKJTWQFAVPZEE-HNNXBMFYSA-N 2 1 274.408 2.443 20 10 CECDMP Cc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c1 ZINC000877642690 650831126 /nfs/dbraw/zinc/83/11/26/650831126.db2.gz QXVVBHKBKAVWRI-MRXNPFEDSA-N 2 1 292.423 2.243 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2c1c(F)ccc2O ZINC000854226035 644016149 /nfs/dbraw/zinc/01/61/49/644016149.db2.gz CSGCLXNSQWUXAX-MSYMGVCBSA-N 2 1 276.355 2.421 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000126801572 650957573 /nfs/dbraw/zinc/95/75/73/650957573.db2.gz SNLQXCVZMLVHCW-VHSXEESVSA-N 2 1 254.761 2.215 20 10 CECDMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000863646846 646776193 /nfs/dbraw/zinc/77/61/93/646776193.db2.gz FWOWFDDWIDAJKG-UHFFFAOYSA-N 2 1 286.803 2.022 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1O ZINC000122251443 648225595 /nfs/dbraw/zinc/22/55/95/648225595.db2.gz SUISXPROUVYUGS-JSGCOSHPSA-N 2 1 278.396 2.350 20 10 CECDMP CC(C)(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204685180 806067521 /nfs/dbraw/zinc/06/75/21/806067521.db2.gz WIPFOSVDFNLMSQ-UHFFFAOYSA-N 2 1 262.397 2.485 20 10 CECDMP CC(C)(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204685180 806067531 /nfs/dbraw/zinc/06/75/31/806067531.db2.gz WIPFOSVDFNLMSQ-UHFFFAOYSA-N 2 1 262.397 2.485 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204667841 804389481 /nfs/dbraw/zinc/38/94/81/804389481.db2.gz OTWGPCPFWVULSE-UHFFFAOYSA-N 2 1 277.412 2.034 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204667841 804389488 /nfs/dbraw/zinc/38/94/88/804389488.db2.gz OTWGPCPFWVULSE-UHFFFAOYSA-N 2 1 277.412 2.034 20 10 CECDMP COc1cc(Cl)cc(C[NH+]2CCC(C)([NH3+])CC2)c1O ZINC000707778615 809918089 /nfs/dbraw/zinc/91/80/89/809918089.db2.gz BIRJUJGNOGJEOT-UHFFFAOYSA-N 2 1 284.787 2.367 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000708852612 809936496 /nfs/dbraw/zinc/93/64/96/809936496.db2.gz KNDCCIPKNWSAJY-GXSJLCMTSA-N 2 1 284.787 2.081 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000388370376 813237352 /nfs/dbraw/zinc/23/73/52/813237352.db2.gz KPVWDMYWJKDANJ-CQSZACIVSA-N 2 1 284.787 2.225 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000388370376 813237355 /nfs/dbraw/zinc/23/73/55/813237355.db2.gz KPVWDMYWJKDANJ-CQSZACIVSA-N 2 1 284.787 2.225 20 10 CECDMP CC[NH+](CC)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509319 814098638 /nfs/dbraw/zinc/09/86/38/814098638.db2.gz SLYPEAIESKURAV-UHFFFAOYSA-N 2 1 294.395 2.110 20 10 CECDMP CSCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410990 816019736 /nfs/dbraw/zinc/01/97/36/816019736.db2.gz OXMIIKHXJSEEIR-UHFFFAOYSA-N 2 1 293.480 2.233 20 10 CECDMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001206623889 816418203 /nfs/dbraw/zinc/41/82/03/816418203.db2.gz QNLPVCZEQAZOAM-JTQLQIEISA-N 2 1 270.323 2.231 20 10 CECDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001206623889 816418205 /nfs/dbraw/zinc/41/82/05/816418205.db2.gz QNLPVCZEQAZOAM-JTQLQIEISA-N 2 1 270.323 2.231 20 10 CECDMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000134006854 366277132 /nfs/dbraw/zinc/27/71/32/366277132.db2.gz AMFIXFNUUIPICH-UHFFFAOYSA-N 2 1 278.396 2.174 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000179633737 368344732 /nfs/dbraw/zinc/34/47/32/368344732.db2.gz YJLCOPSJOBYNCA-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000179965078 368359959 /nfs/dbraw/zinc/35/99/59/368359959.db2.gz KHNNGJKHZARMPG-UHFFFAOYSA-N 2 1 278.396 2.363 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000180423610 368381120 /nfs/dbraw/zinc/38/11/20/368381120.db2.gz VWSSZXSXLHNZPL-TZMCWYRMSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000180423610 368381128 /nfs/dbraw/zinc/38/11/28/368381128.db2.gz VWSSZXSXLHNZPL-TZMCWYRMSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000180423610 368381137 /nfs/dbraw/zinc/38/11/37/368381137.db2.gz VWSSZXSXLHNZPL-TZMCWYRMSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000180423610 368381143 /nfs/dbraw/zinc/38/11/43/368381143.db2.gz VWSSZXSXLHNZPL-TZMCWYRMSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000180423628 368382017 /nfs/dbraw/zinc/38/20/17/368382017.db2.gz VWSSZXSXLHNZPL-GXTWGEPZSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000180423628 368382021 /nfs/dbraw/zinc/38/20/21/368382021.db2.gz VWSSZXSXLHNZPL-GXTWGEPZSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000180423628 368382024 /nfs/dbraw/zinc/38/20/24/368382024.db2.gz VWSSZXSXLHNZPL-GXTWGEPZSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000180423628 368382028 /nfs/dbraw/zinc/38/20/28/368382028.db2.gz VWSSZXSXLHNZPL-GXTWGEPZSA-N 2 1 278.396 2.315 20 10 CECDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)ccc1O ZINC000185116543 368750246 /nfs/dbraw/zinc/75/02/46/368750246.db2.gz JNCSEHMUZLCEKX-GFCCVEGCSA-N 2 1 296.386 2.029 20 10 CECDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1O ZINC000374890899 374636042 /nfs/dbraw/zinc/63/60/42/374636042.db2.gz FEXGDYVJEXMTIW-HLLBOEOZSA-N 2 1 290.407 2.076 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124714123 394839848 /nfs/dbraw/zinc/83/98/48/394839848.db2.gz GGILFOQDZPNFER-NSHDSACASA-N 2 1 268.788 2.477 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252566746 334382747 /nfs/dbraw/zinc/38/27/47/334382747.db2.gz ZVOGOFMNQMJISF-KKUMJFAQSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252566746 334382748 /nfs/dbraw/zinc/38/27/48/334382748.db2.gz ZVOGOFMNQMJISF-KKUMJFAQSA-N 2 1 290.407 2.214 20 10 CECDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(F)ccc2O)C1 ZINC000290647603 523993328 /nfs/dbraw/zinc/99/33/28/523993328.db2.gz YZNPDKXCKXZZIA-DOMZBBRYSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(F)ccc2O)C1 ZINC000290647603 523993334 /nfs/dbraw/zinc/99/33/34/523993334.db2.gz YZNPDKXCKXZZIA-DOMZBBRYSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(F)ccc2O)C1 ZINC000290647603 523993336 /nfs/dbraw/zinc/99/33/36/523993336.db2.gz YZNPDKXCKXZZIA-DOMZBBRYSA-N 2 1 278.371 2.447 20 10 CECDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)cc1C ZINC000160144902 622542972 /nfs/dbraw/zinc/54/29/72/622542972.db2.gz LZKGXADTCOTZNH-UHFFFAOYSA-N 2 1 292.423 2.483 20 10 CECDMP Cc1cccc(C[N@H+](C)[C@H]2CN3CCC2CC3)c1O ZINC000311459966 627666826 /nfs/dbraw/zinc/66/68/26/627666826.db2.gz VMPUTNJWVVCCIU-HNNXBMFYSA-N 2 1 260.381 2.227 20 10 CECDMP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1O ZINC000817973367 633817642 /nfs/dbraw/zinc/81/76/42/633817642.db2.gz DSFRTBPRJLBPTI-GOEBONIOSA-N 2 1 278.396 2.202 20 10 CECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817976420 633820290 /nfs/dbraw/zinc/82/02/90/633820290.db2.gz LUGJVKKJJCVAOU-VXGBXAGGSA-N 2 1 294.395 2.347 20 10 CECDMP COc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818431956 633921048 /nfs/dbraw/zinc/92/10/48/633921048.db2.gz XQLTZVRCDYIFCF-CYBMUJFWSA-N 2 1 290.407 2.365 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904407732 635614817 /nfs/dbraw/zinc/61/48/17/635614817.db2.gz ZXLVJDRNOOYBED-AWEZNQCLSA-N 2 1 261.413 2.232 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC000904410130 635616881 /nfs/dbraw/zinc/61/68/81/635616881.db2.gz BETZLCUHUNJKAY-OLZOCXBDSA-N 2 1 278.396 2.208 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412535 635619912 /nfs/dbraw/zinc/61/99/12/635619912.db2.gz VKIBZVZVSDIOPT-QWHCGFSZSA-N 2 1 278.396 2.208 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412532 635619952 /nfs/dbraw/zinc/61/99/52/635619952.db2.gz VKIBZVZVSDIOPT-OLZOCXBDSA-N 2 1 278.396 2.208 20 10 CECDMP Cc1cc(C)c(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000904436177 635630397 /nfs/dbraw/zinc/63/03/97/635630397.db2.gz GHWLAGPJJQMLSW-WBVHZDCISA-N 2 1 274.408 2.393 20 10 CECDMP Cc1cc(C)c(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000904436177 635630401 /nfs/dbraw/zinc/63/04/01/635630401.db2.gz GHWLAGPJJQMLSW-WBVHZDCISA-N 2 1 274.408 2.393 20 10 CECDMP Cc1cc(C)c(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000904436177 635630403 /nfs/dbraw/zinc/63/04/03/635630403.db2.gz GHWLAGPJJQMLSW-WBVHZDCISA-N 2 1 274.408 2.393 20 10 CECDMP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535801 639322278 /nfs/dbraw/zinc/32/22/78/639322278.db2.gz SKVOFSQEJFTLLW-HNNXBMFYSA-N 2 1 261.413 2.184 20 10 CECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841029760 639622940 /nfs/dbraw/zinc/62/29/40/639622940.db2.gz RTSPUPXGBSBOLF-LBPRGKRZSA-N 2 1 282.384 2.017 20 10 CECDMP Oc1ccccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000841041117 639629708 /nfs/dbraw/zinc/62/97/08/639629708.db2.gz DMUYRHLIDLHADM-UHFFFAOYSA-N 2 1 271.364 2.057 20 10 CECDMP COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063191912 639837215 /nfs/dbraw/zinc/83/72/15/639837215.db2.gz PIVXBQGBGUSJLX-BXUZGUMPSA-N 2 1 264.369 2.103 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063191912 639837218 /nfs/dbraw/zinc/83/72/18/639837218.db2.gz PIVXBQGBGUSJLX-BXUZGUMPSA-N 2 1 264.369 2.103 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843043832 640250069 /nfs/dbraw/zinc/25/00/69/640250069.db2.gz JRVVVVCBRSXZCU-UHFFFAOYSA-N 2 1 276.380 2.117 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045445 640251526 /nfs/dbraw/zinc/25/15/26/640251526.db2.gz QQGVDPCZHGIWMU-UKRRQHHQSA-N 2 1 290.407 2.365 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000843047849 640253068 /nfs/dbraw/zinc/25/30/68/640253068.db2.gz YSSPKFNWSIMSRA-ZDUSSCGKSA-N 2 1 265.376 2.062 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000843047849 640253073 /nfs/dbraw/zinc/25/30/73/640253073.db2.gz YSSPKFNWSIMSRA-ZDUSSCGKSA-N 2 1 265.376 2.062 20 10 CECDMP C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052263 640255859 /nfs/dbraw/zinc/25/58/59/640255859.db2.gz RGCUOZWOCKUNFT-SMDDNHRTSA-N 2 1 265.376 2.061 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052263 640255862 /nfs/dbraw/zinc/25/58/62/640255862.db2.gz RGCUOZWOCKUNFT-SMDDNHRTSA-N 2 1 265.376 2.061 20 10 CECDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC000843059282 640261205 /nfs/dbraw/zinc/26/12/05/640261205.db2.gz JBZZVXGKYFFZAD-VHRBIJSZSA-N 2 1 264.344 2.091 20 10 CECDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC000843059282 640261207 /nfs/dbraw/zinc/26/12/07/640261207.db2.gz JBZZVXGKYFFZAD-VHRBIJSZSA-N 2 1 264.344 2.091 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000843059942 640262729 /nfs/dbraw/zinc/26/27/29/640262729.db2.gz VQTPVOWWXPWHGM-SQWLQELKSA-N 2 1 291.414 2.451 20 10 CECDMP CN(C)c1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1F ZINC000843108107 640284156 /nfs/dbraw/zinc/28/41/56/640284156.db2.gz RLGYZYYLLXHVGA-UHFFFAOYSA-N 2 1 265.376 2.205 20 10 CECDMP COc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127237 640294290 /nfs/dbraw/zinc/29/42/90/640294290.db2.gz CXDJUDCJLKJPJZ-AWEZNQCLSA-N 2 1 276.380 2.165 20 10 CECDMP Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000877477404 650739760 /nfs/dbraw/zinc/73/97/60/650739760.db2.gz CRURUEKZJURCSP-HNNXBMFYSA-N 2 1 292.423 2.291 20 10 CECDMP CCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000851792039 643163992 /nfs/dbraw/zinc/16/39/92/643163992.db2.gz JXFHFYFUNHOUIT-INIZCTEOSA-N 2 1 294.439 2.305 20 10 CECDMP CCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000851792039 643163997 /nfs/dbraw/zinc/16/39/97/643163997.db2.gz JXFHFYFUNHOUIT-INIZCTEOSA-N 2 1 294.439 2.305 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923291455 643638031 /nfs/dbraw/zinc/63/80/31/643638031.db2.gz SQMIGAFBIGEWPD-ZFWWWQNUSA-N 2 1 261.413 2.230 20 10 CECDMP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2c1c(F)ccc2O ZINC000854226033 644016547 /nfs/dbraw/zinc/01/65/47/644016547.db2.gz CSGCLXNSQWUXAX-IUBWYBMYSA-N 2 1 276.355 2.421 20 10 CECDMP Cc1cc(N(C)C)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000766029884 645837133 /nfs/dbraw/zinc/83/71/33/645837133.db2.gz PCWOYXLTHRWBCQ-UHFFFAOYSA-N 2 1 261.413 2.245 20 10 CECDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(O)cccc2OC)C1 ZINC000769516325 646280367 /nfs/dbraw/zinc/28/03/67/646280367.db2.gz SHVTWIQYFVHMOM-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)cccc2OC)C1 ZINC000769516325 646280369 /nfs/dbraw/zinc/28/03/69/646280369.db2.gz SHVTWIQYFVHMOM-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769516325 646280376 /nfs/dbraw/zinc/28/03/76/646280376.db2.gz SHVTWIQYFVHMOM-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769516325 646280378 /nfs/dbraw/zinc/28/03/78/646280378.db2.gz SHVTWIQYFVHMOM-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000873216316 649593129 /nfs/dbraw/zinc/59/31/29/649593129.db2.gz MSHUAYWOBKMRLP-ATQQARJTSA-N 2 1 273.424 2.292 20 10 CECDMP C[N@@H+](CCCCCC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000873231379 649602370 /nfs/dbraw/zinc/60/23/70/649602370.db2.gz HJVMEHSPBXZBSL-UHFFFAOYSA-N 2 1 280.368 2.072 20 10 CECDMP COc1ccc(O)c(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000709012054 809939726 /nfs/dbraw/zinc/93/97/26/809939726.db2.gz XWPHZTGSKCVIHJ-ZDUSSCGKSA-N 2 1 264.369 2.104 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000709012054 809939731 /nfs/dbraw/zinc/93/97/31/809939731.db2.gz XWPHZTGSKCVIHJ-ZDUSSCGKSA-N 2 1 264.369 2.104 20 10 CECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC001169090163 811383232 /nfs/dbraw/zinc/38/32/32/811383232.db2.gz HYKDXXSLSFBOJH-PHZGNYQRSA-N 2 1 272.392 2.336 20 10 CECDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3cccc(O)c3C1)C2 ZINC001169153209 811413815 /nfs/dbraw/zinc/41/38/15/811413815.db2.gz HRMJRAJIJFUFBD-FICVDOATSA-N 2 1 272.392 2.376 20 10 CECDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3cccc(O)c3C1)C2 ZINC001169153209 811413819 /nfs/dbraw/zinc/41/38/19/811413819.db2.gz HRMJRAJIJFUFBD-FICVDOATSA-N 2 1 272.392 2.376 20 10 CECDMP CN1CCCc2cc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc21 ZINC001138359624 815777600 /nfs/dbraw/zinc/77/76/00/815777600.db2.gz WVQQFTOKXHQWRE-IEBWSBKVSA-N 2 1 299.462 2.453 20 10 CECDMP CN1CCCc2cc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc21 ZINC001138359624 815777608 /nfs/dbraw/zinc/77/76/08/815777608.db2.gz WVQQFTOKXHQWRE-IEBWSBKVSA-N 2 1 299.462 2.453 20 10 CECDMP CC[N@H+](C)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140750262 816342620 /nfs/dbraw/zinc/34/26/20/816342620.db2.gz ZMFCAKLWOYGPAT-UHFFFAOYSA-N 2 1 278.396 2.322 20 10 CECDMP CC[N@@H+](C)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140750262 816342626 /nfs/dbraw/zinc/34/26/26/816342626.db2.gz ZMFCAKLWOYGPAT-UHFFFAOYSA-N 2 1 278.396 2.322 20 10 CECDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069160314 816861630 /nfs/dbraw/zinc/86/16/30/816861630.db2.gz FHTGMFKWMINDTQ-OAHLLOKOSA-N 2 1 274.408 2.443 20 10 CECDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3O)CC[C@H]21 ZINC000228183294 370399639 /nfs/dbraw/zinc/39/96/39/370399639.db2.gz QLPCLSCAAFVWKM-UKRRQHHQSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21 ZINC000228183294 370399645 /nfs/dbraw/zinc/39/96/45/370399645.db2.gz QLPCLSCAAFVWKM-UKRRQHHQSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC000228183294 370399652 /nfs/dbraw/zinc/39/96/52/370399652.db2.gz QLPCLSCAAFVWKM-UKRRQHHQSA-N 2 1 260.381 2.308 20 10 CECDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)ccc1O ZINC000290599282 263117667 /nfs/dbraw/zinc/11/76/67/263117667.db2.gz VUXCMXPXPHQSAF-RISCZKNCSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)ccc1O ZINC000290599282 263117668 /nfs/dbraw/zinc/11/76/68/263117668.db2.gz VUXCMXPXPHQSAF-RISCZKNCSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)ccc1O ZINC000290599282 263117669 /nfs/dbraw/zinc/11/76/69/263117669.db2.gz VUXCMXPXPHQSAF-RISCZKNCSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)ccc1O ZINC000290599282 263117670 /nfs/dbraw/zinc/11/76/70/263117670.db2.gz VUXCMXPXPHQSAF-RISCZKNCSA-N 2 1 266.360 2.303 20 10 CECDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000738226178 574854446 /nfs/dbraw/zinc/85/44/46/574854446.db2.gz VQIOMWRMZWBPAK-CYBMUJFWSA-N 2 1 274.408 2.264 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000090720251 623543756 /nfs/dbraw/zinc/54/37/56/623543756.db2.gz FNDIGJYMDPSVHM-DOMZBBRYSA-N 2 1 260.381 2.194 20 10 CECDMP CN(C)c1ccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)cc1 ZINC000924575277 625947276 /nfs/dbraw/zinc/94/72/76/625947276.db2.gz UFKWJZOUVOGLTE-FKEKPDDDSA-N 2 1 273.424 2.182 20 10 CECDMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843122340 631734579 /nfs/dbraw/zinc/73/45/79/631734579.db2.gz BCMBNHKKAOBEDB-MRXNPFEDSA-N 2 1 260.381 2.276 20 10 CECDMP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000817866288 633747817 /nfs/dbraw/zinc/74/78/17/633747817.db2.gz WWHDCIZOHXOKFR-NTZNESFSSA-N 2 1 266.360 2.337 20 10 CECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(F)c2O)C[C@H]1C[NH3+] ZINC000817866288 633747823 /nfs/dbraw/zinc/74/78/23/633747823.db2.gz WWHDCIZOHXOKFR-NTZNESFSSA-N 2 1 266.360 2.337 20 10 CECDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H]2CCC[C@H]21 ZINC000817957713 633799624 /nfs/dbraw/zinc/79/96/24/633799624.db2.gz OMYBXRIVUXEZSS-IXDOHACOSA-N 2 1 273.424 2.274 20 10 CECDMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1O ZINC000817971901 633815990 /nfs/dbraw/zinc/81/59/90/633815990.db2.gz QZHGFDAELJUULV-JFGNBEQYSA-N 2 1 252.333 2.322 20 10 CECDMP COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CC[NH2+]CC1 ZINC000817973948 633817430 /nfs/dbraw/zinc/81/74/30/633817430.db2.gz HRRGDWIIIREHIF-LBPRGKRZSA-N 2 1 296.386 2.198 20 10 CECDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000817983237 633826099 /nfs/dbraw/zinc/82/60/99/633826099.db2.gz ZXXDMVRYXLITLC-PBHICJAKSA-N 2 1 291.439 2.172 20 10 CECDMP CCC[N@H+](Cc1ccccc1O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432644 635115094 /nfs/dbraw/zinc/11/50/94/635115094.db2.gz IOGUSPMXVIDVJL-HIFRSBDPSA-N 2 1 262.397 2.460 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959803 635368964 /nfs/dbraw/zinc/36/89/64/635368964.db2.gz OTLFABARUXBAEI-QGZVFWFLSA-N 2 1 290.407 2.366 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960152 635369569 /nfs/dbraw/zinc/36/95/69/635369569.db2.gz YBSAZTRCQFASBA-MRXNPFEDSA-N 2 1 278.371 2.497 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960152 635369572 /nfs/dbraw/zinc/36/95/72/635369572.db2.gz YBSAZTRCQFASBA-MRXNPFEDSA-N 2 1 278.371 2.497 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC000904410132 635616754 /nfs/dbraw/zinc/61/67/54/635616754.db2.gz BETZLCUHUNJKAY-STQMWFEESA-N 2 1 278.396 2.208 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088345 637701858 /nfs/dbraw/zinc/70/18/58/637701858.db2.gz VCEBBHIKFXNPRG-WFASDCNBSA-N 2 1 278.371 2.495 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088345 637701859 /nfs/dbraw/zinc/70/18/59/637701859.db2.gz VCEBBHIKFXNPRG-WFASDCNBSA-N 2 1 278.371 2.495 20 10 CECDMP C[N@@H+]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754329 650421224 /nfs/dbraw/zinc/42/12/24/650421224.db2.gz MQHUANGRLWWROP-WHLNPGIBSA-N 2 1 299.418 2.021 20 10 CECDMP C[N@H+]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754329 650421225 /nfs/dbraw/zinc/42/12/25/650421225.db2.gz MQHUANGRLWWROP-WHLNPGIBSA-N 2 1 299.418 2.021 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000841027938 639621340 /nfs/dbraw/zinc/62/13/40/639621340.db2.gz GSPMMPFOQQDGGV-QDLOVBKTSA-N 2 1 259.397 2.093 20 10 CECDMP CCC[N@@H+](Cc1cccc(OC)c1O)C1CC[NH2+]CC1 ZINC000843045242 640251040 /nfs/dbraw/zinc/25/10/40/640251040.db2.gz SJRIBIYIRGNVLO-UHFFFAOYSA-N 2 1 278.396 2.365 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000843114944 640284962 /nfs/dbraw/zinc/28/49/62/640284962.db2.gz LRKVVJNXSOHJTF-CHYADLBTSA-N 2 1 273.424 2.437 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(O)c1 ZINC000846699699 641400281 /nfs/dbraw/zinc/40/02/81/641400281.db2.gz VVZUCDTVXGHNJA-WCQYABFASA-N 2 1 264.369 2.103 20 10 CECDMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000877569822 650794238 /nfs/dbraw/zinc/79/42/38/650794238.db2.gz ALLXPOMULSHRLK-GOOCMWNKSA-N 2 1 260.381 2.415 20 10 CECDMP Cc1cc(C[N@H+](C)[C@H](C[NH3+])C2CC2)ccc1N(C)C ZINC000923357509 643676044 /nfs/dbraw/zinc/67/60/44/643676044.db2.gz PAMYRTSMWVCKDI-MRXNPFEDSA-N 2 1 261.413 2.230 20 10 CECDMP Cc1cc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)ccc1N(C)C ZINC000923357509 643676046 /nfs/dbraw/zinc/67/60/46/643676046.db2.gz PAMYRTSMWVCKDI-MRXNPFEDSA-N 2 1 261.413 2.230 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923493311 643737176 /nfs/dbraw/zinc/73/71/76/643737176.db2.gz RYMBSMZIDFZZHG-GOEBONIOSA-N 2 1 275.440 2.478 20 10 CECDMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877739427 650881588 /nfs/dbraw/zinc/88/15/88/650881588.db2.gz FUCZOVXXBGYEJP-GOEBONIOSA-N 2 1 274.408 2.481 20 10 CECDMP CCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877739427 650881593 /nfs/dbraw/zinc/88/15/93/650881593.db2.gz FUCZOVXXBGYEJP-GOEBONIOSA-N 2 1 274.408 2.481 20 10 CECDMP CCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1O ZINC000877739427 650881595 /nfs/dbraw/zinc/88/15/95/650881595.db2.gz FUCZOVXXBGYEJP-GOEBONIOSA-N 2 1 274.408 2.481 20 10 CECDMP Cc1cccc(O)c1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743058 650889010 /nfs/dbraw/zinc/88/90/10/650889010.db2.gz TUDPNUHVEJONRF-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743058 650889012 /nfs/dbraw/zinc/88/90/12/650889012.db2.gz TUDPNUHVEJONRF-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743058 650889015 /nfs/dbraw/zinc/88/90/15/650889015.db2.gz TUDPNUHVEJONRF-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP COc1ccc(O)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000839182815 644182447 /nfs/dbraw/zinc/18/24/47/644182447.db2.gz PWFZXDQONMZANR-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000862367502 646417779 /nfs/dbraw/zinc/41/77/79/646417779.db2.gz KXKGNLAZHGTMKT-CYBMUJFWSA-N 2 1 278.396 2.363 20 10 CECDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000793771599 648795925 /nfs/dbraw/zinc/79/59/25/648795925.db2.gz ZHEBJKOQYIHCBC-SFHVURJKSA-N 2 1 286.419 2.409 20 10 CECDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000793771599 648795929 /nfs/dbraw/zinc/79/59/29/648795929.db2.gz ZHEBJKOQYIHCBC-SFHVURJKSA-N 2 1 286.419 2.409 20 10 CECDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)C1 ZINC000793771599 648795933 /nfs/dbraw/zinc/79/59/33/648795933.db2.gz ZHEBJKOQYIHCBC-SFHVURJKSA-N 2 1 286.419 2.409 20 10 CECDMP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883161380 652384099 /nfs/dbraw/zinc/38/40/99/652384099.db2.gz QBXWHIDRPLCFBT-WVSHTKLVSA-N 2 1 270.323 2.100 20 10 CECDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000389076827 813247124 /nfs/dbraw/zinc/24/71/24/813247124.db2.gz ZGUXPZVQCRZTIO-CYBMUJFWSA-N 2 1 257.337 2.174 20 10 CECDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(O)ccc1O ZINC001141158700 816490908 /nfs/dbraw/zinc/49/09/08/816490908.db2.gz KLKLTDLDVJQQNI-UHFFFAOYSA-N 2 1 264.369 2.016 20 10 CECDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(O)ccc1O ZINC001141158700 816490909 /nfs/dbraw/zinc/49/09/09/816490909.db2.gz KLKLTDLDVJQQNI-UHFFFAOYSA-N 2 1 264.369 2.016 20 10 CECDMP C[N@H+](Cc1cc(F)ccc1O)CC1CC[NH+](C)CC1 ZINC000180075511 368366497 /nfs/dbraw/zinc/36/64/97/368366497.db2.gz RUOMXCHZTXIXQE-UHFFFAOYSA-N 2 1 266.360 2.305 20 10 CECDMP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000124702933 394839896 /nfs/dbraw/zinc/83/98/96/394839896.db2.gz QKAZUCIAMNGAQA-CYBMUJFWSA-N 2 1 260.381 2.275 20 10 CECDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000281107932 522750198 /nfs/dbraw/zinc/75/01/98/522750198.db2.gz AZGJZYVYTDCPAF-UHFFFAOYSA-N 2 1 292.379 2.039 20 10 CECDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000281107932 522750205 /nfs/dbraw/zinc/75/02/05/522750205.db2.gz AZGJZYVYTDCPAF-UHFFFAOYSA-N 2 1 292.379 2.039 20 10 CECDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000368734746 524910195 /nfs/dbraw/zinc/91/01/95/524910195.db2.gz ZYOOVWCUZOWFKV-KEYYUXOJSA-N 2 1 287.451 2.497 20 10 CECDMP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000112017188 526038531 /nfs/dbraw/zinc/03/85/31/526038531.db2.gz CUVLSCBCTBJFPJ-UONOGXRCSA-N 2 1 276.380 2.117 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000742375640 623422762 /nfs/dbraw/zinc/42/27/62/623422762.db2.gz SYJDIBKYHXZXSP-TZMCWYRMSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000742375640 623422767 /nfs/dbraw/zinc/42/27/67/623422767.db2.gz SYJDIBKYHXZXSP-TZMCWYRMSA-N 2 1 278.396 2.363 20 10 CECDMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)c(O)c1OC ZINC000892517090 625873875 /nfs/dbraw/zinc/87/38/75/625873875.db2.gz XSTZOVBTUYLAGO-UHFFFAOYSA-N 2 1 296.411 2.229 20 10 CECDMP C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1C[NH3+] ZINC000163492951 627354317 /nfs/dbraw/zinc/35/43/17/627354317.db2.gz GQFSAHIEOFEREF-QWRGUYRKSA-N 2 1 268.788 2.462 20 10 CECDMP COc1cc(C)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1O ZINC000894163122 629177447 /nfs/dbraw/zinc/17/74/47/629177447.db2.gz JDGOVRVPQYGDCT-UHFFFAOYSA-N 2 1 290.407 2.426 20 10 CECDMP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816649409 633456823 /nfs/dbraw/zinc/45/68/23/633456823.db2.gz YRSYQVJULKDECC-LSDHHAIUSA-N 2 1 273.424 2.279 20 10 CECDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897884 633759707 /nfs/dbraw/zinc/75/97/07/633759707.db2.gz CXUXBGIUCJHDMD-HZPDHXFCSA-N 2 1 259.397 2.256 20 10 CECDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000817983239 633826392 /nfs/dbraw/zinc/82/63/92/633826392.db2.gz ZXXDMVRYXLITLC-WMLDXEAASA-N 2 1 291.439 2.172 20 10 CECDMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1O)CC[NH2+]CC2 ZINC000818431356 633921010 /nfs/dbraw/zinc/92/10/10/633921010.db2.gz JTXZYJLALBWMRQ-CYBMUJFWSA-N 2 1 260.381 2.356 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410565 635616444 /nfs/dbraw/zinc/61/64/44/635616444.db2.gz OQWIUXGPQADDIN-HUUCEWRRSA-N 2 1 275.440 2.478 20 10 CECDMP Cc1cc(N(C)C)ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000840935969 639591546 /nfs/dbraw/zinc/59/15/46/639591546.db2.gz FIYZTUCWHXIZHF-UHFFFAOYSA-N 2 1 273.424 2.413 20 10 CECDMP Cc1cc(Br)cc(C[NH2+][C@H](C[NH3+])C2CC2)c1O ZINC000841029124 639621308 /nfs/dbraw/zinc/62/13/08/639621308.db2.gz SXTOKBHZHHNKGZ-GFCCVEGCSA-N 2 1 299.212 2.290 20 10 CECDMP Oc1c(F)cccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841072409 639643431 /nfs/dbraw/zinc/64/34/31/639643431.db2.gz JNUYVZLIYQJFOD-LBPRGKRZSA-N 2 1 252.333 2.153 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841099570 639657552 /nfs/dbraw/zinc/65/75/52/639657552.db2.gz MEQGGSQAESGADI-BBRMVZONSA-N 2 1 275.440 2.478 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000229104472 639676554 /nfs/dbraw/zinc/67/65/54/639676554.db2.gz INUYZXOVBXQHPS-CABZTGNLSA-N 2 1 284.787 2.223 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000229104472 639676555 /nfs/dbraw/zinc/67/65/55/639676555.db2.gz INUYZXOVBXQHPS-CABZTGNLSA-N 2 1 284.787 2.223 20 10 CECDMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1O ZINC000062748446 639783272 /nfs/dbraw/zinc/78/32/72/639783272.db2.gz IRYCZULIEDQAHY-OIKLOGQESA-N 2 1 252.333 2.452 20 10 CECDMP CCC[N@@H+](Cc1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC000843044070 640250029 /nfs/dbraw/zinc/25/00/29/640250029.db2.gz CDQHJALJPCEHQF-UHFFFAOYSA-N 2 1 266.360 2.495 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000843052178 640254652 /nfs/dbraw/zinc/25/46/52/640254652.db2.gz JWCPQYADVKGKDJ-NSHDSACASA-N 2 1 268.788 2.395 20 10 CECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000843052178 640254654 /nfs/dbraw/zinc/25/46/54/640254654.db2.gz JWCPQYADVKGKDJ-NSHDSACASA-N 2 1 268.788 2.395 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843113992 640285312 /nfs/dbraw/zinc/28/53/12/640285312.db2.gz FFWARKBJCWQSNK-INIZCTEOSA-N 2 1 261.413 2.232 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843121054 640289404 /nfs/dbraw/zinc/28/94/04/640289404.db2.gz ZRQIXWKNUMMDBC-OAJJDEHYSA-N 2 1 285.435 2.451 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843121054 640289409 /nfs/dbraw/zinc/28/94/09/640289409.db2.gz ZRQIXWKNUMMDBC-OAJJDEHYSA-N 2 1 285.435 2.451 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1O ZINC000843126049 640293302 /nfs/dbraw/zinc/29/33/02/640293302.db2.gz FLONWDCFBNXZEB-OKILXGFUSA-N 2 1 260.381 2.132 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000844839836 640850320 /nfs/dbraw/zinc/85/03/20/640850320.db2.gz YDWKVHRZTPZQEK-UHFFFAOYSA-N 2 1 291.439 2.063 20 10 CECDMP C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1CC[NH3+] ZINC000844902557 640860556 /nfs/dbraw/zinc/86/05/56/640860556.db2.gz QPALCNXJJMNRJU-AAEUAGOBSA-N 2 1 292.379 2.070 20 10 CECDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2O)C1 ZINC000844909973 640862904 /nfs/dbraw/zinc/86/29/04/640862904.db2.gz FWWXHOBGLXYQRJ-INMHGKMJSA-N 2 1 290.407 2.253 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](F)C3)cc2)CC1 ZINC000846121386 641193983 /nfs/dbraw/zinc/19/39/83/641193983.db2.gz YYZCTDUYBZNJOT-MRXNPFEDSA-N 2 1 291.414 2.372 20 10 CECDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000846698209 641400933 /nfs/dbraw/zinc/40/09/33/641400933.db2.gz CHBNLGIMFDWPGY-YPMHNXCESA-N 2 1 265.376 2.203 20 10 CECDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000846698209 641400939 /nfs/dbraw/zinc/40/09/39/641400939.db2.gz CHBNLGIMFDWPGY-YPMHNXCESA-N 2 1 265.376 2.203 20 10 CECDMP C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000252173564 641575458 /nfs/dbraw/zinc/57/54/58/641575458.db2.gz OMHOTDWAVXAHRA-BBRMVZONSA-N 2 1 261.413 2.312 20 10 CECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000252173564 641575461 /nfs/dbraw/zinc/57/54/61/641575461.db2.gz OMHOTDWAVXAHRA-BBRMVZONSA-N 2 1 261.413 2.312 20 10 CECDMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851951561 643240127 /nfs/dbraw/zinc/24/01/27/643240127.db2.gz YUDZSYZVWRDYOU-PBHICJAKSA-N 2 1 293.455 2.104 20 10 CECDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851951561 643240134 /nfs/dbraw/zinc/24/01/34/643240134.db2.gz YUDZSYZVWRDYOU-PBHICJAKSA-N 2 1 293.455 2.104 20 10 CECDMP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000923493817 643737610 /nfs/dbraw/zinc/73/76/10/643737610.db2.gz VYSCOHVESPECLZ-NSHDSACASA-N 2 1 296.798 2.419 20 10 CECDMP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877742687 650887167 /nfs/dbraw/zinc/88/71/67/650887167.db2.gz QOTRPRPMKJLIRY-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877742687 650887175 /nfs/dbraw/zinc/88/71/75/650887175.db2.gz QOTRPRPMKJLIRY-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877742687 650887178 /nfs/dbraw/zinc/88/71/78/650887178.db2.gz QOTRPRPMKJLIRY-ZFWWWQNUSA-N 2 1 260.381 2.227 20 10 CECDMP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877743511 650889318 /nfs/dbraw/zinc/88/93/18/650889318.db2.gz KWHPFIOUOMAFIH-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877743511 650889319 /nfs/dbraw/zinc/88/93/19/650889319.db2.gz KWHPFIOUOMAFIH-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877743511 650889320 /nfs/dbraw/zinc/88/93/20/650889320.db2.gz KWHPFIOUOMAFIH-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000877743511 650889321 /nfs/dbraw/zinc/88/93/21/650889321.db2.gz KWHPFIOUOMAFIH-HIFRSBDPSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1O ZINC000839181498 644181452 /nfs/dbraw/zinc/18/14/52/644181452.db2.gz IZPAECPWRSEDKV-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857226303 644858647 /nfs/dbraw/zinc/85/86/47/644858647.db2.gz KISNRORGNISBMM-XJKSGUPXSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857226303 644858650 /nfs/dbraw/zinc/85/86/50/644858650.db2.gz KISNRORGNISBMM-XJKSGUPXSA-N 2 1 276.380 2.104 20 10 CECDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC000862352919 646407821 /nfs/dbraw/zinc/40/78/21/646407821.db2.gz JCRVITHSHDGDHM-ZDUSSCGKSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(O)c1 ZINC000863653068 646777936 /nfs/dbraw/zinc/77/79/36/646777936.db2.gz ZNDYAHCWQRXRJK-CALCHBBNSA-N 2 1 290.407 2.222 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(O)c1 ZINC000863653068 646777939 /nfs/dbraw/zinc/77/79/39/646777939.db2.gz ZNDYAHCWQRXRJK-CALCHBBNSA-N 2 1 290.407 2.222 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000131432191 652425184 /nfs/dbraw/zinc/42/51/84/652425184.db2.gz LDKVJQVRXNNYJJ-WCQYABFASA-N 2 1 264.369 2.103 20 10 CECDMP COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@](C)([NH3+])C3)c2c1 ZINC001204801159 806107959 /nfs/dbraw/zinc/10/79/59/806107959.db2.gz KKOMFWMPHFZSTN-QGZVFWFLSA-N 2 1 286.375 2.477 20 10 CECDMP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@](C)([NH3+])C3)c2c1 ZINC001204801159 806107965 /nfs/dbraw/zinc/10/79/65/806107965.db2.gz KKOMFWMPHFZSTN-QGZVFWFLSA-N 2 1 286.375 2.477 20 10 CECDMP c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001118180540 814990889 /nfs/dbraw/zinc/99/08/89/814990889.db2.gz KEDWNINYEMMZGN-AEFFLSMTSA-N 2 1 285.435 2.471 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001172104313 815293517 /nfs/dbraw/zinc/29/35/17/815293517.db2.gz DUEGSECQJYHGPC-QKDCVEJESA-N 2 1 290.407 2.245 20 10 CECDMP CN1CCCc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206163355 815349532 /nfs/dbraw/zinc/34/95/32/815349532.db2.gz BUPFADBAAHPETF-JKSUJKDBSA-N 2 1 291.414 2.330 20 10 CECDMP Cc1ccc(O)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000133999272 366276953 /nfs/dbraw/zinc/27/69/53/366276953.db2.gz WJWMTBQAWFPGAG-UHFFFAOYSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292752737 395204314 /nfs/dbraw/zinc/20/43/14/395204314.db2.gz IPVDHQDPPHVIQZ-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292752737 395204334 /nfs/dbraw/zinc/20/43/34/395204334.db2.gz IPVDHQDPPHVIQZ-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292752737 395204335 /nfs/dbraw/zinc/20/43/35/395204335.db2.gz IPVDHQDPPHVIQZ-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1O ZINC000091666379 260266471 /nfs/dbraw/zinc/26/64/71/260266471.db2.gz XLXYGFSLQLLGIG-FMKPAKJESA-N 2 1 290.407 2.296 20 10 CECDMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1O ZINC000091666379 260266472 /nfs/dbraw/zinc/26/64/72/260266472.db2.gz XLXYGFSLQLLGIG-FMKPAKJESA-N 2 1 290.407 2.296 20 10 CECDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)ccc1O ZINC000290599274 263117608 /nfs/dbraw/zinc/11/76/08/263117608.db2.gz VUXCMXPXPHQSAF-BXUZGUMPSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)ccc1O ZINC000290599274 263117609 /nfs/dbraw/zinc/11/76/09/263117609.db2.gz VUXCMXPXPHQSAF-BXUZGUMPSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)ccc1O ZINC000290599274 263117610 /nfs/dbraw/zinc/11/76/10/263117610.db2.gz VUXCMXPXPHQSAF-BXUZGUMPSA-N 2 1 266.360 2.303 20 10 CECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)ccc1O ZINC000290599274 263117611 /nfs/dbraw/zinc/11/76/11/263117611.db2.gz VUXCMXPXPHQSAF-BXUZGUMPSA-N 2 1 266.360 2.303 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290611157 263117791 /nfs/dbraw/zinc/11/77/91/263117791.db2.gz WPKIGHQENSOUCS-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000290611157 263117792 /nfs/dbraw/zinc/11/77/92/263117792.db2.gz WPKIGHQENSOUCS-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000290611157 263117793 /nfs/dbraw/zinc/11/77/93/263117793.db2.gz WPKIGHQENSOUCS-XJKSGUPXSA-N 2 1 290.407 2.317 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000252538502 334382208 /nfs/dbraw/zinc/38/22/08/334382208.db2.gz AQEPXKZNEPWJBO-KKUMJFAQSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c1 ZINC000252538502 334382209 /nfs/dbraw/zinc/38/22/09/334382209.db2.gz AQEPXKZNEPWJBO-KKUMJFAQSA-N 2 1 290.407 2.214 20 10 CECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CC[N@H+]1C ZINC000157680871 524807243 /nfs/dbraw/zinc/80/72/43/524807243.db2.gz ADBLIDFOSXVYOJ-BBRMVZONSA-N 2 1 273.424 2.251 20 10 CECDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[C@@H]21 ZINC000817957714 633799516 /nfs/dbraw/zinc/79/95/16/633799516.db2.gz OMYBXRIVUXEZSS-ULQDDVLXSA-N 2 1 273.424 2.274 20 10 CECDMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1O ZINC000817976851 633820210 /nfs/dbraw/zinc/82/02/10/633820210.db2.gz VMJRDQGTOOGJOC-QMTHXVAHSA-N 2 1 264.344 2.324 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904410136 635616149 /nfs/dbraw/zinc/61/61/49/635616149.db2.gz BHTQMDDURJWWJP-GXTWGEPZSA-N 2 1 279.403 2.308 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000841038211 639628438 /nfs/dbraw/zinc/62/84/38/639628438.db2.gz HFJCLLFBUVCORV-ZDUSSCGKSA-N 2 1 266.385 2.254 20 10 CECDMP COc1cccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1O ZINC000841039244 639629739 /nfs/dbraw/zinc/62/97/39/639629739.db2.gz GSTDJXQMIIVVNF-CQSZACIVSA-N 2 1 278.396 2.398 20 10 CECDMP CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000063191253 639837521 /nfs/dbraw/zinc/83/75/21/639837521.db2.gz SUUMTMRUSUTGDK-OCCSQVGLSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000063191253 639837526 /nfs/dbraw/zinc/83/75/26/639837526.db2.gz SUUMTMRUSUTGDK-OCCSQVGLSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c(O)c1 ZINC000843044597 640249607 /nfs/dbraw/zinc/24/96/07/640249607.db2.gz KXFPNVPMRWPIMZ-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000843048559 640253606 /nfs/dbraw/zinc/25/36/06/640253606.db2.gz HKJWSRVLSMMOBE-AWEZNQCLSA-N 2 1 279.403 2.453 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843055434 640257152 /nfs/dbraw/zinc/25/71/52/640257152.db2.gz CCKOHFZLBOKLSK-UHFFFAOYSA-N 2 1 278.396 2.493 20 10 CECDMP Cc1cc(O)c(C[N@H+](C)CC(C)(C)C[NH3+])cc1C ZINC000843056517 640258314 /nfs/dbraw/zinc/25/83/14/640258314.db2.gz OWSKUPCXSCQRHE-UHFFFAOYSA-N 2 1 250.386 2.426 20 10 CECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC000843059280 640261585 /nfs/dbraw/zinc/26/15/85/640261585.db2.gz JBZZVXGKYFFZAD-SCDSUCTJSA-N 2 1 264.344 2.091 20 10 CECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC000843059280 640261587 /nfs/dbraw/zinc/26/15/87/640261587.db2.gz JBZZVXGKYFFZAD-SCDSUCTJSA-N 2 1 264.344 2.091 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC000843114475 640285576 /nfs/dbraw/zinc/28/55/76/640285576.db2.gz CPMZHYZIOHHNHH-KRWDZBQOSA-N 2 1 290.407 2.366 20 10 CECDMP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843118272 640288371 /nfs/dbraw/zinc/28/83/71/640288371.db2.gz GGJDDCMBAGXEGM-MRXNPFEDSA-N 2 1 260.381 2.276 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843120189 640288943 /nfs/dbraw/zinc/28/89/43/640288943.db2.gz PFSHCPCYODSDJY-UHFFFAOYSA-N 2 1 273.424 2.328 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843128370 640295081 /nfs/dbraw/zinc/29/50/81/640295081.db2.gz WZDUGRNAEFMYIT-SCQSPADBSA-N 2 1 285.435 2.450 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843128370 640295083 /nfs/dbraw/zinc/29/50/83/640295083.db2.gz WZDUGRNAEFMYIT-SCQSPADBSA-N 2 1 285.435 2.450 20 10 CECDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921716705 642559183 /nfs/dbraw/zinc/55/91/83/642559183.db2.gz JOKJTWQFAVPZEE-OAHLLOKOSA-N 2 1 274.408 2.443 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923414071 643701854 /nfs/dbraw/zinc/70/18/54/643701854.db2.gz ZPBKKDYMNORIRS-HIFRSBDPSA-N 2 1 261.413 2.088 20 10 CECDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000839183314 644182774 /nfs/dbraw/zinc/18/27/74/644182774.db2.gz WFAGAINRNUGRMD-CQSZACIVSA-N 2 1 274.408 2.443 20 10 CECDMP COc1cccc(O)c1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000873216015 649593099 /nfs/dbraw/zinc/59/30/99/649593099.db2.gz NKPIEAYIXAYSMO-LBPRGKRZSA-N 2 1 264.369 2.104 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000873216015 649593103 /nfs/dbraw/zinc/59/31/03/649593103.db2.gz NKPIEAYIXAYSMO-LBPRGKRZSA-N 2 1 264.369 2.104 20 10 CECDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1O ZINC000216020717 652964915 /nfs/dbraw/zinc/96/49/15/652964915.db2.gz MLSJHRBHVAZBOQ-VHSXEESVSA-N 2 1 254.761 2.215 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC001118241674 810131870 /nfs/dbraw/zinc/13/18/70/810131870.db2.gz KBEZQXQIVTVVFD-WMLDXEAASA-N 2 1 273.424 2.456 20 10 CECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000397304689 813611691 /nfs/dbraw/zinc/61/16/91/813611691.db2.gz GHDXMDMMJZUQEV-NQBHXWOUSA-N 2 1 266.360 2.337 20 10 CECDMP COc1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc(C[NH+](C)C)c1O ZINC001139259298 815996665 /nfs/dbraw/zinc/99/66/65/815996665.db2.gz PUNAPPKYPSFZQG-HIFRSBDPSA-N 2 1 290.407 2.447 20 10 CECDMP COc1cc(C[N@H+]2CCC[C@H]3C[C@H]32)cc(C[NH+](C)C)c1O ZINC001139259297 815997468 /nfs/dbraw/zinc/99/74/68/815997468.db2.gz PUNAPPKYPSFZQG-DZGCQCFKSA-N 2 1 290.407 2.447 20 10 CECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](F)C3)cc2)CC1 ZINC001140301920 816227336 /nfs/dbraw/zinc/22/73/36/816227336.db2.gz DJHFYTFOKZADTO-INIZCTEOSA-N 2 1 291.414 2.372 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)c1 ZINC001206317299 816679992 /nfs/dbraw/zinc/67/99/92/816679992.db2.gz FKAGJFLIJKLORW-QGZVFWFLSA-N 2 1 291.439 2.409 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000037267115 394497065 /nfs/dbraw/zinc/49/70/65/394497065.db2.gz KOCSLGHGYMKVHA-LLVKDONJSA-N 2 1 264.369 2.146 20 10 CECDMP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000093644615 394669071 /nfs/dbraw/zinc/66/90/71/394669071.db2.gz OMZBXQHDPSCQRE-OCCSQVGLSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000093644615 394669074 /nfs/dbraw/zinc/66/90/74/394669074.db2.gz OMZBXQHDPSCQRE-OCCSQVGLSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000093644615 394669081 /nfs/dbraw/zinc/66/90/81/394669081.db2.gz OMZBXQHDPSCQRE-OCCSQVGLSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000093644615 394669086 /nfs/dbraw/zinc/66/90/86/394669086.db2.gz OMZBXQHDPSCQRE-OCCSQVGLSA-N 2 1 278.396 2.315 20 10 CECDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000180427911 327805824 /nfs/dbraw/zinc/80/58/24/327805824.db2.gz MYAHBZVLZZHNHI-LLVKDONJSA-N 2 1 277.343 2.462 20 10 CECDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000246005293 334227418 /nfs/dbraw/zinc/22/74/18/334227418.db2.gz SGRJFCSVXHKMJN-SWLSCSKDSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000246005293 334227419 /nfs/dbraw/zinc/22/74/19/334227419.db2.gz SGRJFCSVXHKMJN-SWLSCSKDSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000246005293 334227421 /nfs/dbraw/zinc/22/74/21/334227421.db2.gz SGRJFCSVXHKMJN-SWLSCSKDSA-N 2 1 278.371 2.447 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252767415 334391281 /nfs/dbraw/zinc/39/12/81/334391281.db2.gz IFMFNZZBJDLUIJ-OLZOCXBDSA-N 2 1 264.344 2.248 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252767415 334391282 /nfs/dbraw/zinc/39/12/82/334391282.db2.gz IFMFNZZBJDLUIJ-OLZOCXBDSA-N 2 1 264.344 2.248 20 10 CECDMP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1O ZINC000289525739 521010753 /nfs/dbraw/zinc/01/07/53/521010753.db2.gz VSSVKWHPDNGABC-UHFFFAOYSA-N 2 1 296.411 2.183 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1O ZINC000289525739 521010764 /nfs/dbraw/zinc/01/07/64/521010764.db2.gz VSSVKWHPDNGABC-UHFFFAOYSA-N 2 1 296.411 2.183 20 10 CECDMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1O ZINC000290414349 524379676 /nfs/dbraw/zinc/37/96/76/524379676.db2.gz KFYQRUKATXVDGR-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1O ZINC000290414349 524379679 /nfs/dbraw/zinc/37/96/79/524379679.db2.gz KFYQRUKATXVDGR-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290414349 524379683 /nfs/dbraw/zinc/37/96/83/524379683.db2.gz KFYQRUKATXVDGR-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290414349 524379686 /nfs/dbraw/zinc/37/96/86/524379686.db2.gz KFYQRUKATXVDGR-UKRRQHHQSA-N 2 1 262.397 2.473 20 10 CECDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1O ZINC000282205261 525449318 /nfs/dbraw/zinc/44/93/18/525449318.db2.gz HBRHQMVVYFCYBP-CQSZACIVSA-N 2 1 291.439 2.069 20 10 CECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000742207088 575010449 /nfs/dbraw/zinc/01/04/49/575010449.db2.gz OXKYVENEXZNXQK-XJKSGUPXSA-N 2 1 274.408 2.441 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000040592982 623173820 /nfs/dbraw/zinc/17/38/20/623173820.db2.gz XXKVRSMLPSZEDG-LLVKDONJSA-N 2 1 268.788 2.477 20 10 CECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000040592982 623173826 /nfs/dbraw/zinc/17/38/26/623173826.db2.gz XXKVRSMLPSZEDG-LLVKDONJSA-N 2 1 268.788 2.477 20 10 CECDMP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925794824 628840492 /nfs/dbraw/zinc/84/04/92/628840492.db2.gz FQHDDLAXIFIIEX-IJLUTSLNSA-N 2 1 266.360 2.428 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1 ZINC000897621854 631828163 /nfs/dbraw/zinc/82/81/63/631828163.db2.gz WWUMAEYBSIHJHY-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1 ZINC000897621854 631828166 /nfs/dbraw/zinc/82/81/66/631828166.db2.gz WWUMAEYBSIHJHY-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000897621854 631828167 /nfs/dbraw/zinc/82/81/67/631828167.db2.gz WWUMAEYBSIHJHY-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000897621854 631828169 /nfs/dbraw/zinc/82/81/69/631828169.db2.gz WWUMAEYBSIHJHY-WMLDXEAASA-N 2 1 290.407 2.174 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000816649406 633456953 /nfs/dbraw/zinc/45/69/53/633456953.db2.gz YRSYQVJULKDECC-CABCVRRESA-N 2 1 273.424 2.279 20 10 CECDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817901282 633761867 /nfs/dbraw/zinc/76/18/67/633761867.db2.gz AQKZOKVDZOIHIH-HUUCEWRRSA-N 2 1 260.381 2.371 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1O ZINC000226010177 639518497 /nfs/dbraw/zinc/51/84/97/639518497.db2.gz SUISXPROUVYUGS-GXTWGEPZSA-N 2 1 278.396 2.350 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000841049481 639632020 /nfs/dbraw/zinc/63/20/20/639632020.db2.gz SCLOCNBAHZACOI-HYXAFXHYSA-N 2 1 259.397 2.237 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC000841101046 639656215 /nfs/dbraw/zinc/65/62/15/639656215.db2.gz NHOSMKBNFDUDST-GXTWGEPZSA-N 2 1 278.396 2.208 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000841100812 639662111 /nfs/dbraw/zinc/66/21/11/639662111.db2.gz KPQKJDHVXKXCBT-OCCSQVGLSA-N 2 1 278.396 2.208 20 10 CECDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000232666027 639958205 /nfs/dbraw/zinc/95/82/05/639958205.db2.gz YVQXQLQVQUIUNX-GFCCVEGCSA-N 2 1 266.360 2.351 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(O)c1 ZINC000843123452 640290948 /nfs/dbraw/zinc/29/09/48/640290948.db2.gz JOXDELFACMPMOH-AWEZNQCLSA-N 2 1 278.396 2.494 20 10 CECDMP Oc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125661 640291719 /nfs/dbraw/zinc/29/17/19/640291719.db2.gz DKCKMAGILXTXJS-UONOGXRCSA-N 2 1 260.381 2.214 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000843127510 640294120 /nfs/dbraw/zinc/29/41/20/640294120.db2.gz RYDLJOBLKGZZML-GASCZTMLSA-N 2 1 274.408 2.440 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846142291 641198623 /nfs/dbraw/zinc/19/86/23/641198623.db2.gz ZVKIHDFJTONYLT-STQMWFEESA-N 2 1 278.396 2.393 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148650 641637210 /nfs/dbraw/zinc/63/72/10/641637210.db2.gz QYNAFVNGDSFMBN-ZDUSSCGKSA-N 2 1 264.369 2.104 20 10 CECDMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000921631126 642288860 /nfs/dbraw/zinc/28/88/60/642288860.db2.gz JABLLWQJVVFVAD-HNNXBMFYSA-N 2 1 283.375 2.313 20 10 CECDMP Cc1cccc(O)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000877545964 650780069 /nfs/dbraw/zinc/78/00/69/650780069.db2.gz NDHJRPZMJWXDPI-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000877545964 650780071 /nfs/dbraw/zinc/78/00/71/650780071.db2.gz NDHJRPZMJWXDPI-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000877545964 650780073 /nfs/dbraw/zinc/78/00/73/650780073.db2.gz NDHJRPZMJWXDPI-MRXNPFEDSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923493312 643736906 /nfs/dbraw/zinc/73/69/06/643736906.db2.gz RYMBSMZIDFZZHG-HOCLYGCPSA-N 2 1 275.440 2.478 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743569 650888362 /nfs/dbraw/zinc/88/83/62/650888362.db2.gz LDWKPFMVCQBOQU-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743569 650888364 /nfs/dbraw/zinc/88/83/64/650888364.db2.gz LDWKPFMVCQBOQU-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743569 650888366 /nfs/dbraw/zinc/88/83/66/650888366.db2.gz LDWKPFMVCQBOQU-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743569 650888368 /nfs/dbraw/zinc/88/83/68/650888368.db2.gz LDWKPFMVCQBOQU-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(O)c1 ZINC000857226739 644859312 /nfs/dbraw/zinc/85/93/12/644859312.db2.gz YJHPMFGYWLOCHZ-BBRMVZONSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(O)c1 ZINC000857226739 644859317 /nfs/dbraw/zinc/85/93/17/644859317.db2.gz YJHPMFGYWLOCHZ-BBRMVZONSA-N 2 1 276.380 2.104 20 10 CECDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000131512245 652432066 /nfs/dbraw/zinc/43/20/66/652432066.db2.gz VEINKGLCXFLPLA-BXKDBHETSA-N 2 1 254.761 2.357 20 10 CECDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000131512245 652432067 /nfs/dbraw/zinc/43/20/67/652432067.db2.gz VEINKGLCXFLPLA-BXKDBHETSA-N 2 1 254.761 2.357 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000133390024 652624087 /nfs/dbraw/zinc/62/40/87/652624087.db2.gz LVDYHQLETMMSCG-AWEZNQCLSA-N 2 1 266.385 2.206 20 10 CECDMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1C ZINC000697874464 806718579 /nfs/dbraw/zinc/71/85/79/806718579.db2.gz YXQPQRGGFXZYFR-CYBMUJFWSA-N 2 1 250.386 2.433 20 10 CECDMP CC(C)(C)c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1O ZINC001204667474 804384967 /nfs/dbraw/zinc/38/49/67/804384967.db2.gz LNMQSNGZIKUEHP-UHFFFAOYSA-N 2 1 262.397 2.485 20 10 CECDMP CC(C)(C)c1cccc(C[N@H+]2CCC[NH2+]CC2)c1O ZINC001204667474 804384976 /nfs/dbraw/zinc/38/49/76/804384976.db2.gz LNMQSNGZIKUEHP-UHFFFAOYSA-N 2 1 262.397 2.485 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157431 815312480 /nfs/dbraw/zinc/31/24/80/815312480.db2.gz YPFCEPUCAVHXBT-LSDHHAIUSA-N 2 1 265.376 2.014 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157431 815312485 /nfs/dbraw/zinc/31/24/85/815312485.db2.gz YPFCEPUCAVHXBT-LSDHHAIUSA-N 2 1 265.376 2.014 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1O ZINC000923503701 810105622 /nfs/dbraw/zinc/10/56/22/810105622.db2.gz LDNFUURRVMDTAZ-ZYHUDNBSSA-N 2 1 294.370 2.151 20 10 CECDMP CCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000691524099 812001033 /nfs/dbraw/zinc/00/10/33/812001033.db2.gz RFKJXXXJADWKAJ-ZDUSSCGKSA-N 2 1 262.397 2.386 20 10 CECDMP CN1CCCc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc21 ZINC001138356343 815775165 /nfs/dbraw/zinc/77/51/65/815775165.db2.gz LMEBSFAZSIVBIB-CALCHBBNSA-N 2 1 285.435 2.062 20 10 CECDMP CN1CCCc2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)ccc21 ZINC001138356343 815775169 /nfs/dbraw/zinc/77/51/69/815775169.db2.gz LMEBSFAZSIVBIB-CALCHBBNSA-N 2 1 285.435 2.062 20 10 CECDMP CN1CCCc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc21 ZINC001138356343 815775174 /nfs/dbraw/zinc/77/51/74/815775174.db2.gz LMEBSFAZSIVBIB-CALCHBBNSA-N 2 1 285.435 2.062 20 10 CECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140750059 816342425 /nfs/dbraw/zinc/34/24/25/816342425.db2.gz UNWFBNOCSUIXAP-GASCZTMLSA-N 2 1 290.407 2.180 20 10 CECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140750059 816342432 /nfs/dbraw/zinc/34/24/32/816342432.db2.gz UNWFBNOCSUIXAP-GASCZTMLSA-N 2 1 290.407 2.180 20 10 CECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140750059 816342440 /nfs/dbraw/zinc/34/24/40/816342440.db2.gz UNWFBNOCSUIXAP-GASCZTMLSA-N 2 1 290.407 2.180 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)c1 ZINC001206317297 816678427 /nfs/dbraw/zinc/67/84/27/816678427.db2.gz FKAGJFLIJKLORW-KRWDZBQOSA-N 2 1 291.439 2.409 20 10 CECDMP COc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206335553 816763802 /nfs/dbraw/zinc/76/38/02/816763802.db2.gz GDWUMUYOTCBJDR-HNNXBMFYSA-N 2 1 282.359 2.054 20 10 CECDMP COc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206335553 816763807 /nfs/dbraw/zinc/76/38/07/816763807.db2.gz GDWUMUYOTCBJDR-HNNXBMFYSA-N 2 1 282.359 2.054 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180225215 368373479 /nfs/dbraw/zinc/37/34/79/368373479.db2.gz OAZOTJRRSGBDTF-LBPRGKRZSA-N 2 1 266.360 2.305 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180225215 368373487 /nfs/dbraw/zinc/37/34/87/368373487.db2.gz OAZOTJRRSGBDTF-LBPRGKRZSA-N 2 1 266.360 2.305 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180225215 368373491 /nfs/dbraw/zinc/37/34/91/368373491.db2.gz OAZOTJRRSGBDTF-LBPRGKRZSA-N 2 1 266.360 2.305 20 10 CECDMP CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290066068 521689583 /nfs/dbraw/zinc/68/95/83/521689583.db2.gz TVDSVLDHLBJKKZ-INIZCTEOSA-N 2 1 292.423 2.059 20 10 CECDMP CCC[N@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290066068 521689586 /nfs/dbraw/zinc/68/95/86/521689586.db2.gz TVDSVLDHLBJKKZ-INIZCTEOSA-N 2 1 292.423 2.059 20 10 CECDMP CCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290066068 521689587 /nfs/dbraw/zinc/68/95/87/521689587.db2.gz TVDSVLDHLBJKKZ-INIZCTEOSA-N 2 1 292.423 2.059 20 10 CECDMP CCC[NH+](Cc1ccccc1O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290066068 521689590 /nfs/dbraw/zinc/68/95/90/521689590.db2.gz TVDSVLDHLBJKKZ-INIZCTEOSA-N 2 1 292.423 2.059 20 10 CECDMP CCC[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)C1CC1 ZINC000290066072 521689807 /nfs/dbraw/zinc/68/98/07/521689807.db2.gz TVDSVLDHLBJKKZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 10 CECDMP CCC[N@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)C1CC1 ZINC000290066072 521689809 /nfs/dbraw/zinc/68/98/09/521689809.db2.gz TVDSVLDHLBJKKZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 10 CECDMP CCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290066072 521689812 /nfs/dbraw/zinc/68/98/12/521689812.db2.gz TVDSVLDHLBJKKZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 10 CECDMP CCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290066072 521689814 /nfs/dbraw/zinc/68/98/14/521689814.db2.gz TVDSVLDHLBJKKZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277442597 525939822 /nfs/dbraw/zinc/93/98/22/525939822.db2.gz KECHOUQDZGDQPD-AWEZNQCLSA-N 2 1 278.396 2.317 20 10 CECDMP COc1cccc(O)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000729681230 574490789 /nfs/dbraw/zinc/49/07/89/574490789.db2.gz KKHQJVPSAKZPGK-GFCCVEGCSA-N 2 1 289.379 2.332 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000311466474 627666952 /nfs/dbraw/zinc/66/69/52/627666952.db2.gz NHRWDPKUYXVPHM-HOCLYGCPSA-N 2 1 260.381 2.261 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC000841061605 632363769 /nfs/dbraw/zinc/36/37/69/632363769.db2.gz LNLHBYBOGBKJGO-NXEZZACHSA-N 2 1 254.761 2.276 20 10 CECDMP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817955005 633798718 /nfs/dbraw/zinc/79/87/18/633798718.db2.gz OFRHNLUFYNEXMY-QWRGUYRKSA-N 2 1 252.333 2.182 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000817970443 633813937 /nfs/dbraw/zinc/81/39/37/633813937.db2.gz VQKVHVNDHREJHG-CYZMBNFOSA-N 2 1 292.379 2.099 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818431223 633921164 /nfs/dbraw/zinc/92/11/64/633921164.db2.gz HBBUOELCRMBDBT-ZDUSSCGKSA-N 2 1 290.407 2.365 20 10 CECDMP Cc1cc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])ccc1N(C)C ZINC000903865213 635315149 /nfs/dbraw/zinc/31/51/49/635315149.db2.gz YSVOYVUZKVVZNQ-RDJZCZTQSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])ccc1N(C)C ZINC000903865213 635315155 /nfs/dbraw/zinc/31/51/55/635315155.db2.gz YSVOYVUZKVVZNQ-RDJZCZTQSA-N 2 1 273.424 2.374 20 10 CECDMP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C[NH3+] ZINC000904410451 635616903 /nfs/dbraw/zinc/61/69/03/635616903.db2.gz DPPPMWRYUCEPPE-QWRGUYRKSA-N 2 1 268.788 2.462 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC000904410129 635616944 /nfs/dbraw/zinc/61/69/44/635616944.db2.gz BETZLCUHUNJKAY-CHWSQXEVSA-N 2 1 278.396 2.208 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1C[NH3+] ZINC000904410441 635617139 /nfs/dbraw/zinc/61/71/39/635617139.db2.gz DLRKRPJVPQUTQV-MNOVXSKESA-N 2 1 268.788 2.462 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420502 635631951 /nfs/dbraw/zinc/63/19/51/635631951.db2.gz QUCPSTXINOYJNY-CMPLNLGQSA-N 2 1 296.798 2.096 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420502 635631957 /nfs/dbraw/zinc/63/19/57/635631957.db2.gz QUCPSTXINOYJNY-CMPLNLGQSA-N 2 1 296.798 2.096 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000827507685 636339971 /nfs/dbraw/zinc/33/99/71/636339971.db2.gz YVXCVMHBMJQALA-IRXDYDNUSA-N 2 1 285.435 2.280 20 10 CECDMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000876929636 650490449 /nfs/dbraw/zinc/49/04/49/650490449.db2.gz LFZFQCDPMUOCNS-ZDUSSCGKSA-N 2 1 260.381 2.275 20 10 CECDMP Cc1cc(O)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000840921216 639587258 /nfs/dbraw/zinc/58/72/58/639587258.db2.gz WETPAANLQGEIET-QWRGUYRKSA-N 2 1 266.772 2.005 20 10 CECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(OCC)ccc1O ZINC000841030230 639622446 /nfs/dbraw/zinc/62/24/46/639622446.db2.gz VCDZCCZEUKIAEU-CYBMUJFWSA-N 2 1 266.385 2.398 20 10 CECDMP CC(C)[C@@H]([NH3+])C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841031466 639624244 /nfs/dbraw/zinc/62/42/44/639624244.db2.gz SIGFLESETLRCBR-JFDDCEBESA-N 2 1 261.413 2.339 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(O)c1 ZINC000841101050 639667208 /nfs/dbraw/zinc/66/72/08/639667208.db2.gz NHOSMKBNFDUDST-OCCSQVGLSA-N 2 1 278.396 2.208 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000843047841 640252035 /nfs/dbraw/zinc/25/20/35/640252035.db2.gz YKQPPXRWWXIYGR-WMHVBEDNSA-N 2 1 273.424 2.437 20 10 CECDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000843058698 640261905 /nfs/dbraw/zinc/26/19/05/640261905.db2.gz WHAMBXSFODACND-ATQQARJTSA-N 2 1 273.424 2.435 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000843114956 640285360 /nfs/dbraw/zinc/28/53/60/640285360.db2.gz LRKVVJNXSOHJTF-VGOKWCNXSA-N 2 1 273.424 2.437 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000844902926 640861460 /nfs/dbraw/zinc/86/14/60/640861460.db2.gz XTVVHSWATQJQNQ-HOCLYGCPSA-N 2 1 260.381 2.261 20 10 CECDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179633862 641371467 /nfs/dbraw/zinc/37/14/67/641371467.db2.gz MTTVWNHYJNEVHK-NSHDSACASA-N 2 1 268.788 2.429 20 10 CECDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179633862 641371480 /nfs/dbraw/zinc/37/14/80/641371480.db2.gz MTTVWNHYJNEVHK-NSHDSACASA-N 2 1 268.788 2.429 20 10 CECDMP CN(C)c1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000843059154 644791779 /nfs/dbraw/zinc/79/17/79/644791779.db2.gz DXAXAOCFMKFDEN-INIZCTEOSA-N 2 1 261.413 2.184 20 10 CECDMP COc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858137163 645071989 /nfs/dbraw/zinc/07/19/89/645071989.db2.gz HXMJMCUWKAFDPJ-ZDUSSCGKSA-N 2 1 278.396 2.363 20 10 CECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775652042 646975877 /nfs/dbraw/zinc/97/58/77/646975877.db2.gz FGLZGGVUJBWZAC-UHFFFAOYSA-N 2 1 273.424 2.423 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204782772 805954968 /nfs/dbraw/zinc/95/49/68/805954968.db2.gz IYOUBNBEYPWPJJ-INIZCTEOSA-N 2 1 277.412 2.162 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204782772 805954979 /nfs/dbraw/zinc/95/49/79/805954979.db2.gz IYOUBNBEYPWPJJ-INIZCTEOSA-N 2 1 277.412 2.162 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000723698483 802926067 /nfs/dbraw/zinc/92/60/67/802926067.db2.gz HHQAPVZGYUSNLS-JTQLQIEISA-N 2 1 284.787 2.225 20 10 CECDMP CCc1cccc(C[NH2+]CCn2cc[nH+]c2C)c1O ZINC000709420165 809961423 /nfs/dbraw/zinc/96/14/23/809961423.db2.gz XCQLCCCTNIZQBT-UHFFFAOYSA-N 2 1 259.353 2.249 20 10 CECDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000392226526 813299908 /nfs/dbraw/zinc/29/99/08/813299908.db2.gz OJJWSTONKZKMLG-UHFFFAOYSA-N 2 1 266.772 2.397 20 10 CECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C[NH3+] ZINC000397304691 813611930 /nfs/dbraw/zinc/61/19/30/813611930.db2.gz GHDXMDMMJZUQEV-NTZNESFSSA-N 2 1 266.360 2.337 20 10 CECDMP COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139253335 815997164 /nfs/dbraw/zinc/99/71/64/815997164.db2.gz RDIFNHKTEWRYIO-RISCZKNCSA-N 2 1 296.386 2.252 20 10 CECDMP COc1cc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139253335 815997169 /nfs/dbraw/zinc/99/71/69/815997169.db2.gz RDIFNHKTEWRYIO-RISCZKNCSA-N 2 1 296.386 2.252 20 10 CECDMP Cc1c(O)ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1O ZINC001140747723 816340770 /nfs/dbraw/zinc/34/07/70/816340770.db2.gz JPZVCGVUVZLMJQ-UHFFFAOYSA-N 2 1 290.407 2.465 20 10 CECDMP Cc1c(O)ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1O ZINC001140747723 816340775 /nfs/dbraw/zinc/34/07/75/816340775.db2.gz JPZVCGVUVZLMJQ-UHFFFAOYSA-N 2 1 290.407 2.465 20 10 CECDMP Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1O ZINC000124680685 365656453 /nfs/dbraw/zinc/65/64/53/365656453.db2.gz FVIKPVXPJPRFMZ-UHFFFAOYSA-N 2 1 260.381 2.417 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2O)C1 ZINC000093770481 394668861 /nfs/dbraw/zinc/66/88/61/394668861.db2.gz WLWWXOUENSWJEQ-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093770481 394668865 /nfs/dbraw/zinc/66/88/65/394668865.db2.gz WLWWXOUENSWJEQ-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000093770481 394668868 /nfs/dbraw/zinc/66/88/68/394668868.db2.gz WLWWXOUENSWJEQ-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1O ZINC000105442918 394722030 /nfs/dbraw/zinc/72/20/30/394722030.db2.gz BVLHDPZTYGPMNQ-LBPRGKRZSA-N 2 1 259.353 2.323 20 10 CECDMP CN1CCCc2cc(C[NH2+]C3CC[NH+](C)CC3)ccc21 ZINC000050286468 623385770 /nfs/dbraw/zinc/38/57/70/623385770.db2.gz KIBFYWSGUFNNLS-UHFFFAOYSA-N 2 1 273.424 2.253 20 10 CECDMP COc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000725845538 625743058 /nfs/dbraw/zinc/74/30/58/625743058.db2.gz CRPLCPVOTZMWTN-CHWSQXEVSA-N 2 1 276.380 2.117 20 10 CECDMP COc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000725845538 625743065 /nfs/dbraw/zinc/74/30/65/625743065.db2.gz CRPLCPVOTZMWTN-CHWSQXEVSA-N 2 1 276.380 2.117 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000895669683 630299524 /nfs/dbraw/zinc/29/95/24/630299524.db2.gz AOXQZDSOFYHKJJ-UHFFFAOYSA-N 2 1 290.407 2.461 20 10 CECDMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000817981689 633824752 /nfs/dbraw/zinc/82/47/52/633824752.db2.gz MPTMIPQYBZEZLJ-UONOGXRCSA-N 2 1 260.381 2.487 20 10 CECDMP C[C@H]1CC2(C[N@H+]1Cc1cc(F)ccc1O)CC[NH2+]CC2 ZINC000818431373 633920676 /nfs/dbraw/zinc/92/06/76/633920676.db2.gz KALVTDDDZMJWTD-LBPRGKRZSA-N 2 1 278.371 2.495 20 10 CECDMP Oc1ccccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960166 635370009 /nfs/dbraw/zinc/37/00/09/635370009.db2.gz YCWKMMZEKKGISN-MRXNPFEDSA-N 2 1 260.381 2.358 20 10 CECDMP [NH3+]CC[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000904405806 635612242 /nfs/dbraw/zinc/61/22/42/635612242.db2.gz PTWGAQFCZWSIDS-VIFPVBQESA-N 2 1 272.751 2.355 20 10 CECDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000904405806 635612245 /nfs/dbraw/zinc/61/22/45/635612245.db2.gz PTWGAQFCZWSIDS-VIFPVBQESA-N 2 1 272.751 2.355 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420545 635631018 /nfs/dbraw/zinc/63/10/18/635631018.db2.gz SEMQXNXYUKESRM-OPCNFVSTSA-N 2 1 285.435 2.307 20 10 CECDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000827855790 636442883 /nfs/dbraw/zinc/44/28/83/636442883.db2.gz IMYIJJYVLCLMFN-HNNXBMFYSA-N 2 1 296.386 2.074 20 10 CECDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000827855790 636442889 /nfs/dbraw/zinc/44/28/89/636442889.db2.gz IMYIJJYVLCLMFN-HNNXBMFYSA-N 2 1 296.386 2.074 20 10 CECDMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(O)c1 ZINC000876597166 650352481 /nfs/dbraw/zinc/35/24/81/650352481.db2.gz LYIHNLIJBVYPBH-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000876597166 650352487 /nfs/dbraw/zinc/35/24/87/650352487.db2.gz LYIHNLIJBVYPBH-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000876597166 650352490 /nfs/dbraw/zinc/35/24/90/650352490.db2.gz LYIHNLIJBVYPBH-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Oc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088342 637701679 /nfs/dbraw/zinc/70/16/79/637701679.db2.gz VCEBBHIKFXNPRG-IUODEOHRSA-N 2 1 278.371 2.495 20 10 CECDMP Oc1c(F)cccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088342 637701683 /nfs/dbraw/zinc/70/16/83/637701683.db2.gz VCEBBHIKFXNPRG-IUODEOHRSA-N 2 1 278.371 2.495 20 10 CECDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876940375 650497247 /nfs/dbraw/zinc/49/72/47/650497247.db2.gz SFBCEJXPTXVOBU-GJZGRUSLSA-N 2 1 260.381 2.417 20 10 CECDMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000841028991 639621154 /nfs/dbraw/zinc/62/11/54/639621154.db2.gz DCDGIVANLNZUNY-ZWNOBZJWSA-N 2 1 252.333 2.138 20 10 CECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841029810 639622308 /nfs/dbraw/zinc/62/23/08/639622308.db2.gz SKZDWKZEOCDTGF-ZDUSSCGKSA-N 2 1 267.392 2.499 20 10 CECDMP COc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1O ZINC000841039243 639629847 /nfs/dbraw/zinc/62/98/47/639629847.db2.gz GSTDJXQMIIVVNF-AWEZNQCLSA-N 2 1 278.396 2.398 20 10 CECDMP Oc1ccc(F)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043797 640249791 /nfs/dbraw/zinc/24/97/91/640249791.db2.gz HSLZHTMOWGVUMI-UHFFFAOYSA-N 2 1 264.344 2.248 20 10 CECDMP Cc1cc(Br)c(O)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000843050610 640254538 /nfs/dbraw/zinc/25/45/38/640254538.db2.gz LYKFMTIIUGOXKG-UHFFFAOYSA-N 2 1 287.201 2.244 20 10 CECDMP Cc1cc(Br)c(O)c(C[N@H+](C)CCC[NH3+])c1 ZINC000843050610 640254534 /nfs/dbraw/zinc/25/45/34/640254534.db2.gz LYKFMTIIUGOXKG-UHFFFAOYSA-N 2 1 287.201 2.244 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120459 640289157 /nfs/dbraw/zinc/28/91/57/640289157.db2.gz LHMJBZWZAXFEPZ-QGZVFWFLSA-N 2 1 273.424 2.246 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843121053 640289471 /nfs/dbraw/zinc/28/94/71/640289471.db2.gz ZRQIXWKNUMMDBC-JXCVUKRWSA-N 2 1 285.435 2.451 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843121053 640289476 /nfs/dbraw/zinc/28/94/76/640289476.db2.gz ZRQIXWKNUMMDBC-JXCVUKRWSA-N 2 1 285.435 2.451 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843125913 640291588 /nfs/dbraw/zinc/29/15/88/640291588.db2.gz CLJWJPXDSSWJEJ-DOTOQJQBSA-N 2 1 273.424 2.245 20 10 CECDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000844221080 640635943 /nfs/dbraw/zinc/63/59/43/640635943.db2.gz SPCMZNFIAINODO-UHFFFAOYSA-N 2 1 291.439 2.084 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1N(C)C ZINC000923398932 643697228 /nfs/dbraw/zinc/69/72/28/643697228.db2.gz OSHCPQQPELHNPU-WBVHZDCISA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1N(C)C ZINC000923398932 643697230 /nfs/dbraw/zinc/69/72/30/643697230.db2.gz OSHCPQQPELHNPU-WBVHZDCISA-N 2 1 273.424 2.374 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857230144 644860885 /nfs/dbraw/zinc/86/08/85/644860885.db2.gz ODJANBKOLXDTOA-HOCLYGCPSA-N 2 1 259.397 2.066 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857230144 644860888 /nfs/dbraw/zinc/86/08/88/644860888.db2.gz ODJANBKOLXDTOA-HOCLYGCPSA-N 2 1 259.397 2.066 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000770352403 646381539 /nfs/dbraw/zinc/38/15/39/646381539.db2.gz NLDIEIVAAZUKMW-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000770352403 646381542 /nfs/dbraw/zinc/38/15/42/646381542.db2.gz NLDIEIVAAZUKMW-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP COc1cccc(O)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000770352403 646381546 /nfs/dbraw/zinc/38/15/46/646381546.db2.gz NLDIEIVAAZUKMW-UKRRQHHQSA-N 2 1 290.407 2.317 20 10 CECDMP C[NH2+]CCOCC[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000863647614 646776451 /nfs/dbraw/zinc/77/64/51/646776451.db2.gz SEJJXWWCHINLDM-UHFFFAOYSA-N 2 1 286.803 2.022 20 10 CECDMP CCOc1cccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863651510 646777211 /nfs/dbraw/zinc/77/72/11/646777211.db2.gz KDBFLEFOOIWWCV-CALCHBBNSA-N 2 1 290.407 2.222 20 10 CECDMP CCOc1cccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863651510 646777213 /nfs/dbraw/zinc/77/72/13/646777213.db2.gz KDBFLEFOOIWWCV-CALCHBBNSA-N 2 1 290.407 2.222 20 10 CECDMP Cc1cc(Cl)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000775746926 646986345 /nfs/dbraw/zinc/98/63/45/646986345.db2.gz HYKUJMKDPUQAFN-TXEJJXNPSA-N 2 1 266.772 2.005 20 10 CECDMP Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000775746926 646986347 /nfs/dbraw/zinc/98/63/47/646986347.db2.gz HYKUJMKDPUQAFN-TXEJJXNPSA-N 2 1 266.772 2.005 20 10 CECDMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000873216320 649593059 /nfs/dbraw/zinc/59/30/59/649593059.db2.gz MSHUAYWOBKMRLP-RCELQXLSSA-N 2 1 273.424 2.292 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873226990 649598624 /nfs/dbraw/zinc/59/86/24/649598624.db2.gz ARJDALFQCSUXBY-NWDGAFQWSA-N 2 1 288.313 2.270 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000873226989 649598673 /nfs/dbraw/zinc/59/86/73/649598673.db2.gz ARJDALFQCSUXBY-NEPJUHHUSA-N 2 1 288.313 2.270 20 10 CECDMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142527073 806619383 /nfs/dbraw/zinc/61/93/83/806619383.db2.gz JRXZDIDTSWFPTH-UHFFFAOYSA-N 2 1 282.334 2.198 20 10 CECDMP C[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206026831 811839760 /nfs/dbraw/zinc/83/97/60/811839760.db2.gz UCCYUGVTZYMXPT-MNOVXSKESA-N 2 1 284.350 2.477 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206026831 811839770 /nfs/dbraw/zinc/83/97/70/811839770.db2.gz UCCYUGVTZYMXPT-MNOVXSKESA-N 2 1 284.350 2.477 20 10 CECDMP COc1ccc(O)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000700817567 809356298 /nfs/dbraw/zinc/35/62/98/809356298.db2.gz VPOIMQGUVFKYMS-CYBMUJFWSA-N 2 1 278.396 2.222 20 10 CECDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1C[NH3+] ZINC000708888920 809937489 /nfs/dbraw/zinc/93/74/89/809937489.db2.gz IUUWGGFTWLGVHU-VHSXEESVSA-N 2 1 254.761 2.072 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709827393 809971854 /nfs/dbraw/zinc/97/18/54/809971854.db2.gz KXUZVIROQIEJLO-HNNXBMFYSA-N 2 1 264.344 2.107 20 10 CECDMP COc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206335556 816763733 /nfs/dbraw/zinc/76/37/33/816763733.db2.gz GDWUMUYOTCBJDR-OAHLLOKOSA-N 2 1 282.359 2.054 20 10 CECDMP COc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206335556 816763736 /nfs/dbraw/zinc/76/37/36/816763736.db2.gz GDWUMUYOTCBJDR-OAHLLOKOSA-N 2 1 282.359 2.054 20 10 CECDMP COc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1O ZINC000105442785 394721674 /nfs/dbraw/zinc/72/16/74/394721674.db2.gz PIDVXGMTEAFENB-GFCCVEGCSA-N 2 1 289.379 2.332 20 10 CECDMP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000092253759 327191131 /nfs/dbraw/zinc/19/11/31/327191131.db2.gz BHCUGGIDTIDXLM-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1O ZINC000092253759 327191132 /nfs/dbraw/zinc/19/11/32/327191132.db2.gz BHCUGGIDTIDXLM-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000092253759 327191134 /nfs/dbraw/zinc/19/11/34/327191134.db2.gz BHCUGGIDTIDXLM-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cc(C)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000894783023 629640431 /nfs/dbraw/zinc/64/04/31/629640431.db2.gz PGQHMPMGMBHOGV-DZGCQCFKSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000894783023 629640434 /nfs/dbraw/zinc/64/04/34/629640434.db2.gz PGQHMPMGMBHOGV-DZGCQCFKSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000894783023 629640435 /nfs/dbraw/zinc/64/04/35/629640435.db2.gz PGQHMPMGMBHOGV-DZGCQCFKSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000894783023 629640451 /nfs/dbraw/zinc/64/04/51/629640451.db2.gz PGQHMPMGMBHOGV-DZGCQCFKSA-N 2 1 292.423 2.481 20 10 CECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163436802 631575087 /nfs/dbraw/zinc/57/50/87/631575087.db2.gz YVVYBSYCBBGLND-HIFRSBDPSA-N 2 1 261.413 2.169 20 10 CECDMP CCN(CC)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1F ZINC000904449204 635641110 /nfs/dbraw/zinc/64/11/10/635641110.db2.gz GJULOIZUKRKKRG-UHFFFAOYSA-N 2 1 265.376 2.253 20 10 CECDMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817982290 633825029 /nfs/dbraw/zinc/82/50/29/633825029.db2.gz QXLHDEFFUUCOAF-IRXDYDNUSA-N 2 1 291.439 2.172 20 10 CECDMP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(F)c1O)CC[NH2+]CC2 ZINC000818431915 633921445 /nfs/dbraw/zinc/92/14/45/633921445.db2.gz VYNQEVUSPABINL-GFCCVEGCSA-N 2 1 278.371 2.495 20 10 CECDMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(F)c1O)CC[NH2+]CC2 ZINC000818431915 633921449 /nfs/dbraw/zinc/92/14/49/633921449.db2.gz VYNQEVUSPABINL-GFCCVEGCSA-N 2 1 278.371 2.495 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC000904411583 635619411 /nfs/dbraw/zinc/61/94/11/635619411.db2.gz NTAQGLFGESHSMC-ZIAGYGMSSA-N 2 1 262.397 2.426 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412537 635620570 /nfs/dbraw/zinc/62/05/70/635620570.db2.gz VKIBZVZVSDIOPT-STQMWFEESA-N 2 1 278.396 2.208 20 10 CECDMP Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000827549079 636350378 /nfs/dbraw/zinc/35/03/78/636350378.db2.gz AFJDKKTTYCRVKV-INIZCTEOSA-N 2 1 290.407 2.044 20 10 CECDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000044533025 639321468 /nfs/dbraw/zinc/32/14/68/639321468.db2.gz FUIBIIABFLZOAP-CQSZACIVSA-N 2 1 260.381 2.053 20 10 CECDMP Cc1cc(Cl)cc(C[NH2+][C@H](C[NH3+])C2CC2)c1O ZINC000841027659 639620617 /nfs/dbraw/zinc/62/06/17/639620617.db2.gz DUNKQESFKHYCLM-GFCCVEGCSA-N 2 1 254.761 2.181 20 10 CECDMP Cc1cc(O)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1C ZINC000841087918 639652132 /nfs/dbraw/zinc/65/21/32/639652132.db2.gz UBEQECNJOXHUSU-AWEZNQCLSA-N 2 1 250.386 2.472 20 10 CECDMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c(O)c1 ZINC000841085648 639652203 /nfs/dbraw/zinc/65/22/03/639652203.db2.gz AESWGWDTYQIXCF-HNNXBMFYSA-N 2 1 278.396 2.398 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000841100961 639666046 /nfs/dbraw/zinc/66/60/46/639666046.db2.gz QCSLNHKIUDTHJF-KRWDZBQOSA-N 2 1 291.439 2.082 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000843048381 640252380 /nfs/dbraw/zinc/25/23/80/640252380.db2.gz OPGNJNJBRSYKST-JTQLQIEISA-N 2 1 254.761 2.135 20 10 CECDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843048731 640253837 /nfs/dbraw/zinc/25/38/37/640253837.db2.gz UXGDILBKKWZJIP-INIZCTEOSA-N 2 1 273.424 2.458 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843125826 640291642 /nfs/dbraw/zinc/29/16/42/640291642.db2.gz AKNFRZCIDUJQKP-IYBDPMFKSA-N 2 1 287.451 2.492 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000846698522 641400259 /nfs/dbraw/zinc/40/02/59/641400259.db2.gz IHEOOZHPALTUAG-YPMHNXCESA-N 2 1 264.369 2.103 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921524368 642190344 /nfs/dbraw/zinc/19/03/44/642190344.db2.gz MEPYSXCRLAXDMC-UHFFFAOYSA-N 2 1 292.423 2.070 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1N(C)C ZINC000923358688 643677131 /nfs/dbraw/zinc/67/71/31/643677131.db2.gz KNZWGMMFQFLJTA-HOTGVXAUSA-N 2 1 273.424 2.245 20 10 CECDMP C[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2c1c(F)ccc2O ZINC000854226031 644016364 /nfs/dbraw/zinc/01/63/64/644016364.db2.gz CSGCLXNSQWUXAX-DHYSWEFNSA-N 2 1 276.355 2.421 20 10 CECDMP COc1cccc(O)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183829 644182088 /nfs/dbraw/zinc/18/20/88/644182088.db2.gz ZQXBQWNIDGBIKD-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)ccc4ccncc43)CC[C@@H]21 ZINC000872726680 649469695 /nfs/dbraw/zinc/46/96/95/649469695.db2.gz UIFRBMPCNYGTBR-PBHICJAKSA-N 2 1 297.402 2.466 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CC[C@@H]21 ZINC000872726680 649469698 /nfs/dbraw/zinc/46/96/98/649469698.db2.gz UIFRBMPCNYGTBR-PBHICJAKSA-N 2 1 297.402 2.466 20 10 CECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)CC[C@@H]21 ZINC000872726680 649469702 /nfs/dbraw/zinc/46/97/02/649469702.db2.gz UIFRBMPCNYGTBR-PBHICJAKSA-N 2 1 297.402 2.466 20 10 CECDMP COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000872725540 649470152 /nfs/dbraw/zinc/47/01/52/649470152.db2.gz UDNYXLWWAJTPSP-HIFRSBDPSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000872725540 649470157 /nfs/dbraw/zinc/47/01/57/649470157.db2.gz UDNYXLWWAJTPSP-HIFRSBDPSA-N 2 1 290.407 2.235 20 10 CECDMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1O ZINC000872725540 649470159 /nfs/dbraw/zinc/47/01/59/649470159.db2.gz UDNYXLWWAJTPSP-HIFRSBDPSA-N 2 1 290.407 2.235 20 10 CECDMP CCC[N@H+](Cc1ccccc1O)CC12CC(C1)C[NH2+]2 ZINC000873204370 649587729 /nfs/dbraw/zinc/58/77/29/649587729.db2.gz CFAXFBVVHFXDDT-UHFFFAOYSA-N 2 1 260.381 2.356 20 10 CECDMP CCC[N@@H+](Cc1ccccc1O)CC12CC(C1)C[NH2+]2 ZINC000873204370 649587732 /nfs/dbraw/zinc/58/77/32/649587732.db2.gz CFAXFBVVHFXDDT-UHFFFAOYSA-N 2 1 260.381 2.356 20 10 CECDMP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1O ZINC000873258781 649613297 /nfs/dbraw/zinc/61/32/97/649613297.db2.gz VZNGENRJGZZHRU-GAFUQQFSSA-N 2 1 252.333 2.309 20 10 CECDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000131512636 652432195 /nfs/dbraw/zinc/43/21/95/652432195.db2.gz VEINKGLCXFLPLA-SKDRFNHKSA-N 2 1 254.761 2.357 20 10 CECDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000131512636 652432197 /nfs/dbraw/zinc/43/21/97/652432197.db2.gz VEINKGLCXFLPLA-SKDRFNHKSA-N 2 1 254.761 2.357 20 10 CECDMP CCN1CCC([N@@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC000131570254 652437665 /nfs/dbraw/zinc/43/76/65/652437665.db2.gz MZWQZRVBYMAKNT-UHFFFAOYSA-N 2 1 278.396 2.317 20 10 CECDMP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC000131570254 652437669 /nfs/dbraw/zinc/43/76/69/652437669.db2.gz MZWQZRVBYMAKNT-UHFFFAOYSA-N 2 1 278.396 2.317 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996433 814979198 /nfs/dbraw/zinc/97/91/98/814979198.db2.gz CNODLFNIZNNMRS-IAGOWNOFSA-N 2 1 273.424 2.469 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996433 814979202 /nfs/dbraw/zinc/97/92/02/814979202.db2.gz CNODLFNIZNNMRS-IAGOWNOFSA-N 2 1 273.424 2.469 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000709872036 809974033 /nfs/dbraw/zinc/97/40/33/809974033.db2.gz XIPOOHZROVRHCV-KRWDZBQOSA-N 2 1 273.424 2.328 20 10 CECDMP C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206026832 811837816 /nfs/dbraw/zinc/83/78/16/811837816.db2.gz UCCYUGVTZYMXPT-QWRGUYRKSA-N 2 1 284.350 2.477 20 10 CECDMP C[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206026832 811837825 /nfs/dbraw/zinc/83/78/25/811837825.db2.gz UCCYUGVTZYMXPT-QWRGUYRKSA-N 2 1 284.350 2.477 20 10 CECDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001206293395 816521878 /nfs/dbraw/zinc/52/18/78/816521878.db2.gz HLLMOXGYFYVAAR-HNNXBMFYSA-N 2 1 264.369 2.049 20 10 CECDMP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285929056 375846311 /nfs/dbraw/zinc/84/63/11/375846311.db2.gz FDNXTSCFLNXTFT-AWEZNQCLSA-N 2 1 296.386 2.029 20 10 CECDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1O ZINC000183496483 395258032 /nfs/dbraw/zinc/25/80/32/395258032.db2.gz LUBBUOAGVUYMCL-OAHLLOKOSA-N 2 1 291.439 2.070 20 10 CECDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC000293617485 277086734 /nfs/dbraw/zinc/08/67/34/277086734.db2.gz KMHMZXZMJLCGBO-INIZCTEOSA-N 2 1 260.381 2.310 20 10 CECDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000293617485 277086735 /nfs/dbraw/zinc/08/67/35/277086735.db2.gz KMHMZXZMJLCGBO-INIZCTEOSA-N 2 1 260.381 2.310 20 10 CECDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000293617485 277086736 /nfs/dbraw/zinc/08/67/36/277086736.db2.gz KMHMZXZMJLCGBO-INIZCTEOSA-N 2 1 260.381 2.310 20 10 CECDMP COc1cccc(O)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000729681232 574490708 /nfs/dbraw/zinc/49/07/08/574490708.db2.gz KKHQJVPSAKZPGK-LBPRGKRZSA-N 2 1 289.379 2.332 20 10 CECDMP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000090721531 623543966 /nfs/dbraw/zinc/54/39/66/623543966.db2.gz VWYUFMJQRUEVLT-TZMCWYRMSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000090721531 623543970 /nfs/dbraw/zinc/54/39/70/623543970.db2.gz VWYUFMJQRUEVLT-TZMCWYRMSA-N 2 1 278.396 2.363 20 10 CECDMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817982291 633824301 /nfs/dbraw/zinc/82/43/01/633824301.db2.gz QXLHDEFFUUCOAF-SJORKVTESA-N 2 1 291.439 2.172 20 10 CECDMP CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(C[NH3+])cc2)cc1 ZINC000904353228 635585225 /nfs/dbraw/zinc/58/52/25/635585225.db2.gz JJWVZFODBCIOJY-SFHVURJKSA-N 2 1 298.434 2.001 20 10 CECDMP CCOCc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OC ZINC000841027501 639620517 /nfs/dbraw/zinc/62/05/17/639620517.db2.gz CKJWPYAOIXKFOT-OAHLLOKOSA-N 2 1 278.396 2.059 20 10 CECDMP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000841051623 639633312 /nfs/dbraw/zinc/63/33/12/639633312.db2.gz SVVAYTBAEWVNOF-CWDCEQMOSA-N 2 1 259.397 2.093 20 10 CECDMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(O)c1 ZINC000843045864 640251113 /nfs/dbraw/zinc/25/11/13/640251113.db2.gz LHTNHQJKIBBPQM-IUODEOHRSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(O)c1 ZINC000843045864 640251117 /nfs/dbraw/zinc/25/11/17/640251117.db2.gz LHTNHQJKIBBPQM-IUODEOHRSA-N 2 1 278.396 2.493 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843058674 640260921 /nfs/dbraw/zinc/26/09/21/640260921.db2.gz VSJXVTDCYSQTPM-WCQYABFASA-N 2 1 265.376 2.061 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843125916 640292457 /nfs/dbraw/zinc/29/24/57/640292457.db2.gz CLJWJPXDSSWJEJ-RDJZCZTQSA-N 2 1 273.424 2.245 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1N(C)C ZINC000923429256 643708183 /nfs/dbraw/zinc/70/81/83/643708183.db2.gz RXWLMEPLGCRILC-GDBMZVCRSA-N 2 1 275.440 2.478 20 10 CECDMP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854216636 644013237 /nfs/dbraw/zinc/01/32/37/644013237.db2.gz BNZPQFYZGXGJFZ-VBQJREDUSA-N 2 1 289.423 2.004 20 10 CECDMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C)cc1O ZINC000854226176 644016591 /nfs/dbraw/zinc/01/65/91/644016591.db2.gz DRBFJUYWEBEAFU-UGWHAMFMSA-N 2 1 260.381 2.493 20 10 CECDMP COc1cccc(O)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858245735 645097799 /nfs/dbraw/zinc/09/77/99/645097799.db2.gz WQBSPGRZGIIURQ-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775660555 646977326 /nfs/dbraw/zinc/97/73/26/646977326.db2.gz GERRWVSCOFDNMK-OAHLLOKOSA-N 2 1 273.424 2.280 20 10 CECDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC001140059001 816180897 /nfs/dbraw/zinc/18/08/97/816180897.db2.gz SOZJRXQKSVYUAB-UHFFFAOYSA-N 2 1 278.371 2.449 20 10 CECDMP CCOc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206369839 816835776 /nfs/dbraw/zinc/83/57/76/816835776.db2.gz JAAVIICHRNWXSN-MRXNPFEDSA-N 2 1 296.386 2.444 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206369839 816835782 /nfs/dbraw/zinc/83/57/82/816835782.db2.gz JAAVIICHRNWXSN-MRXNPFEDSA-N 2 1 296.386 2.444 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037644659 361918378 /nfs/dbraw/zinc/91/83/78/361918378.db2.gz PQEWTYIRLBBURD-CQSZACIVSA-N 2 1 260.381 2.053 20 10 CECDMP CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226582404 370347088 /nfs/dbraw/zinc/34/70/88/370347088.db2.gz DYEFCPGGDZCIKN-UHFFFAOYSA-N 2 1 252.333 2.105 20 10 CECDMP Cc1cc(O)c(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000271851384 373203359 /nfs/dbraw/zinc/20/33/59/373203359.db2.gz TVABJFPINLNYLU-UHFFFAOYSA-N 2 1 260.381 2.361 20 10 CECDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC000293617491 377658659 /nfs/dbraw/zinc/65/86/59/377658659.db2.gz KMHMZXZMJLCGBO-MRXNPFEDSA-N 2 1 260.381 2.310 20 10 CECDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000293617491 377658669 /nfs/dbraw/zinc/65/86/69/377658669.db2.gz KMHMZXZMJLCGBO-MRXNPFEDSA-N 2 1 260.381 2.310 20 10 CECDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000293617491 377658672 /nfs/dbraw/zinc/65/86/72/377658672.db2.gz KMHMZXZMJLCGBO-MRXNPFEDSA-N 2 1 260.381 2.310 20 10 CECDMP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1O ZINC000093644614 394668352 /nfs/dbraw/zinc/66/83/52/394668352.db2.gz OMZBXQHDPSCQRE-GXTWGEPZSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1O ZINC000093644614 394668355 /nfs/dbraw/zinc/66/83/55/394668355.db2.gz OMZBXQHDPSCQRE-GXTWGEPZSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000093644614 394668358 /nfs/dbraw/zinc/66/83/58/394668358.db2.gz OMZBXQHDPSCQRE-GXTWGEPZSA-N 2 1 278.396 2.315 20 10 CECDMP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000093644614 394668360 /nfs/dbraw/zinc/66/83/60/394668360.db2.gz OMZBXQHDPSCQRE-GXTWGEPZSA-N 2 1 278.396 2.315 20 10 CECDMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000037363291 260095061 /nfs/dbraw/zinc/09/50/61/260095061.db2.gz WRNHFEGCICMEFG-HZPDHXFCSA-N 2 1 272.392 2.338 20 10 CECDMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000037363291 260095063 /nfs/dbraw/zinc/09/50/63/260095063.db2.gz WRNHFEGCICMEFG-HZPDHXFCSA-N 2 1 272.392 2.338 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185008571 262037805 /nfs/dbraw/zinc/03/78/05/262037805.db2.gz BQYNPKNTEAQQPM-ZDUSSCGKSA-N 2 1 296.411 2.020 20 10 CECDMP CN1CCc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000250396334 333305072 /nfs/dbraw/zinc/30/50/72/333305072.db2.gz QYXGIRHKZFNVIR-IRXDYDNUSA-N 2 1 285.435 2.395 20 10 CECDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000037256073 525400883 /nfs/dbraw/zinc/40/08/83/525400883.db2.gz XSOGTZLQMIJOIR-CYBMUJFWSA-N 2 1 261.413 2.497 20 10 CECDMP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290466433 525919086 /nfs/dbraw/zinc/91/90/86/525919086.db2.gz NGVPPFVBGGCZOK-JSGCOSHPSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290466433 525919098 /nfs/dbraw/zinc/91/90/98/525919098.db2.gz NGVPPFVBGGCZOK-JSGCOSHPSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000290466433 525919105 /nfs/dbraw/zinc/91/91/05/525919105.db2.gz NGVPPFVBGGCZOK-JSGCOSHPSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000290466433 525919115 /nfs/dbraw/zinc/91/91/15/525919115.db2.gz NGVPPFVBGGCZOK-JSGCOSHPSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000816642267 633454829 /nfs/dbraw/zinc/45/48/29/633454829.db2.gz VCSDTKHEKXSVFX-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000816642267 633454832 /nfs/dbraw/zinc/45/48/32/633454832.db2.gz VCSDTKHEKXSVFX-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP COc1ccc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000816642267 633454836 /nfs/dbraw/zinc/45/48/36/633454836.db2.gz VCSDTKHEKXSVFX-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876929655 650490488 /nfs/dbraw/zinc/49/04/88/650490488.db2.gz LJZJUTJYFZSXKS-ZDUSSCGKSA-N 2 1 260.381 2.275 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044534961 639322094 /nfs/dbraw/zinc/32/20/94/639322094.db2.gz RIDCNRAHBOMUQX-OLZOCXBDSA-N 2 1 278.396 2.393 20 10 CECDMP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000227376199 639588094 /nfs/dbraw/zinc/58/80/94/639588094.db2.gz VWYUFMJQRUEVLT-JSGCOSHPSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000227376199 639588096 /nfs/dbraw/zinc/58/80/96/639588096.db2.gz VWYUFMJQRUEVLT-JSGCOSHPSA-N 2 1 278.396 2.363 20 10 CECDMP Cc1cc(O)c(C[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000841028181 639620850 /nfs/dbraw/zinc/62/08/50/639620850.db2.gz CKUAJLWVXHZALH-UHFFFAOYSA-N 2 1 254.761 2.196 20 10 CECDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H](C)C1 ZINC000841035386 639627433 /nfs/dbraw/zinc/62/74/33/639627433.db2.gz NJKNHNHOAULTKW-CJNGLKHVSA-N 2 1 261.413 2.131 20 10 CECDMP c1cncc(C[NH2+]CCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000841041018 639630028 /nfs/dbraw/zinc/63/00/28/639630028.db2.gz AHKMVLPVBOLSKI-UHFFFAOYSA-N 2 1 297.402 2.286 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000841051626 639633456 /nfs/dbraw/zinc/63/34/56/639633456.db2.gz SVVAYTBAEWVNOF-QGZUEGPWSA-N 2 1 259.397 2.093 20 10 CECDMP CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000841077037 639647165 /nfs/dbraw/zinc/64/71/65/639647165.db2.gz XBRVJCXYOSSZTQ-NEPJUHHUSA-N 2 1 267.392 2.497 20 10 CECDMP N[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1cccc(F)c1 ZINC000841104697 639678873 /nfs/dbraw/zinc/67/88/73/639678873.db2.gz XPHRHHGVNBNAKO-JKSUJKDBSA-N 2 1 286.350 2.458 20 10 CECDMP N[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1cccc(F)c1 ZINC000841104697 639679049 /nfs/dbraw/zinc/67/90/49/639679049.db2.gz XPHRHHGVNBNAKO-JKSUJKDBSA-N 2 1 286.350 2.458 20 10 CECDMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(O)c1 ZINC000843045866 640251236 /nfs/dbraw/zinc/25/12/36/640251236.db2.gz LHTNHQJKIBBPQM-SWLSCSKDSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(O)c1 ZINC000843045866 640251240 /nfs/dbraw/zinc/25/12/40/640251240.db2.gz LHTNHQJKIBBPQM-SWLSCSKDSA-N 2 1 278.396 2.493 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843057847 640260128 /nfs/dbraw/zinc/26/01/28/640260128.db2.gz MMGDHFYZDQVZOU-UONOGXRCSA-N 2 1 261.413 2.230 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCC([NH3+])CC2)c1O ZINC000843354225 640400436 /nfs/dbraw/zinc/40/04/36/640400436.db2.gz ZUBDTIKBQZRJLG-UHFFFAOYSA-N 2 1 294.370 2.436 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@H+](C)C2CCC([NH3+])CC2)c1O ZINC000843354225 640400443 /nfs/dbraw/zinc/40/04/43/640400443.db2.gz ZUBDTIKBQZRJLG-UHFFFAOYSA-N 2 1 294.370 2.436 20 10 CECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000844902346 640860200 /nfs/dbraw/zinc/86/02/00/640860200.db2.gz PUYMREAKAGDPSU-QGZVFWFLSA-N 2 1 291.439 2.063 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000877642251 650831525 /nfs/dbraw/zinc/83/15/25/650831525.db2.gz IIHNYNMMOFYSQS-OAHLLOKOSA-N 2 1 292.423 2.243 20 10 CECDMP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877742877 650887625 /nfs/dbraw/zinc/88/76/25/650887625.db2.gz GWAAMDLFVFAYKH-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877742877 650887631 /nfs/dbraw/zinc/88/76/31/650887631.db2.gz GWAAMDLFVFAYKH-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877742877 650887634 /nfs/dbraw/zinc/88/76/34/650887634.db2.gz GWAAMDLFVFAYKH-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000126797023 650946767 /nfs/dbraw/zinc/94/67/67/650946767.db2.gz XRVWDFNPFVPVKY-NXEZZACHSA-N 2 1 254.761 2.215 20 10 CECDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000126801796 650957497 /nfs/dbraw/zinc/95/74/97/650957497.db2.gz SNLQXCVZMLVHCW-NXEZZACHSA-N 2 1 254.761 2.215 20 10 CECDMP [NH3+][C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC001205110324 807672582 /nfs/dbraw/zinc/67/25/82/807672582.db2.gz SERHOYPVGSGJKQ-SNVBAGLBSA-N 2 1 254.761 2.359 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001172104305 815294560 /nfs/dbraw/zinc/29/45/60/815294560.db2.gz DUEGSECQJYHGPC-QDMKHBRRSA-N 2 1 290.407 2.245 20 10 CECDMP [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000708480836 809929046 /nfs/dbraw/zinc/92/90/46/809929046.db2.gz MMVBBCIELRXWNJ-QWHCGFSZSA-N 2 1 282.334 2.387 20 10 CECDMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)cc1O ZINC001206319088 816691914 /nfs/dbraw/zinc/69/19/14/816691914.db2.gz XLLDKSJKIDINSY-MRXNPFEDSA-N 2 1 294.395 2.057 20 10 CECDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3O)CC[C@@H]21 ZINC000156093017 366827408 /nfs/dbraw/zinc/82/74/08/366827408.db2.gz QLPCLSCAAFVWKM-ZFWWWQNUSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000156093017 366827412 /nfs/dbraw/zinc/82/74/12/366827412.db2.gz QLPCLSCAAFVWKM-ZFWWWQNUSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000156093017 366827417 /nfs/dbraw/zinc/82/74/17/366827417.db2.gz QLPCLSCAAFVWKM-ZFWWWQNUSA-N 2 1 260.381 2.308 20 10 CECDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273607976 373768592 /nfs/dbraw/zinc/76/85/92/373768592.db2.gz UWVPRAYAADYADH-JTQLQIEISA-N 2 1 263.316 2.387 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000091666274 260266367 /nfs/dbraw/zinc/26/63/67/260266367.db2.gz AQEPXKZNEPWJBO-RRFJBIMHSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c1 ZINC000091666274 260266368 /nfs/dbraw/zinc/26/63/68/260266368.db2.gz AQEPXKZNEPWJBO-RRFJBIMHSA-N 2 1 290.407 2.214 20 10 CECDMP Oc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300416029 261199623 /nfs/dbraw/zinc/19/96/23/261199623.db2.gz DNUTZQRRQBOVKY-KGLIPLIRSA-N 2 1 264.344 2.248 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295928558 276212813 /nfs/dbraw/zinc/21/28/13/276212813.db2.gz KBDRDXVWLSPIBH-JSGCOSHPSA-N 2 1 260.381 2.311 20 10 CECDMP COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000319387614 628386615 /nfs/dbraw/zinc/38/66/15/628386615.db2.gz DBRCGQZYBQLONY-DLBZAZTESA-N 2 1 298.386 2.328 20 10 CECDMP COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000319387614 628386617 /nfs/dbraw/zinc/38/66/17/628386617.db2.gz DBRCGQZYBQLONY-DLBZAZTESA-N 2 1 298.386 2.328 20 10 CECDMP C[C@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CCC[NH2+]C1 ZINC000841032716 631820254 /nfs/dbraw/zinc/82/02/54/631820254.db2.gz FNZLQYLFLNTKFS-WDEREUQCSA-N 2 1 252.333 2.009 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000816649408 633457287 /nfs/dbraw/zinc/45/72/87/633457287.db2.gz YRSYQVJULKDECC-HUUCEWRRSA-N 2 1 273.424 2.279 20 10 CECDMP [NH3+]C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000817981687 633824290 /nfs/dbraw/zinc/82/42/90/633824290.db2.gz MPTMIPQYBZEZLJ-KBPBESRZSA-N 2 1 260.381 2.487 20 10 CECDMP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cc1O ZINC000817984806 633827870 /nfs/dbraw/zinc/82/78/70/633827870.db2.gz AIJPLLNWXSAIOI-LLVKDONJSA-N 2 1 264.344 2.492 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000164294479 639363499 /nfs/dbraw/zinc/36/34/99/639363499.db2.gz LVHIEQMWENUCSV-UHFFFAOYSA-N 2 1 292.423 2.483 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CC[N@@H+]1C ZINC000226612769 639556166 /nfs/dbraw/zinc/55/61/66/639556166.db2.gz WRGSLHMGTXPBLZ-MFKMUULPSA-N 2 1 252.333 2.104 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CC[N@H+]1C ZINC000226612769 639556181 /nfs/dbraw/zinc/55/61/81/639556181.db2.gz WRGSLHMGTXPBLZ-MFKMUULPSA-N 2 1 252.333 2.104 20 10 CECDMP CCN(CC)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000841028092 639621080 /nfs/dbraw/zinc/62/10/80/639621080.db2.gz LNPFCCIIWAVSSC-INIZCTEOSA-N 2 1 261.413 2.360 20 10 CECDMP CC(C)[C@@H]([NH3+])C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841031467 639623869 /nfs/dbraw/zinc/62/38/69/639623869.db2.gz SIGFLESETLRCBR-KJPDOMRESA-N 2 1 261.413 2.339 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000841087723 639651497 /nfs/dbraw/zinc/65/14/97/639651497.db2.gz RQILOSFIHIFHTH-CQSZACIVSA-N 2 1 266.385 2.254 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841099573 639661184 /nfs/dbraw/zinc/66/11/84/639661184.db2.gz MEQGGSQAESGADI-XJKSGUPXSA-N 2 1 275.440 2.478 20 10 CECDMP C[N@@H+](Cc1cc(Br)ccc1O)C1CC[NH2+]CC1 ZINC000843045078 640249453 /nfs/dbraw/zinc/24/94/53/640249453.db2.gz HRPHNOKJFQBGGO-UHFFFAOYSA-N 2 1 299.212 2.339 20 10 CECDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000843048435 640252512 /nfs/dbraw/zinc/25/25/12/640252512.db2.gz URBNRZCJVGPLCG-SNVBAGLBSA-N 2 1 299.212 2.244 20 10 CECDMP Cc1cc(Br)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000843048435 640252517 /nfs/dbraw/zinc/25/25/17/640252517.db2.gz URBNRZCJVGPLCG-SNVBAGLBSA-N 2 1 299.212 2.244 20 10 CECDMP C[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843052794 640256779 /nfs/dbraw/zinc/25/67/79/640256779.db2.gz WJIHVJJPTNKREU-DSLFPGPSSA-N 2 1 273.424 2.435 20 10 CECDMP Oc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125662 640292094 /nfs/dbraw/zinc/29/20/94/640292094.db2.gz DKCKMAGILXTXJS-ZIAGYGMSSA-N 2 1 260.381 2.214 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(O)c1 ZINC000844903319 640861307 /nfs/dbraw/zinc/86/13/07/640861307.db2.gz XHIBGGUKXWSESG-YOEHRIQHSA-N 2 1 290.407 2.352 20 10 CECDMP CCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@H+](C)C(C)C ZINC000851792041 643164678 /nfs/dbraw/zinc/16/46/78/643164678.db2.gz JXFHFYFUNHOUIT-MRXNPFEDSA-N 2 1 294.439 2.305 20 10 CECDMP CCC[NH+](Cc1ccccc1O)C[C@H](O)C[N@@H+](C)C(C)C ZINC000851792041 643164682 /nfs/dbraw/zinc/16/46/82/643164682.db2.gz JXFHFYFUNHOUIT-MRXNPFEDSA-N 2 1 294.439 2.305 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1N(C)C ZINC000923332988 643665483 /nfs/dbraw/zinc/66/54/83/643665483.db2.gz OBYDGNQNGOAEFZ-HRCADAONSA-N 2 1 273.424 2.230 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863651159 646776303 /nfs/dbraw/zinc/77/63/03/646776303.db2.gz HSPNMHZXVRHDGS-IYBDPMFKSA-N 2 1 260.381 2.132 20 10 CECDMP C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793220187 648725628 /nfs/dbraw/zinc/72/56/28/648725628.db2.gz LILBEVXPLPFFDN-GASCZTMLSA-N 2 1 273.424 2.421 20 10 CECDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748887 648793364 /nfs/dbraw/zinc/79/33/64/648793364.db2.gz VGJAOYRQLLBXCI-SFHVURJKSA-N 2 1 297.402 2.468 20 10 CECDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748887 648793366 /nfs/dbraw/zinc/79/33/66/648793366.db2.gz VGJAOYRQLLBXCI-SFHVURJKSA-N 2 1 297.402 2.468 20 10 CECDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(O)ccc4ccncc43)C2)C1 ZINC000793748887 648793367 /nfs/dbraw/zinc/79/33/67/648793367.db2.gz VGJAOYRQLLBXCI-SFHVURJKSA-N 2 1 297.402 2.468 20 10 CECDMP C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1[NH3+] ZINC000128350537 651422774 /nfs/dbraw/zinc/42/27/74/651422774.db2.gz CGBVNTLKENAFBZ-SKDRFNHKSA-N 2 1 254.761 2.215 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@@H]1[NH3+] ZINC000128350537 651422776 /nfs/dbraw/zinc/42/27/76/651422776.db2.gz CGBVNTLKENAFBZ-SKDRFNHKSA-N 2 1 254.761 2.215 20 10 CECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc[nH]1 ZINC000883290202 652424148 /nfs/dbraw/zinc/42/41/48/652424148.db2.gz NWZCPBSUWYIATI-CQSZACIVSA-N 2 1 299.422 2.012 20 10 CECDMP C[NH+](C)CC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142520423 806614422 /nfs/dbraw/zinc/61/44/22/806614422.db2.gz JBKBVQOKRBQEGN-UHFFFAOYSA-N 2 1 284.350 2.444 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205124203 807718842 /nfs/dbraw/zinc/71/88/42/807718842.db2.gz LJFGVBCGOZZSOO-ZDUSSCGKSA-N 2 1 264.369 2.104 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C[NH3+] ZINC001120268447 815208950 /nfs/dbraw/zinc/20/89/50/815208950.db2.gz FKIUSZHFDAMAMD-GDBMZVCRSA-N 2 1 273.424 2.313 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001172106210 815295991 /nfs/dbraw/zinc/29/59/91/815295991.db2.gz NMOLCNDSCPXCPA-ZSOGYDGISA-N 2 1 276.380 2.203 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)c1 ZINC000702397143 809547504 /nfs/dbraw/zinc/54/75/04/809547504.db2.gz OMTHWCYRJYGQNC-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000702397143 809547508 /nfs/dbraw/zinc/54/75/08/809547508.db2.gz OMTHWCYRJYGQNC-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000702397143 809547514 /nfs/dbraw/zinc/54/75/14/809547514.db2.gz OMTHWCYRJYGQNC-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000702397143 809547522 /nfs/dbraw/zinc/54/75/22/809547522.db2.gz OMTHWCYRJYGQNC-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000702397143 809547529 /nfs/dbraw/zinc/54/75/29/809547529.db2.gz OMTHWCYRJYGQNC-ZBFHGGJFSA-N 2 1 260.381 2.084 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206157430 815313205 /nfs/dbraw/zinc/31/32/05/815313205.db2.gz YPFCEPUCAVHXBT-HUUCEWRRSA-N 2 1 265.376 2.014 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206157430 815313211 /nfs/dbraw/zinc/31/32/11/815313211.db2.gz YPFCEPUCAVHXBT-HUUCEWRRSA-N 2 1 265.376 2.014 20 10 CECDMP C[NH+](C)CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000708433161 809931539 /nfs/dbraw/zinc/93/15/39/809931539.db2.gz IFXCBRZRPPBGIM-UHFFFAOYSA-N 2 1 284.350 2.444 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709827335 809971587 /nfs/dbraw/zinc/97/15/87/809971587.db2.gz JUVUGYGSDQHRQL-MRXNPFEDSA-N 2 1 260.381 2.276 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1[NH3+] ZINC001118241673 810131731 /nfs/dbraw/zinc/13/17/31/810131731.db2.gz KBEZQXQIVTVVFD-RHSMWYFYSA-N 2 1 273.424 2.456 20 10 CECDMP COc1ccc(O)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397429068 813618195 /nfs/dbraw/zinc/61/81/95/813618195.db2.gz ZGPBRDAQVYQUNI-DYEKYZERSA-N 2 1 278.396 2.206 20 10 CECDMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(O)c1 ZINC001140952341 816424549 /nfs/dbraw/zinc/42/45/49/816424549.db2.gz OBAZEOBIDINHTK-HIFRSBDPSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(O)c1 ZINC001140952341 816424553 /nfs/dbraw/zinc/42/45/53/816424553.db2.gz OBAZEOBIDINHTK-HIFRSBDPSA-N 2 1 260.381 2.084 20 10 CECDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(O)c1 ZINC001140952341 816424561 /nfs/dbraw/zinc/42/45/61/816424561.db2.gz OBAZEOBIDINHTK-HIFRSBDPSA-N 2 1 260.381 2.084 20 10 CECDMP COc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1O ZINC000179836083 368354065 /nfs/dbraw/zinc/35/40/65/368354065.db2.gz BBMFAZCNXCDWSX-UHFFFAOYSA-N 2 1 278.396 2.363 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158823905 395054484 /nfs/dbraw/zinc/05/44/84/395054484.db2.gz IFMFNZZBJDLUIJ-CHWSQXEVSA-N 2 1 264.344 2.248 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158823905 395054487 /nfs/dbraw/zinc/05/44/87/395054487.db2.gz IFMFNZZBJDLUIJ-CHWSQXEVSA-N 2 1 264.344 2.248 20 10 CECDMP CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000020524019 171236690 /nfs/dbraw/zinc/23/66/90/171236690.db2.gz KHSZYFDMMOCEMC-ZXFUBFMLSA-N 2 1 273.424 2.467 20 10 CECDMP Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000292739411 524407773 /nfs/dbraw/zinc/40/77/73/524407773.db2.gz HDKIHFZTGGKGNZ-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000292739411 524407784 /nfs/dbraw/zinc/40/77/84/524407784.db2.gz HDKIHFZTGGKGNZ-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000292739411 524407791 /nfs/dbraw/zinc/40/77/91/524407791.db2.gz HDKIHFZTGGKGNZ-INIZCTEOSA-N 2 1 260.381 2.228 20 10 CECDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1O ZINC000127433342 527410596 /nfs/dbraw/zinc/41/05/96/527410596.db2.gz RHULNFSQXCXSMK-UHFFFAOYSA-N 2 1 259.353 2.419 20 10 CECDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1O ZINC000127433342 527410603 /nfs/dbraw/zinc/41/06/03/527410603.db2.gz RHULNFSQXCXSMK-UHFFFAOYSA-N 2 1 259.353 2.419 20 10 CECDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000313395041 628594249 /nfs/dbraw/zinc/59/42/49/628594249.db2.gz SOJYKKGPVQKIER-IUODEOHRSA-N 2 1 272.392 2.453 20 10 CECDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258877167 628779382 /nfs/dbraw/zinc/77/93/82/628779382.db2.gz GKKCNNZYBMGGIB-HUUCEWRRSA-N 2 1 260.381 2.371 20 10 CECDMP CC[NH+]1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894148646 629171595 /nfs/dbraw/zinc/17/15/95/629171595.db2.gz CJTYTQMIDMVXAV-UHFFFAOYSA-N 2 1 278.396 2.283 20 10 CECDMP CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000809729977 632133533 /nfs/dbraw/zinc/13/35/33/632133533.db2.gz VNMFBSNKWZHHAJ-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000809729977 632133534 /nfs/dbraw/zinc/13/35/34/632133534.db2.gz VNMFBSNKWZHHAJ-UHFFFAOYSA-N 2 1 266.385 2.174 20 10 CECDMP C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC000841061607 632363221 /nfs/dbraw/zinc/36/32/21/632363221.db2.gz LNLHBYBOGBKJGO-VHSXEESVSA-N 2 1 254.761 2.276 20 10 CECDMP Oc1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc2ccccc21 ZINC000816522371 633407388 /nfs/dbraw/zinc/40/73/88/633407388.db2.gz WCDHJCHOOZGXMI-GASCZTMLSA-N 2 1 268.360 2.197 20 10 CECDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887738 633752229 /nfs/dbraw/zinc/75/22/29/633752229.db2.gz DIRASLLKDDEQEU-HZPDHXFCSA-N 2 1 291.464 2.209 20 10 CECDMP COC[C@@]1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCC[NH2+]1 ZINC000817974469 633818569 /nfs/dbraw/zinc/81/85/69/633818569.db2.gz MMWJLMHATRSFCC-PBHICJAKSA-N 2 1 292.423 2.428 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1C[NH3+] ZINC000904410138 635616721 /nfs/dbraw/zinc/61/67/21/635616721.db2.gz BHTQMDDURJWWJP-OCCSQVGLSA-N 2 1 279.403 2.308 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1C[NH3+] ZINC000904411249 635619343 /nfs/dbraw/zinc/61/93/43/635619343.db2.gz KHKHNXBBPRGXFQ-HIFRSBDPSA-N 2 1 261.413 2.169 20 10 CECDMP CN(C)c1ccc(/C=C\C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000835033126 638032318 /nfs/dbraw/zinc/03/23/18/638032318.db2.gz CPYHGZYQBDBAED-PLNGDYQASA-N 2 1 273.424 2.450 20 10 CECDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000044533027 639322260 /nfs/dbraw/zinc/32/22/60/639322260.db2.gz FUIBIIABFLZOAP-AWEZNQCLSA-N 2 1 260.381 2.053 20 10 CECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OCC)cc1O ZINC000841028373 639621496 /nfs/dbraw/zinc/62/14/96/639621496.db2.gz CJRQXIAWJKNRRW-CYBMUJFWSA-N 2 1 266.385 2.398 20 10 CECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841029758 639622904 /nfs/dbraw/zinc/62/29/04/639622904.db2.gz RTSPUPXGBSBOLF-GFCCVEGCSA-N 2 1 282.384 2.017 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191470 639837321 /nfs/dbraw/zinc/83/73/21/639837321.db2.gz SRSSVXUOTVFAAC-BBRMVZONSA-N 2 1 261.413 2.454 20 10 CECDMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191470 639837325 /nfs/dbraw/zinc/83/73/25/639837325.db2.gz SRSSVXUOTVFAAC-BBRMVZONSA-N 2 1 261.413 2.454 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(O)c1 ZINC000843051493 640254423 /nfs/dbraw/zinc/25/44/23/640254423.db2.gz JKEOGGIBAKQEGZ-QWHCGFSZSA-N 2 1 278.396 2.350 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(O)c1 ZINC000843051494 640254583 /nfs/dbraw/zinc/25/45/83/640254583.db2.gz JKEOGGIBAKQEGZ-STQMWFEESA-N 2 1 278.396 2.350 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000843059205 640261300 /nfs/dbraw/zinc/26/13/00/640261300.db2.gz GEADEVANBDSKQG-CFVMTHIKSA-N 2 1 260.381 2.260 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(O)c1 ZINC000843120180 640289167 /nfs/dbraw/zinc/28/91/67/640289167.db2.gz MYVGYPVZZRULCT-UHFFFAOYSA-N 2 1 290.407 2.366 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000843120253 640289587 /nfs/dbraw/zinc/28/95/87/640289587.db2.gz BGFUFSREWFNVHS-MRXNPFEDSA-N 2 1 277.387 2.077 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000843120253 640289591 /nfs/dbraw/zinc/28/95/91/640289591.db2.gz BGFUFSREWFNVHS-MRXNPFEDSA-N 2 1 277.387 2.077 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120458 640289805 /nfs/dbraw/zinc/28/98/05/640289805.db2.gz LHMJBZWZAXFEPZ-KRWDZBQOSA-N 2 1 273.424 2.246 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125598 640291864 /nfs/dbraw/zinc/29/18/64/640291864.db2.gz YMDTWIUXFBFCSA-OLZOCXBDSA-N 2 1 278.371 2.353 20 10 CECDMP C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@@H]1CC[NH3+] ZINC000844901209 640860250 /nfs/dbraw/zinc/86/02/50/640860250.db2.gz FZCVMLSBEXUJPN-BXUZGUMPSA-N 2 1 266.360 2.481 20 10 CECDMP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@@H]1CC[NH3+] ZINC000844901209 640860251 /nfs/dbraw/zinc/86/02/51/640860251.db2.gz FZCVMLSBEXUJPN-BXUZGUMPSA-N 2 1 266.360 2.481 20 10 CECDMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccccc1O ZINC000846826157 641441105 /nfs/dbraw/zinc/44/11/05/641441105.db2.gz ZXDOQTKIHBVVNI-UHFFFAOYSA-N 2 1 259.353 2.190 20 10 CECDMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccccc1O ZINC000846826157 641441108 /nfs/dbraw/zinc/44/11/08/641441108.db2.gz ZXDOQTKIHBVVNI-UHFFFAOYSA-N 2 1 259.353 2.190 20 10 CECDMP COc1ccc(O)c([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000846844928 641450837 /nfs/dbraw/zinc/45/08/37/641450837.db2.gz RNYLJNHFIGKLOS-GFCCVEGCSA-N 2 1 289.379 2.418 20 10 CECDMP C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000252173565 641575850 /nfs/dbraw/zinc/57/58/50/641575850.db2.gz OMHOTDWAVXAHRA-CJNGLKHVSA-N 2 1 261.413 2.312 20 10 CECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000252173565 641575857 /nfs/dbraw/zinc/57/58/57/641575857.db2.gz OMHOTDWAVXAHRA-CJNGLKHVSA-N 2 1 261.413 2.312 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000252413532 641577675 /nfs/dbraw/zinc/57/76/75/641577675.db2.gz DQYHKVNTDGEHCC-DZGCQCFKSA-N 2 1 290.407 2.365 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169391 641640002 /nfs/dbraw/zinc/64/00/02/641640002.db2.gz WOVIGAMHFHAMII-CQSZACIVSA-N 2 1 261.413 2.313 20 10 CECDMP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1N(C)C ZINC000923398930 643696558 /nfs/dbraw/zinc/69/65/58/643696558.db2.gz OSHCPQQPELHNPU-RDJZCZTQSA-N 2 1 273.424 2.374 20 10 CECDMP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1N(C)C ZINC000923398930 643696560 /nfs/dbraw/zinc/69/65/60/643696560.db2.gz OSHCPQQPELHNPU-RDJZCZTQSA-N 2 1 273.424 2.374 20 10 CECDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000126797459 650946381 /nfs/dbraw/zinc/94/63/81/650946381.db2.gz XRVWDFNPFVPVKY-ZJUUUORDSA-N 2 1 254.761 2.215 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857230145 644860605 /nfs/dbraw/zinc/86/06/05/644860605.db2.gz ODJANBKOLXDTOA-ZBFHGGJFSA-N 2 1 259.397 2.066 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857230145 644860608 /nfs/dbraw/zinc/86/06/08/644860608.db2.gz ODJANBKOLXDTOA-ZBFHGGJFSA-N 2 1 259.397 2.066 20 10 CECDMP C[C@@]1([NH3+])CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001204801655 806125388 /nfs/dbraw/zinc/12/53/88/806125388.db2.gz RWQOJXHYAXTQCG-MRXNPFEDSA-N 2 1 256.349 2.469 20 10 CECDMP C[C@@]1([NH3+])CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001204801655 806125391 /nfs/dbraw/zinc/12/53/91/806125391.db2.gz RWQOJXHYAXTQCG-MRXNPFEDSA-N 2 1 256.349 2.469 20 10 CECDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000383389518 803470814 /nfs/dbraw/zinc/47/08/14/803470814.db2.gz JQCUNBMBEBSYKU-CYBMUJFWSA-N 2 1 254.761 2.216 20 10 CECDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000311233216 803669481 /nfs/dbraw/zinc/66/94/81/803669481.db2.gz RVTLJUAHQLTIQJ-NSHDSACASA-N 2 1 252.333 2.092 20 10 CECDMP COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000700817568 809356581 /nfs/dbraw/zinc/35/65/81/809356581.db2.gz VPOIMQGUVFKYMS-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP C[NH+](C)CC1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837699 815692782 /nfs/dbraw/zinc/69/27/82/815692782.db2.gz RDKMJHUAYQPXRA-UHFFFAOYSA-N 2 1 266.360 2.305 20 10 CECDMP C[NH+]1CCC2(CC[N@H+](Cc3cccc(F)c3O)C2)CC1 ZINC001138128337 815733331 /nfs/dbraw/zinc/73/33/31/815733331.db2.gz DGMOQLRKXSLKNJ-UHFFFAOYSA-N 2 1 278.371 2.449 20 10 CECDMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(F)c3O)C2)CC1 ZINC001138128337 815733334 /nfs/dbraw/zinc/73/33/34/815733334.db2.gz DGMOQLRKXSLKNJ-UHFFFAOYSA-N 2 1 278.371 2.449 20 10 CECDMP CCOc1cccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206337963 816774452 /nfs/dbraw/zinc/77/44/52/816774452.db2.gz XHZBENQCAXNUGW-MRXNPFEDSA-N 2 1 296.386 2.444 20 10 CECDMP CCOc1cccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206337963 816774456 /nfs/dbraw/zinc/77/44/56/816774456.db2.gz XHZBENQCAXNUGW-MRXNPFEDSA-N 2 1 296.386 2.444 20 10 CECDMP Oc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371463715 373891963 /nfs/dbraw/zinc/89/19/63/373891963.db2.gz KOTGZCZHAUGPED-BZUAXINKSA-N 2 1 272.392 2.308 20 10 CECDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371463715 373891968 /nfs/dbraw/zinc/89/19/68/373891968.db2.gz KOTGZCZHAUGPED-BZUAXINKSA-N 2 1 272.392 2.308 20 10 CECDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371463715 373891972 /nfs/dbraw/zinc/89/19/72/373891972.db2.gz KOTGZCZHAUGPED-BZUAXINKSA-N 2 1 272.392 2.308 20 10 CECDMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296224419 378459562 /nfs/dbraw/zinc/45/95/62/378459562.db2.gz ZYDBFXKJJGOWGL-OAHLLOKOSA-N 2 1 290.407 2.080 20 10 CECDMP CN(C)c1ccc(C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000182671322 395247156 /nfs/dbraw/zinc/24/71/56/395247156.db2.gz UIMCMPZUYWOIRW-UHFFFAOYSA-N 2 1 272.396 2.471 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185009006 262038338 /nfs/dbraw/zinc/03/83/38/262038338.db2.gz WWUSOPNHQVWSOJ-LBPRGKRZSA-N 2 1 284.375 2.150 20 10 CECDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3O)CC[C@@H]21 ZINC000156093142 263048520 /nfs/dbraw/zinc/04/85/20/263048520.db2.gz QLPCLSCAAFVWKM-HIFRSBDPSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000156093142 263048521 /nfs/dbraw/zinc/04/85/21/263048521.db2.gz QLPCLSCAAFVWKM-HIFRSBDPSA-N 2 1 260.381 2.308 20 10 CECDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000156093142 263048522 /nfs/dbraw/zinc/04/85/22/263048522.db2.gz QLPCLSCAAFVWKM-HIFRSBDPSA-N 2 1 260.381 2.308 20 10 CECDMP Cc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253843 327191189 /nfs/dbraw/zinc/19/11/89/327191189.db2.gz ZNENIVZODXOCIT-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092253843 327191191 /nfs/dbraw/zinc/19/11/91/327191191.db2.gz ZNENIVZODXOCIT-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP Cc1ccc(O)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000092253843 327191192 /nfs/dbraw/zinc/19/11/92/327191192.db2.gz ZNENIVZODXOCIT-CQSZACIVSA-N 2 1 262.397 2.474 20 10 CECDMP CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC000278357600 521697286 /nfs/dbraw/zinc/69/72/86/521697286.db2.gz JIBFBXHVGBINPP-QGZVFWFLSA-N 2 1 291.439 2.082 20 10 CECDMP Cc1cccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)c1O ZINC000311459969 627666738 /nfs/dbraw/zinc/66/67/38/627666738.db2.gz VMPUTNJWVVCCIU-OAHLLOKOSA-N 2 1 260.381 2.227 20 10 CECDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981378 632003712 /nfs/dbraw/zinc/00/37/12/632003712.db2.gz KVODFIHLLCDFMY-UHFFFAOYSA-N 2 1 260.381 2.499 20 10 CECDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000808715815 632005029 /nfs/dbraw/zinc/00/50/29/632005029.db2.gz XNQXPRRAQAQMLA-ABAIWWIYSA-N 2 1 298.814 2.071 20 10 CECDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000808715815 632005033 /nfs/dbraw/zinc/00/50/33/632005033.db2.gz XNQXPRRAQAQMLA-ABAIWWIYSA-N 2 1 298.814 2.071 20 10 CECDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000322833968 632244195 /nfs/dbraw/zinc/24/41/95/632244195.db2.gz HLZUZGJDLZPEBY-AGUYFDCRSA-N 2 1 276.380 2.116 20 10 CECDMP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2O)C[C@@H]1C[NH3+] ZINC000817866286 633748170 /nfs/dbraw/zinc/74/81/70/633748170.db2.gz WWHDCIZOHXOKFR-MDZLAQPJSA-N 2 1 266.360 2.337 20 10 CECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C[NH3+] ZINC000817866286 633748172 /nfs/dbraw/zinc/74/81/72/633748172.db2.gz WWHDCIZOHXOKFR-MDZLAQPJSA-N 2 1 266.360 2.337 20 10 CECDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817887736 633751997 /nfs/dbraw/zinc/75/19/97/633751997.db2.gz DIRASLLKDDEQEU-CVEARBPZSA-N 2 1 291.464 2.209 20 10 CECDMP Nc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000817956212 633799376 /nfs/dbraw/zinc/79/93/76/633799376.db2.gz TZCPJOUWFIERLR-CVEARBPZSA-N 2 1 259.397 2.028 20 10 CECDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1O ZINC000817970507 633813177 /nfs/dbraw/zinc/81/31/77/633813177.db2.gz XTVNDIYGVURCKF-DLOVCJGASA-N 2 1 252.333 2.452 20 10 CECDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1O ZINC000817970508 633814448 /nfs/dbraw/zinc/81/44/48/633814448.db2.gz XTVNDIYGVURCKF-MVWJERBFSA-N 2 1 252.333 2.452 20 10 CECDMP COC[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCC[NH2+]1 ZINC000817974198 633816685 /nfs/dbraw/zinc/81/66/85/633816685.db2.gz JIBZNEXUEWTQQY-CZUORRHYSA-N 2 1 278.396 2.120 20 10 CECDMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000876929634 650490515 /nfs/dbraw/zinc/49/05/15/650490515.db2.gz LFZFQCDPMUOCNS-CYBMUJFWSA-N 2 1 260.381 2.275 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000841086012 639652463 /nfs/dbraw/zinc/65/24/63/639652463.db2.gz FORZJTXALUHKMS-MRXNPFEDSA-N 2 1 261.413 2.360 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000841090547 639653115 /nfs/dbraw/zinc/65/31/15/639653115.db2.gz KJMPGLUYQQWFQZ-MLGOLLRUSA-N 2 1 279.403 2.308 20 10 CECDMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1F ZINC000843044329 640249682 /nfs/dbraw/zinc/24/96/82/640249682.db2.gz CYMHFKBZOOTXPH-UHFFFAOYSA-N 2 1 265.376 2.076 20 10 CECDMP CCC[N@@H+](Cc1cc(OC)ccc1O)C1CC[NH2+]CC1 ZINC000843044947 640249696 /nfs/dbraw/zinc/24/96/96/640249696.db2.gz NFEWHAFBAKPBJE-UHFFFAOYSA-N 2 1 278.396 2.365 20 10 CECDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048308 640251967 /nfs/dbraw/zinc/25/19/67/640251967.db2.gz IPRHULVVUQSORL-ABCZVMIZSA-N 2 1 259.397 2.046 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000843048382 640252045 /nfs/dbraw/zinc/25/20/45/640252045.db2.gz OPGNJNJBRSYKST-SNVBAGLBSA-N 2 1 254.761 2.135 20 10 CECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000843048560 640253957 /nfs/dbraw/zinc/25/39/57/640253957.db2.gz HKJWSRVLSMMOBE-CQSZACIVSA-N 2 1 279.403 2.453 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843057377 640259735 /nfs/dbraw/zinc/25/97/35/640259735.db2.gz JSRZCHFPANMWJY-DZGCQCFKSA-N 2 1 261.413 2.230 20 10 CECDMP Cc1cc(Br)c(O)c(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000843124556 640290829 /nfs/dbraw/zinc/29/08/29/640290829.db2.gz BZIOFHGFUKKAEJ-UHFFFAOYSA-N 2 1 299.212 2.385 20 10 CECDMP Cc1cc(Br)c(O)c(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000843124556 640290837 /nfs/dbraw/zinc/29/08/37/640290837.db2.gz BZIOFHGFUKKAEJ-UHFFFAOYSA-N 2 1 299.212 2.385 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923291449 643638813 /nfs/dbraw/zinc/63/88/13/643638813.db2.gz SQMIGAFBIGEWPD-DZGCQCFKSA-N 2 1 261.413 2.230 20 10 CECDMP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(O)cc1C ZINC000768444721 646124045 /nfs/dbraw/zinc/12/40/45/646124045.db2.gz BQJSRIWWOBJDFB-CYBMUJFWSA-N 2 1 278.396 2.093 20 10 CECDMP Cc1c(O)ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1O ZINC001140747357 803513552 /nfs/dbraw/zinc/51/35/52/803513552.db2.gz ABBYQNGYBSVMRH-UHFFFAOYSA-N 2 1 290.407 2.324 20 10 CECDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1C ZINC001204087455 815356130 /nfs/dbraw/zinc/35/61/30/815356130.db2.gz BPGIYGHBKNOTFK-BZUAXINKSA-N 2 1 274.408 2.433 20 10 CECDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000389076828 813247168 /nfs/dbraw/zinc/24/71/68/813247168.db2.gz ZGUXPZVQCRZTIO-ZDUSSCGKSA-N 2 1 257.337 2.174 20 10 CECDMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1N(C)C ZINC001139669775 815622943 /nfs/dbraw/zinc/62/29/43/815622943.db2.gz MTFFBHRYDBUBCU-UHFFFAOYSA-N 2 1 263.429 2.445 20 10 CECDMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1N(C)C ZINC001139669775 815622947 /nfs/dbraw/zinc/62/29/47/815622947.db2.gz MTFFBHRYDBUBCU-UHFFFAOYSA-N 2 1 263.429 2.445 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000180423770 368381241 /nfs/dbraw/zinc/38/12/41/368381241.db2.gz VWSSZXSXLHNZPL-OCCSQVGLSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000180423770 368381246 /nfs/dbraw/zinc/38/12/46/368381246.db2.gz VWSSZXSXLHNZPL-OCCSQVGLSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000180423770 368381250 /nfs/dbraw/zinc/38/12/50/368381250.db2.gz VWSSZXSXLHNZPL-OCCSQVGLSA-N 2 1 278.396 2.315 20 10 CECDMP COc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000180423770 368381251 /nfs/dbraw/zinc/38/12/51/368381251.db2.gz VWSSZXSXLHNZPL-OCCSQVGLSA-N 2 1 278.396 2.315 20 10 CECDMP Oc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371463718 373890834 /nfs/dbraw/zinc/89/08/34/373890834.db2.gz KOTGZCZHAUGPED-PMPSAXMXSA-N 2 1 272.392 2.308 20 10 CECDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371463718 373890843 /nfs/dbraw/zinc/89/08/43/373890843.db2.gz KOTGZCZHAUGPED-PMPSAXMXSA-N 2 1 272.392 2.308 20 10 CECDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371463718 373890848 /nfs/dbraw/zinc/89/08/48/373890848.db2.gz KOTGZCZHAUGPED-PMPSAXMXSA-N 2 1 272.392 2.308 20 10 CECDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1O ZINC000183415153 261974178 /nfs/dbraw/zinc/97/41/78/261974178.db2.gz ZHNXJGFVBUQDBM-CYBMUJFWSA-N 2 1 266.385 2.011 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252767416 334391326 /nfs/dbraw/zinc/39/13/26/334391326.db2.gz IFMFNZZBJDLUIJ-STQMWFEESA-N 2 1 264.344 2.248 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252767416 334391327 /nfs/dbraw/zinc/39/13/27/334391327.db2.gz IFMFNZZBJDLUIJ-STQMWFEESA-N 2 1 264.344 2.248 20 10 CECDMP C[N@@H+](Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289857876 523385875 /nfs/dbraw/zinc/38/58/75/523385875.db2.gz VHXQWNPDKMTENG-YIONKMFJSA-N 2 1 260.381 2.449 20 10 CECDMP C[NH+](Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289857876 523385881 /nfs/dbraw/zinc/38/58/81/523385881.db2.gz VHXQWNPDKMTENG-YIONKMFJSA-N 2 1 260.381 2.449 20 10 CECDMP C[NH+](Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289857876 523385885 /nfs/dbraw/zinc/38/58/85/523385885.db2.gz VHXQWNPDKMTENG-YIONKMFJSA-N 2 1 260.381 2.449 20 10 CECDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(F)ccc2O)C1 ZINC000290649391 523973241 /nfs/dbraw/zinc/97/32/41/523973241.db2.gz YZNPDKXCKXZZIA-SWLSCSKDSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(F)ccc2O)C1 ZINC000290649391 523973244 /nfs/dbraw/zinc/97/32/44/523973244.db2.gz YZNPDKXCKXZZIA-SWLSCSKDSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(F)ccc2O)C1 ZINC000290649391 523973245 /nfs/dbraw/zinc/97/32/45/523973245.db2.gz YZNPDKXCKXZZIA-SWLSCSKDSA-N 2 1 278.371 2.447 20 10 CECDMP COc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000725845539 625742380 /nfs/dbraw/zinc/74/23/80/625742380.db2.gz CRPLCPVOTZMWTN-OLZOCXBDSA-N 2 1 276.380 2.117 20 10 CECDMP COc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000725845539 625742385 /nfs/dbraw/zinc/74/23/85/625742385.db2.gz CRPLCPVOTZMWTN-OLZOCXBDSA-N 2 1 276.380 2.117 20 10 CECDMP Cc1ccc(O)c(C[N@H+](C)[C@H]2CN3CCC2CC3)c1 ZINC000311457458 627666552 /nfs/dbraw/zinc/66/65/52/627666552.db2.gz UVJMOZKHNLFYBZ-HNNXBMFYSA-N 2 1 260.381 2.227 20 10 CECDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC[N@@H+]1C ZINC000312064493 628801823 /nfs/dbraw/zinc/80/18/23/628801823.db2.gz DXMDSHBESRGEOI-MRVWCRGKSA-N 2 1 260.381 2.452 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CC[N@@H+]1C ZINC000312064494 628801882 /nfs/dbraw/zinc/80/18/82/628801882.db2.gz DXMDSHBESRGEOI-XBFCOCLRSA-N 2 1 260.381 2.452 20 10 CECDMP CCN(CC)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000843124581 631735871 /nfs/dbraw/zinc/73/58/71/631735871.db2.gz CKBRIGIXVKUTMI-UHFFFAOYSA-N 2 1 261.413 2.454 20 10 CECDMP COc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818431957 633921302 /nfs/dbraw/zinc/92/13/02/633921302.db2.gz XQLTZVRCDYIFCF-ZDUSSCGKSA-N 2 1 290.407 2.365 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000827507684 636340731 /nfs/dbraw/zinc/34/07/31/636340731.db2.gz YVXCVMHBMJQALA-IAGOWNOFSA-N 2 1 285.435 2.280 20 10 CECDMP C[N@H+](CCCC[NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000835063139 638044178 /nfs/dbraw/zinc/04/41/78/638044178.db2.gz HPUZWFIMEHBHHN-UHFFFAOYSA-N 2 1 266.360 2.495 20 10 CECDMP C[N@@H+](CCCC[NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000835063139 638044183 /nfs/dbraw/zinc/04/41/83/638044183.db2.gz HPUZWFIMEHBHHN-UHFFFAOYSA-N 2 1 266.360 2.495 20 10 CECDMP CCOCc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OC ZINC000841029787 639622725 /nfs/dbraw/zinc/62/27/25/639622725.db2.gz AOXYSGPTGVSLFD-UHFFFAOYSA-N 2 1 266.385 2.059 20 10 CECDMP CCC([NH3+])(CC)C[NH2+]Cc1c(O)cccc1OC ZINC000841030389 639622838 /nfs/dbraw/zinc/62/28/38/639622838.db2.gz HDPYCMIQRLRTGV-UHFFFAOYSA-N 2 1 252.358 2.008 20 10 CECDMP CCOCc1cc(C[NH2+]C[C@@H]([NH3+])CC)ccc1OC ZINC000841070139 639642488 /nfs/dbraw/zinc/64/24/88/639642488.db2.gz MBGXOFFYVCSUAA-AWEZNQCLSA-N 2 1 266.385 2.059 20 10 CECDMP CCOc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000841087722 639652046 /nfs/dbraw/zinc/65/20/46/639652046.db2.gz RQILOSFIHIFHTH-AWEZNQCLSA-N 2 1 266.385 2.254 20 10 CECDMP CCCN(CCC)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000841094397 639655485 /nfs/dbraw/zinc/65/54/85/639655485.db2.gz XORHPTSTPMOFNE-QGZVFWFLSA-N 2 1 293.455 2.064 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000229104884 639676629 /nfs/dbraw/zinc/67/66/29/639676629.db2.gz YXTZWIZYEUZUPF-UWVGGRQHSA-N 2 1 284.787 2.223 20 10 CECDMP CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052333 640256261 /nfs/dbraw/zinc/25/62/61/640256261.db2.gz OPTXIDQXOITQHN-ZFWWWQNUSA-N 2 1 279.403 2.451 20 10 CECDMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052333 640256263 /nfs/dbraw/zinc/25/62/63/640256263.db2.gz OPTXIDQXOITQHN-ZFWWWQNUSA-N 2 1 279.403 2.451 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000843059941 640262415 /nfs/dbraw/zinc/26/24/15/640262415.db2.gz VQTPVOWWXPWHGM-OFQRWUPVSA-N 2 1 291.414 2.451 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000843120252 640289356 /nfs/dbraw/zinc/28/93/56/640289356.db2.gz BGFUFSREWFNVHS-INIZCTEOSA-N 2 1 277.387 2.077 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000843120252 640289361 /nfs/dbraw/zinc/28/93/61/640289361.db2.gz BGFUFSREWFNVHS-INIZCTEOSA-N 2 1 277.387 2.077 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843124844 640290773 /nfs/dbraw/zinc/29/07/73/640290773.db2.gz JCJJIAVCWCKWFX-KGLIPLIRSA-N 2 1 290.407 2.222 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125190 640291949 /nfs/dbraw/zinc/29/19/49/640291949.db2.gz NRLQZEAPUYUNBL-UONOGXRCSA-N 2 1 290.407 2.222 20 10 CECDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)C1 ZINC000844901445 640860117 /nfs/dbraw/zinc/86/01/17/640860117.db2.gz FMAFIBLZPQYUFG-BFYDXBDKSA-N 2 1 290.407 2.111 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923282744 643638834 /nfs/dbraw/zinc/63/88/34/643638834.db2.gz PWVXKHAEBWDFKH-INIZCTEOSA-N 2 1 275.440 2.492 20 10 CECDMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000873226992 649598515 /nfs/dbraw/zinc/59/85/15/649598515.db2.gz ARJDALFQCSUXBY-VXGBXAGGSA-N 2 1 288.313 2.270 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320851 808069749 /nfs/dbraw/zinc/06/97/49/808069749.db2.gz KRGURQYGEXRNMP-OKILXGFUSA-N 2 1 260.381 2.132 20 10 CECDMP [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000708480834 809928957 /nfs/dbraw/zinc/92/89/57/809928957.db2.gz MMVBBCIELRXWNJ-CHWSQXEVSA-N 2 1 282.334 2.387 20 10 CECDMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1C[NH3+] ZINC000708898782 809937413 /nfs/dbraw/zinc/93/74/13/809937413.db2.gz APDJIEFJEXLONP-GXSJLCMTSA-N 2 1 299.212 2.181 20 10 CECDMP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1N(C)C ZINC000923361226 810089360 /nfs/dbraw/zinc/08/93/60/810089360.db2.gz FSJZLHAXEFBNQC-UHFFFAOYSA-N 2 1 261.413 2.374 20 10 CECDMP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1N(C)C ZINC000923361226 810089362 /nfs/dbraw/zinc/08/93/62/810089362.db2.gz FSJZLHAXEFBNQC-UHFFFAOYSA-N 2 1 261.413 2.374 20 10 CECDMP COCCC[NH+]1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC001172247612 815358456 /nfs/dbraw/zinc/35/84/56/815358456.db2.gz NLNMSKGLSDAVGJ-UHFFFAOYSA-N 2 1 292.423 2.291 20 10 CECDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000381742122 810864323 /nfs/dbraw/zinc/86/43/23/810864323.db2.gz PIOZBCPDFONMRL-JSGCOSHPSA-N 2 1 260.381 2.311 20 10 CECDMP CCc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206196977 815645627 /nfs/dbraw/zinc/64/56/27/815645627.db2.gz FKFISMVCZSAACV-KGLIPLIRSA-N 2 1 266.360 2.216 20 10 CECDMP COc1cc(C[NH+]2CC(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139252963 815996873 /nfs/dbraw/zinc/99/68/73/815996873.db2.gz HCAUYZJASUULPJ-UHFFFAOYSA-N 2 1 278.396 2.304 20 10 CECDMP CC(C)(C)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206736449 816049497 /nfs/dbraw/zinc/04/94/97/816049497.db2.gz FZBFTFVNUGJVMS-UHFFFAOYSA-N 2 1 262.397 2.470 20 10 CECDMP Cc1ccc(C)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1O ZINC001140179001 816204083 /nfs/dbraw/zinc/20/40/83/816204083.db2.gz BDATZNDCTHERNS-CABCVRRESA-N 2 1 274.408 2.393 20 10 CECDMP Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1O ZINC001140179001 816204086 /nfs/dbraw/zinc/20/40/86/816204086.db2.gz BDATZNDCTHERNS-CABCVRRESA-N 2 1 274.408 2.393 20 10 CECDMP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1O ZINC001140179001 816204089 /nfs/dbraw/zinc/20/40/89/816204089.db2.gz BDATZNDCTHERNS-CABCVRRESA-N 2 1 274.408 2.393 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000179633752 368344115 /nfs/dbraw/zinc/34/41/15/368344115.db2.gz YJLCOPSJOBYNCA-ZDUSSCGKSA-N 2 1 278.396 2.174 20 10 CECDMP COc1cccc(C[NH2+]CCC[N@@H+](C)C(C)C)c1O ZINC000227436223 394472580 /nfs/dbraw/zinc/47/25/80/394472580.db2.gz LHAPRZRUCISADS-UHFFFAOYSA-N 2 1 266.385 2.221 20 10 CECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2O)C1 ZINC000093770583 394669472 /nfs/dbraw/zinc/66/94/72/394669472.db2.gz YQYUJWOLBHSIRM-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093770583 394669476 /nfs/dbraw/zinc/66/94/76/394669476.db2.gz YQYUJWOLBHSIRM-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000093770583 394669478 /nfs/dbraw/zinc/66/94/78/394669478.db2.gz YQYUJWOLBHSIRM-AWEZNQCLSA-N 2 1 262.397 2.474 20 10 CECDMP COc1ccc(O)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000182462029 395242088 /nfs/dbraw/zinc/24/20/88/395242088.db2.gz FETFQIMQDZGUJY-LBPRGKRZSA-N 2 1 289.379 2.332 20 10 CECDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000840933104 628750209 /nfs/dbraw/zinc/75/02/09/628750209.db2.gz AIUWFIFCQZKUJU-OAHLLOKOSA-N 2 1 275.440 2.492 20 10 CECDMP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1c[nH+]ccc1N ZINC000817896525 633757888 /nfs/dbraw/zinc/75/78/88/633757888.db2.gz JESNOMIGMDFOMI-LBPRGKRZSA-N 2 1 270.380 2.411 20 10 CECDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897886 633759147 /nfs/dbraw/zinc/75/91/47/633759147.db2.gz CXUXBGIUCJHDMD-JKSUJKDBSA-N 2 1 259.397 2.256 20 10 CECDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817901281 633762012 /nfs/dbraw/zinc/76/20/12/633762012.db2.gz AQKZOKVDZOIHIH-GJZGRUSLSA-N 2 1 260.381 2.371 20 10 CECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000817954281 633798765 /nfs/dbraw/zinc/79/87/65/633798765.db2.gz WZHBNZARHRYDIX-LBPRGKRZSA-N 2 1 294.395 2.218 20 10 CECDMP COC[C@]1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCC[NH2+]1 ZINC000817975147 633818609 /nfs/dbraw/zinc/81/86/09/633818609.db2.gz RCBPZOXTQCYMOW-XJKSGUPXSA-N 2 1 278.396 2.120 20 10 CECDMP COC[C@]1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCC[NH2+]1 ZINC000817974471 633818940 /nfs/dbraw/zinc/81/89/40/633818940.db2.gz MMWJLMHATRSFCC-WMLDXEAASA-N 2 1 292.423 2.428 20 10 CECDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980723 633823558 /nfs/dbraw/zinc/82/35/58/633823558.db2.gz WQAGZPJWMHTIJS-JSGCOSHPSA-N 2 1 295.402 2.050 20 10 CECDMP CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000903494274 635158013 /nfs/dbraw/zinc/15/80/13/635158013.db2.gz ACRSPIUEBUNSHO-ZYHUDNBSSA-N 2 1 294.370 2.151 20 10 CECDMP C[N@@H+](CCCC[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000835061526 638044509 /nfs/dbraw/zinc/04/45/09/638044509.db2.gz HZBCGCBMUDHXCI-UHFFFAOYSA-N 2 1 292.379 2.085 20 10 CECDMP C[N@@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754328 650421429 /nfs/dbraw/zinc/42/14/29/650421429.db2.gz MQHUANGRLWWROP-HVHJFMEUSA-N 2 1 299.418 2.021 20 10 CECDMP C[N@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754328 650421430 /nfs/dbraw/zinc/42/14/30/650421430.db2.gz MQHUANGRLWWROP-HVHJFMEUSA-N 2 1 299.418 2.021 20 10 CECDMP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876940793 650497255 /nfs/dbraw/zinc/49/72/55/650497255.db2.gz XTQMKNTZOYPKSY-KBPBESRZSA-N 2 1 260.381 2.417 20 10 CECDMP CCN(CC)c1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1F ZINC000841048907 639632106 /nfs/dbraw/zinc/63/21/06/639632106.db2.gz GOWOWOUOCRHNKV-HNNXBMFYSA-N 2 1 279.403 2.499 20 10 CECDMP CN(C)c1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1F ZINC000843056613 640258535 /nfs/dbraw/zinc/25/85/35/640258535.db2.gz SMOVHYDQPZYLKP-UHFFFAOYSA-N 2 1 267.392 2.308 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(O)c1 ZINC000843059725 640262934 /nfs/dbraw/zinc/26/29/34/640262934.db2.gz RBAODYCQKLEMRJ-MAZHCROVSA-N 2 1 290.407 2.350 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000843113550 640285625 /nfs/dbraw/zinc/28/56/25/640285625.db2.gz WTILHECBWYNEDG-ZDUSSCGKSA-N 2 1 278.396 2.352 20 10 CECDMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1O ZINC000846138604 641197453 /nfs/dbraw/zinc/19/74/53/641197453.db2.gz WQVWFYWPNOIDFP-NSHDSACASA-N 2 1 264.369 2.146 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846142284 641199344 /nfs/dbraw/zinc/19/93/44/641199344.db2.gz ZVKIHDFJTONYLT-CHWSQXEVSA-N 2 1 278.396 2.393 20 10 CECDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000253202410 641620145 /nfs/dbraw/zinc/62/01/45/641620145.db2.gz YVVYBSYCBBGLND-DZGCQCFKSA-N 2 1 261.413 2.169 20 10 CECDMP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1N(C)C ZINC000923280335 643636901 /nfs/dbraw/zinc/63/69/01/643636901.db2.gz XETBTERZVHCBSD-UHFFFAOYSA-N 2 1 261.413 2.245 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743567 650888869 /nfs/dbraw/zinc/88/88/69/650888869.db2.gz LDWKPFMVCQBOQU-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743567 650888871 /nfs/dbraw/zinc/88/88/71/650888871.db2.gz LDWKPFMVCQBOQU-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743567 650888874 /nfs/dbraw/zinc/88/88/74/650888874.db2.gz LDWKPFMVCQBOQU-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743567 650888876 /nfs/dbraw/zinc/88/88/76/650888876.db2.gz LDWKPFMVCQBOQU-BBRMVZONSA-N 2 1 290.407 2.317 20 10 CECDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857230143 644861064 /nfs/dbraw/zinc/86/10/64/644861064.db2.gz ODJANBKOLXDTOA-GOEBONIOSA-N 2 1 259.397 2.066 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857230143 644861068 /nfs/dbraw/zinc/86/10/68/644861068.db2.gz ODJANBKOLXDTOA-GOEBONIOSA-N 2 1 259.397 2.066 20 10 CECDMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c(O)c1 ZINC001205017969 805948623 /nfs/dbraw/zinc/94/86/23/805948623.db2.gz QEJNFAHRFOUFJJ-AWEZNQCLSA-N 2 1 262.397 2.386 20 10 CECDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001172112964 815302655 /nfs/dbraw/zinc/30/26/55/815302655.db2.gz BDEDRNRWFONLRP-ZSOGYDGISA-N 2 1 276.380 2.203 20 10 CECDMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1C ZINC001204087456 815355826 /nfs/dbraw/zinc/35/58/26/815355826.db2.gz BPGIYGHBKNOTFK-HRCADAONSA-N 2 1 274.408 2.433 20 10 CECDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1C ZINC001204087457 815356305 /nfs/dbraw/zinc/35/63/05/815356305.db2.gz BPGIYGHBKNOTFK-OWCLPIDISA-N 2 1 274.408 2.433 20 10 CECDMP CN(c1cc(F)c(C[NH+](C)C)c(F)c1)C(C)(C)C[NH3+] ZINC001170060942 812018374 /nfs/dbraw/zinc/01/83/74/812018374.db2.gz YGNPYOUGDXFYFK-UHFFFAOYSA-N 2 1 271.355 2.200 20 10 CECDMP Oc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000179556262 368341878 /nfs/dbraw/zinc/34/18/78/368341878.db2.gz QKJWOFAUCVWBOT-UHFFFAOYSA-N 2 1 260.381 2.452 20 10 CECDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000226180762 333253380 /nfs/dbraw/zinc/25/33/80/333253380.db2.gz UJJMWMSLLBNUJO-UHFFFAOYSA-N 2 1 262.397 2.441 20 10 CECDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000226180762 333253381 /nfs/dbraw/zinc/25/33/81/333253381.db2.gz UJJMWMSLLBNUJO-UHFFFAOYSA-N 2 1 262.397 2.441 20 10 CECDMP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000252666924 334384580 /nfs/dbraw/zinc/38/45/80/334384580.db2.gz CUVLSCBCTBJFPJ-KGLIPLIRSA-N 2 1 276.380 2.117 20 10 CECDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(F)ccc2O)C1 ZINC000290647606 523974532 /nfs/dbraw/zinc/97/45/32/523974532.db2.gz YZNPDKXCKXZZIA-IUODEOHRSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(F)ccc2O)C1 ZINC000290647606 523974534 /nfs/dbraw/zinc/97/45/34/523974534.db2.gz YZNPDKXCKXZZIA-IUODEOHRSA-N 2 1 278.371 2.447 20 10 CECDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(F)ccc2O)C1 ZINC000290647606 523974536 /nfs/dbraw/zinc/97/45/36/523974536.db2.gz YZNPDKXCKXZZIA-IUODEOHRSA-N 2 1 278.371 2.447 20 10 CECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000742207086 575010551 /nfs/dbraw/zinc/01/05/51/575010551.db2.gz OXKYVENEXZNXQK-CZUORRHYSA-N 2 1 274.408 2.441 20 10 CECDMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1 ZINC000742374627 575017922 /nfs/dbraw/zinc/01/79/22/575017922.db2.gz AQWZPBLGNVLUPS-GXTWGEPZSA-N 2 1 278.396 2.363 20 10 CECDMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000742374627 575017924 /nfs/dbraw/zinc/01/79/24/575017924.db2.gz AQWZPBLGNVLUPS-GXTWGEPZSA-N 2 1 278.396 2.363 20 10 CECDMP Cc1cc(N(C)C)ccc1CNCC[N@H+]1CC[C@H](C)C1 ZINC000840935677 628753177 /nfs/dbraw/zinc/75/31/77/628753177.db2.gz AADAPMAARJZXCL-AWEZNQCLSA-N 2 1 275.440 2.492 20 10 CECDMP Cc1cc(N(C)C)ccc1CNCC[N@@H+]1CC[C@H](C)C1 ZINC000840935677 628753179 /nfs/dbraw/zinc/75/31/79/628753179.db2.gz AADAPMAARJZXCL-AWEZNQCLSA-N 2 1 275.440 2.492 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903977559 635395347 /nfs/dbraw/zinc/39/53/47/635395347.db2.gz UELWFYRAHSZQRF-CHWSQXEVSA-N 2 1 278.396 2.208 20 10 CECDMP Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000322346281 632190955 /nfs/dbraw/zinc/19/09/55/632190955.db2.gz DGRWMXQLQNONRR-GOOCMWNKSA-N 2 1 260.381 2.415 20 10 CECDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2c1c(F)ccc2O ZINC000817953227 633796966 /nfs/dbraw/zinc/79/69/66/633796966.db2.gz XQFBLEHEQPXQHG-JFGNBEQYSA-N 2 1 264.344 2.421 20 10 CECDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817981697 633824583 /nfs/dbraw/zinc/82/45/83/633824583.db2.gz MSAISSXMQUJVDJ-PWSUYJOCSA-N 2 1 284.787 2.075 20 10 CECDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817981698 633824860 /nfs/dbraw/zinc/82/48/60/633824860.db2.gz MSAISSXMQUJVDJ-ZYHUDNBSSA-N 2 1 284.787 2.075 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904405773 635612290 /nfs/dbraw/zinc/61/22/90/635612290.db2.gz PJXSRYFGRXNGFS-QDLOVBKTSA-N 2 1 273.424 2.437 20 10 CECDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc4ccncc43)C[C@]2(C)C1 ZINC000904437444 635629994 /nfs/dbraw/zinc/62/99/94/635629994.db2.gz RYTNGSJZPRTROW-KDOFPFPSSA-N 2 1 297.402 2.324 20 10 CECDMP C[N@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc4ccncc43)C[C@]2(C)C1 ZINC000904437444 635629999 /nfs/dbraw/zinc/62/99/99/635629999.db2.gz RYTNGSJZPRTROW-KDOFPFPSSA-N 2 1 297.402 2.324 20 10 CECDMP C[NH+]1C[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)C[C@]2(C)C1 ZINC000904437444 635630002 /nfs/dbraw/zinc/63/00/02/635630002.db2.gz RYTNGSJZPRTROW-KDOFPFPSSA-N 2 1 297.402 2.324 20 10 CECDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)C[C@]2(C)C1 ZINC000904437444 635630006 /nfs/dbraw/zinc/63/00/06/635630006.db2.gz RYTNGSJZPRTROW-KDOFPFPSSA-N 2 1 297.402 2.324 20 10 CECDMP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876940795 650497124 /nfs/dbraw/zinc/49/71/24/650497124.db2.gz XTQMKNTZOYPKSY-UONOGXRCSA-N 2 1 260.381 2.417 20 10 CECDMP Cc1cc(Br)c(O)c(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000841049519 639632455 /nfs/dbraw/zinc/63/24/55/639632455.db2.gz SYKUUOLVXUEVRJ-SECBINFHSA-N 2 1 287.201 2.148 20 10 CECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228536381 639641206 /nfs/dbraw/zinc/64/12/06/639641206.db2.gz SPCVDHPUDCHZKK-NWANDNLSSA-N 2 1 260.381 2.260 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841099571 639661994 /nfs/dbraw/zinc/66/19/94/639661994.db2.gz MEQGGSQAESGADI-CJNGLKHVSA-N 2 1 275.440 2.478 20 10 CECDMP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1O ZINC000062748445 639782921 /nfs/dbraw/zinc/78/29/21/639782921.db2.gz IRYCZULIEDQAHY-GCVQQVDUSA-N 2 1 252.333 2.452 20 10 CECDMP COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000063191911 639837550 /nfs/dbraw/zinc/83/75/50/639837550.db2.gz PIVXBQGBGUSJLX-SMDDNHRTSA-N 2 1 264.369 2.103 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000063191911 639837554 /nfs/dbraw/zinc/83/75/54/639837554.db2.gz PIVXBQGBGUSJLX-SMDDNHRTSA-N 2 1 264.369 2.103 20 10 CECDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191471 639837863 /nfs/dbraw/zinc/83/78/63/639837863.db2.gz SRSSVXUOTVFAAC-CJNGLKHVSA-N 2 1 261.413 2.454 20 10 CECDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000063191471 639837871 /nfs/dbraw/zinc/83/78/71/639837871.db2.gz SRSSVXUOTVFAAC-CJNGLKHVSA-N 2 1 261.413 2.454 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843045379 640250747 /nfs/dbraw/zinc/25/07/47/640250747.db2.gz WANUIZNSJWVGAT-AWEZNQCLSA-N 2 1 262.397 2.440 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c(O)c1 ZINC000843053876 640256394 /nfs/dbraw/zinc/25/63/94/640256394.db2.gz VRRZMOWPNWPWHX-WFASDCNBSA-N 2 1 278.396 2.350 20 10 CECDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000843114950 640284839 /nfs/dbraw/zinc/28/48/39/640284839.db2.gz LRKVVJNXSOHJTF-LAQIPUCWSA-N 2 1 273.424 2.437 20 10 CECDMP Oc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123649 640290138 /nfs/dbraw/zinc/29/01/38/640290138.db2.gz MGACDMVUYKWFNK-HNNXBMFYSA-N 2 1 264.344 2.107 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123649 640290146 /nfs/dbraw/zinc/29/01/46/640290146.db2.gz MGACDMVUYKWFNK-HNNXBMFYSA-N 2 1 264.344 2.107 20 10 CECDMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843124843 640291085 /nfs/dbraw/zinc/29/10/85/640291085.db2.gz JCJJIAVCWCKWFX-KBPBESRZSA-N 2 1 290.407 2.222 20 10 CECDMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(O)c1 ZINC000843126042 640293129 /nfs/dbraw/zinc/29/31/29/640293129.db2.gz FFOYJJBOSFZSEO-OKILXGFUSA-N 2 1 290.407 2.222 20 10 CECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2O)C1 ZINC000180550394 641467020 /nfs/dbraw/zinc/46/70/20/641467020.db2.gz JFBNIOQVCYOINZ-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180550394 641467025 /nfs/dbraw/zinc/46/70/25/641467025.db2.gz JFBNIOQVCYOINZ-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000180550394 641467030 /nfs/dbraw/zinc/46/70/30/641467030.db2.gz JFBNIOQVCYOINZ-CYBMUJFWSA-N 2 1 278.396 2.174 20 10 CECDMP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)cccc1O ZINC000877527826 650768353 /nfs/dbraw/zinc/76/83/53/650768353.db2.gz SIBUEPLVBKDLSG-UHFFFAOYSA-N 2 1 250.386 2.474 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1N(C)C ZINC000923291451 643638553 /nfs/dbraw/zinc/63/85/53/643638553.db2.gz SQMIGAFBIGEWPD-HIFRSBDPSA-N 2 1 261.413 2.230 20 10 CECDMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877742684 650886844 /nfs/dbraw/zinc/88/68/44/650886844.db2.gz QOTRPRPMKJLIRY-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877742684 650886845 /nfs/dbraw/zinc/88/68/45/650886845.db2.gz QOTRPRPMKJLIRY-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1O ZINC000877742684 650886846 /nfs/dbraw/zinc/88/68/46/650886846.db2.gz QOTRPRPMKJLIRY-DZGCQCFKSA-N 2 1 260.381 2.227 20 10 CECDMP CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(O)c1 ZINC000857226740 644859666 /nfs/dbraw/zinc/85/96/66/644859666.db2.gz YJHPMFGYWLOCHZ-CJNGLKHVSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(O)c1 ZINC000857226740 644859672 /nfs/dbraw/zinc/85/96/72/644859672.db2.gz YJHPMFGYWLOCHZ-CJNGLKHVSA-N 2 1 276.380 2.104 20 10 CECDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000126802246 650957555 /nfs/dbraw/zinc/95/75/55/650957555.db2.gz SNLQXCVZMLVHCW-ZJUUUORDSA-N 2 1 254.761 2.215 20 10 CECDMP C[N@@H+](Cc1c(O)cccc1Cl)CC(C)(C)C[NH3+] ZINC000128348232 651422356 /nfs/dbraw/zinc/42/23/56/651422356.db2.gz RZVDURYHBQPPAH-UHFFFAOYSA-N 2 1 256.777 2.462 20 10 CECDMP C[N@H+](Cc1c(O)cccc1Cl)CC(C)(C)C[NH3+] ZINC000128348232 651422355 /nfs/dbraw/zinc/42/23/55/651422355.db2.gz RZVDURYHBQPPAH-UHFFFAOYSA-N 2 1 256.777 2.462 20 10 CECDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000883161000 652383392 /nfs/dbraw/zinc/38/33/92/652383392.db2.gz HOCSWEYPIPGSAA-INIZCTEOSA-N 2 1 294.439 2.186 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1CC[NH3+] ZINC000723906473 802966778 /nfs/dbraw/zinc/96/67/78/802966778.db2.gz VMILBSWSUDEOFH-GHMZBOCLSA-N 2 1 268.788 2.462 20 10 CECDMP Cc1c(C[N@@H+]2CCC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001236244858 808026347 /nfs/dbraw/zinc/02/63/47/808026347.db2.gz FXENEFYKWDIBCJ-CYBMUJFWSA-N 2 1 257.381 2.410 20 10 CECDMP Cc1c(C[N@H+]2CCC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001236244858 808026358 /nfs/dbraw/zinc/02/63/58/808026358.db2.gz FXENEFYKWDIBCJ-CYBMUJFWSA-N 2 1 257.381 2.410 20 10 CECDMP [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000708480837 809928316 /nfs/dbraw/zinc/92/83/16/809928316.db2.gz MMVBBCIELRXWNJ-STQMWFEESA-N 2 1 282.334 2.387 20 10 CECDMP COc1cc(C[N@H+]2CCC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139253141 815995025 /nfs/dbraw/zinc/99/50/25/815995025.db2.gz NDTNHXXAVYIFTO-LBPRGKRZSA-N 2 1 278.396 2.447 20 10 CECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC001139413123 816019296 /nfs/dbraw/zinc/01/92/96/816019296.db2.gz RUYPPZYWQBKFGH-FUHWJXTLSA-N 2 1 285.435 2.423 20 10 CECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001140623702 816307128 /nfs/dbraw/zinc/30/71/28/816307128.db2.gz QPYGNBIYYVDQIM-GDBMZVCRSA-N 2 1 260.381 2.084 20 10 CECDMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC001206304795 816568962 /nfs/dbraw/zinc/56/89/62/816568962.db2.gz PRSQXWISZCZCLA-OAHLLOKOSA-N 2 1 266.360 2.482 20 10 CECDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001206304795 816568963 /nfs/dbraw/zinc/56/89/63/816568963.db2.gz PRSQXWISZCZCLA-OAHLLOKOSA-N 2 1 266.360 2.482 20 10 CECDMP Cc1c(O)ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1O ZINC001206312080 816662765 /nfs/dbraw/zinc/66/27/65/816662765.db2.gz ZIVZMSXFCYWQHP-INIZCTEOSA-N 2 1 278.396 2.357 20 10 CECDMP COc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000293755512 395250841 /nfs/dbraw/zinc/25/08/41/395250841.db2.gz XFDQALNCKWZELT-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293755512 395250845 /nfs/dbraw/zinc/25/08/45/395250845.db2.gz XFDQALNCKWZELT-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293755512 395250849 /nfs/dbraw/zinc/25/08/49/395250849.db2.gz XFDQALNCKWZELT-KRWDZBQOSA-N 2 1 290.407 2.319 20 10 CECDMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000218430580 400308633 /nfs/dbraw/zinc/30/86/33/400308633.db2.gz WRNHFEGCICMEFG-CVEARBPZSA-N 2 1 272.392 2.338 20 10 CECDMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000218430580 400308635 /nfs/dbraw/zinc/30/86/35/400308635.db2.gz WRNHFEGCICMEFG-CVEARBPZSA-N 2 1 272.392 2.338 20 10 CECDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185144791 262043489 /nfs/dbraw/zinc/04/34/89/262043489.db2.gz GLXROUHJKQIRHZ-AWEZNQCLSA-N 2 1 292.423 2.462 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000249384346 334332857 /nfs/dbraw/zinc/33/28/57/334332857.db2.gz XEGHISNCAZAXPC-CHWSQXEVSA-N 2 1 278.396 2.393 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252566747 334382716 /nfs/dbraw/zinc/38/27/16/334382716.db2.gz ZVOGOFMNQMJISF-SOUVJXGZSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252566747 334382718 /nfs/dbraw/zinc/38/27/18/334382718.db2.gz ZVOGOFMNQMJISF-SOUVJXGZSA-N 2 1 290.407 2.214 20 10 CECDMP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000071408007 525348536 /nfs/dbraw/zinc/34/85/36/525348536.db2.gz JZFQEROGUYNVEQ-CYBMUJFWSA-N 2 1 260.381 2.275 20 10 CECDMP COc1cccc(O)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000725848913 625829662 /nfs/dbraw/zinc/82/96/62/625829662.db2.gz CRPCXGMQHIOVBM-CYBMUJFWSA-N 2 1 278.396 2.221 20 10 CECDMP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000925692501 628510161 /nfs/dbraw/zinc/51/01/61/628510161.db2.gz LPCYNFBNMXSUTP-GUYCJALGSA-N 2 1 269.392 2.489 20 10 CECDMP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000925692500 628510585 /nfs/dbraw/zinc/51/05/85/628510585.db2.gz LPCYNFBNMXSUTP-DYVFJYSZSA-N 2 1 269.392 2.489 20 10 CECDMP COc1cc(C)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000894783026 629639838 /nfs/dbraw/zinc/63/98/38/629639838.db2.gz PGQHMPMGMBHOGV-ZFWWWQNUSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000894783026 629639841 /nfs/dbraw/zinc/63/98/41/629639841.db2.gz PGQHMPMGMBHOGV-ZFWWWQNUSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1O ZINC000894783026 629639849 /nfs/dbraw/zinc/63/98/49/629639849.db2.gz PGQHMPMGMBHOGV-ZFWWWQNUSA-N 2 1 292.423 2.481 20 10 CECDMP COc1cc(C)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1O ZINC000894783026 629639851 /nfs/dbraw/zinc/63/98/51/629639851.db2.gz PGQHMPMGMBHOGV-ZFWWWQNUSA-N 2 1 292.423 2.481 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CCN1c1cc[nH+]cc1 ZINC000895558264 630248190 /nfs/dbraw/zinc/24/81/90/630248190.db2.gz UTKCJIRFPQVCRI-AWEZNQCLSA-N 2 1 283.375 2.498 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000824948766 635529712 /nfs/dbraw/zinc/52/97/12/635529712.db2.gz GZDDCABDAKFLHE-TXEJJXNPSA-N 2 1 266.772 2.005 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000824948766 635529714 /nfs/dbraw/zinc/52/97/14/635529714.db2.gz GZDDCABDAKFLHE-TXEJJXNPSA-N 2 1 266.772 2.005 20 10 CECDMP Cc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C ZINC000897621509 631825570 /nfs/dbraw/zinc/82/55/70/631825570.db2.gz FKXVBDSBBCGEDS-WBVHZDCISA-N 2 1 274.408 2.393 20 10 CECDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C ZINC000897621509 631825580 /nfs/dbraw/zinc/82/55/80/631825580.db2.gz FKXVBDSBBCGEDS-WBVHZDCISA-N 2 1 274.408 2.393 20 10 CECDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817897881 633759466 /nfs/dbraw/zinc/75/94/66/633759466.db2.gz CXUXBGIUCJHDMD-CVEARBPZSA-N 2 1 259.397 2.256 20 10 CECDMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1c[nH+]ccc1N ZINC000817902838 633763729 /nfs/dbraw/zinc/76/37/29/633763729.db2.gz ZDFQMUQPOCPGFO-LLVKDONJSA-N 2 1 269.348 2.280 20 10 CECDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000817972629 633815294 /nfs/dbraw/zinc/81/52/94/633815294.db2.gz YUPWLFSBZGQKLI-NRUUGDAUSA-N 2 1 252.333 2.180 20 10 CECDMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1O)CC[NH2+]CC2 ZINC000818431358 633920726 /nfs/dbraw/zinc/92/07/26/633920726.db2.gz JTXZYJLALBWMRQ-ZDUSSCGKSA-N 2 1 260.381 2.356 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C[NH3+] ZINC000904410450 635616392 /nfs/dbraw/zinc/61/63/92/635616392.db2.gz DPPPMWRYUCEPPE-MNOVXSKESA-N 2 1 268.788 2.462 20 10 CECDMP COc1cccc(O)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835063525 638044391 /nfs/dbraw/zinc/04/43/91/638044391.db2.gz ZRGPCTVLIDZIGE-UHFFFAOYSA-N 2 1 278.396 2.365 20 10 CECDMP COC[C@@]1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CCC[NH2+]1 ZINC000841068178 639642228 /nfs/dbraw/zinc/64/22/28/639642228.db2.gz WVFHDRNEEMCPJF-HNNXBMFYSA-N 2 1 298.814 2.212 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000843044651 640249737 /nfs/dbraw/zinc/24/97/37/640249737.db2.gz DOROVGJFKBZZIP-SWLSCSKDSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000843044651 640249740 /nfs/dbraw/zinc/24/97/40/640249740.db2.gz DOROVGJFKBZZIP-SWLSCSKDSA-N 2 1 278.396 2.493 20 10 CECDMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c(O)c1 ZINC000843053873 640256150 /nfs/dbraw/zinc/25/61/50/640256150.db2.gz VRRZMOWPNWPWHX-DOMZBBRYSA-N 2 1 278.396 2.350 20 10 CECDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052447 640256208 /nfs/dbraw/zinc/25/62/08/640256208.db2.gz UEPDNEDXDGHJQW-OCCSQVGLSA-N 2 1 279.403 2.451 20 10 CECDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC000843054232 640257222 /nfs/dbraw/zinc/25/72/22/640257222.db2.gz STGXWVKEGUCXIY-AGUYFDCRSA-N 2 1 264.344 2.376 20 10 CECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000843059939 640263176 /nfs/dbraw/zinc/26/31/76/640263176.db2.gz VQTPVOWWXPWHGM-DZKIICNBSA-N 2 1 291.414 2.451 20 10 CECDMP CCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(O)c1 ZINC000843112658 640285219 /nfs/dbraw/zinc/28/52/19/640285219.db2.gz KWZXPBOXMGIWGZ-ZDUSSCGKSA-N 2 1 278.396 2.352 20 10 CECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921547057 642228172 /nfs/dbraw/zinc/22/81/72/642228172.db2.gz KUTPMORIHLSWDF-OAHLLOKOSA-N 2 1 274.408 2.443 20 10 CECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921547056 642228619 /nfs/dbraw/zinc/22/86/19/642228619.db2.gz KUTPMORIHLSWDF-HNNXBMFYSA-N 2 1 274.408 2.443 20 10 CECDMP Cc1cccc(O)c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000877535411 650774098 /nfs/dbraw/zinc/77/40/98/650774098.db2.gz MKZZEPBQHGPZMA-UHFFFAOYSA-N 2 1 293.455 2.016 20 10 CECDMP CCC[N@H+](Cc1ccccc1O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745670 643530408 /nfs/dbraw/zinc/53/04/08/643530408.db2.gz ZNTFGXNVLDPJES-OAHLLOKOSA-N 2 1 290.407 2.125 20 10 CECDMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877742686 650887986 /nfs/dbraw/zinc/88/79/86/650887986.db2.gz QOTRPRPMKJLIRY-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877742686 650887988 /nfs/dbraw/zinc/88/79/88/650887988.db2.gz QOTRPRPMKJLIRY-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1O ZINC000877742686 650887990 /nfs/dbraw/zinc/88/79/90/650887990.db2.gz QOTRPRPMKJLIRY-UKRRQHHQSA-N 2 1 260.381 2.227 20 10 CECDMP CCOc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857226301 644858373 /nfs/dbraw/zinc/85/83/73/644858373.db2.gz KISNRORGNISBMM-CJNGLKHVSA-N 2 1 276.380 2.104 20 10 CECDMP CCOc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857226301 644858381 /nfs/dbraw/zinc/85/83/81/644858381.db2.gz KISNRORGNISBMM-CJNGLKHVSA-N 2 1 276.380 2.104 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000769473529 646275302 /nfs/dbraw/zinc/27/53/02/646275302.db2.gz OWWKYHMTGOXERM-AWEZNQCLSA-N 2 1 290.407 2.319 20 10 CECDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000863487896 646741291 /nfs/dbraw/zinc/74/12/91/646741291.db2.gz YABUQIPFBAKEJA-SUMWQHHRSA-N 2 1 289.423 2.004 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000873217216 649593807 /nfs/dbraw/zinc/59/38/07/649593807.db2.gz KHLGWMIEGMKNRV-UKRRQHHQSA-N 2 1 261.413 2.088 20 10 CECDMP COc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1O ZINC000091844414 803389082 /nfs/dbraw/zinc/38/90/82/803389082.db2.gz BSOCLWBBQLTHST-UHFFFAOYSA-N 2 1 264.369 2.103 20 10 CECDMP Cc1cccc(O)c1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235130328 807779492 /nfs/dbraw/zinc/77/94/92/807779492.db2.gz STMGFYUTYZSAQP-INIZCTEOSA-N 2 1 260.381 2.419 20 10 CECDMP Cc1cccc(O)c1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235130328 807779495 /nfs/dbraw/zinc/77/94/95/807779495.db2.gz STMGFYUTYZSAQP-INIZCTEOSA-N 2 1 260.381 2.419 20 10 CECDMP CCc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001236784689 808165793 /nfs/dbraw/zinc/16/57/93/808165793.db2.gz YKCHQNHPSBVUKE-UHFFFAOYSA-N 2 1 262.397 2.481 20 10 CECDMP CCc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001236784689 808165795 /nfs/dbraw/zinc/16/57/95/808165795.db2.gz YKCHQNHPSBVUKE-UHFFFAOYSA-N 2 1 262.397 2.481 20 10 CECDMP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381332409 810328617 /nfs/dbraw/zinc/32/86/17/810328617.db2.gz BTZNKBSPVGNBTI-MFKMUULPSA-N 2 1 266.772 2.229 20 10 CECDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381332409 810328622 /nfs/dbraw/zinc/32/86/22/810328622.db2.gz BTZNKBSPVGNBTI-MFKMUULPSA-N 2 1 266.772 2.229 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290626964 344684546 /nfs/dbraw/zinc/68/45/46/344684546.db2.gz XOWGWACDBOMLPG-IUODEOHRSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290626964 344684548 /nfs/dbraw/zinc/68/45/48/344684548.db2.gz XOWGWACDBOMLPG-IUODEOHRSA-N 2 1 278.396 2.173 20 10 CECDMP COc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290626964 344684550 /nfs/dbraw/zinc/68/45/50/344684550.db2.gz XOWGWACDBOMLPG-IUODEOHRSA-N 2 1 278.396 2.173 20 10 CECDMP COc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1O ZINC000375469501 374659599 /nfs/dbraw/zinc/65/95/99/374659599.db2.gz ANQCGILMXPLVLX-UHFFFAOYSA-N 2 1 290.407 2.461 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174514713 395125228 /nfs/dbraw/zinc/12/52/28/395125228.db2.gz WBWVGKFYQJODSP-TZMCWYRMSA-N 2 1 279.403 2.464 20 10 CECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC[N@H+]1C ZINC000174514713 395125230 /nfs/dbraw/zinc/12/52/30/395125230.db2.gz WBWVGKFYQJODSP-TZMCWYRMSA-N 2 1 279.403 2.464 20 10 CECDMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCC2 ZINC000037363538 260094623 /nfs/dbraw/zinc/09/46/23/260094623.db2.gz CDVDQJKLSZWVMH-UHFFFAOYSA-N 2 1 272.392 2.338 20 10 CECDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179630672 261804395 /nfs/dbraw/zinc/80/43/95/261804395.db2.gz LYPXFPAXZXZBBF-HNNXBMFYSA-N 2 1 261.413 2.136 20 10 CECDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290611149 263117935 /nfs/dbraw/zinc/11/79/35/263117935.db2.gz WPKIGHQENSOUCS-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000290611149 263117936 /nfs/dbraw/zinc/11/79/36/263117936.db2.gz WPKIGHQENSOUCS-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP COc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000290611149 263117937 /nfs/dbraw/zinc/11/79/37/263117937.db2.gz WPKIGHQENSOUCS-CJNGLKHVSA-N 2 1 290.407 2.317 20 10 CECDMP CCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000292781232 521344619 /nfs/dbraw/zinc/34/46/19/521344619.db2.gz LKSCHSQOEVRPJK-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000292781232 521344631 /nfs/dbraw/zinc/34/46/31/521344631.db2.gz LKSCHSQOEVRPJK-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP CCOc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292781232 521344638 /nfs/dbraw/zinc/34/46/38/521344638.db2.gz LKSCHSQOEVRPJK-QGZVFWFLSA-N 2 1 290.407 2.319 20 10 CECDMP CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000743869826 575111686 /nfs/dbraw/zinc/11/16/86/575111686.db2.gz BRROQKFUYWNFOL-INIZCTEOSA-N 2 1 292.423 2.061 20 10 CECDMP CCC[N@H+](Cc1ccccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000743869826 575111688 /nfs/dbraw/zinc/11/16/88/575111688.db2.gz BRROQKFUYWNFOL-INIZCTEOSA-N 2 1 292.423 2.061 20 10 CECDMP Oc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000300417247 622878042 /nfs/dbraw/zinc/87/80/42/622878042.db2.gz NPPRPOHLZYJXQS-SWLSCSKDSA-N 2 1 278.371 2.495 20 10 CECDMP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(O)c1 ZINC000725846684 625768305 /nfs/dbraw/zinc/76/83/05/625768305.db2.gz KYVBXDSNARBFCS-UHFFFAOYSA-N 2 1 289.379 2.476 20 10 CECDMP C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CCC[NH2+]C1 ZINC000841032708 631820069 /nfs/dbraw/zinc/82/00/69/631820069.db2.gz FNZLQYLFLNTKFS-MNOVXSKESA-N 2 1 252.333 2.009 20 10 CECDMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817961026 633802525 /nfs/dbraw/zinc/80/25/25/633802525.db2.gz WJZDJZFJOLZDNE-GFCCVEGCSA-N 2 1 295.402 2.050 20 10 CECDMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1O ZINC000817969760 633812336 /nfs/dbraw/zinc/81/23/36/633812336.db2.gz ZLZQUPNUVPISOF-CMPLNLGQSA-N 2 1 252.333 2.324 20 10 CECDMP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1O ZINC000817973369 633817302 /nfs/dbraw/zinc/81/73/02/633817302.db2.gz DSFRTBPRJLBPTI-ZBFHGGJFSA-N 2 1 278.396 2.202 20 10 CECDMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1O ZINC000817976852 633820650 /nfs/dbraw/zinc/82/06/50/633820650.db2.gz VMJRDQGTOOGJOC-YGRLFVJLSA-N 2 1 264.344 2.324 20 10 CECDMP COc1cccc(O)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818431221 633920949 /nfs/dbraw/zinc/92/09/49/633920949.db2.gz HBBUOELCRMBDBT-CYBMUJFWSA-N 2 1 290.407 2.365 20 10 CECDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C[NH3+] ZINC000904410449 635616475 /nfs/dbraw/zinc/61/64/75/635616475.db2.gz DPPPMWRYUCEPPE-GHMZBOCLSA-N 2 1 268.788 2.462 20 10 CECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1C[NH3+] ZINC000904411251 635619474 /nfs/dbraw/zinc/61/94/74/635619474.db2.gz KHKHNXBBPRGXFQ-ZFWWWQNUSA-N 2 1 261.413 2.169 20 10 CECDMP Oc1c(F)cccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089348 637710125 /nfs/dbraw/zinc/71/01/25/637710125.db2.gz LSVCGJRMGSKCHG-LBPRGKRZSA-N 2 1 264.344 2.296 20 10 CECDMP [NH3+]CCc1ccc(C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000841032594 639625246 /nfs/dbraw/zinc/62/52/46/639625246.db2.gz UIHRIIHEBPYMJR-UHFFFAOYSA-N 2 1 274.339 2.322 20 10 CECDMP CCOCc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000841079557 639648832 /nfs/dbraw/zinc/64/88/32/639648832.db2.gz KUXUJAQRNYQZTG-VXGBXAGGSA-N 2 1 266.385 2.057 20 10 CECDMP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000841085224 639650873 /nfs/dbraw/zinc/65/08/73/639650873.db2.gz XBVLPBPKDYZOFL-RKDXNWHRSA-N 2 1 272.751 2.402 20 10 CECDMP CN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC000841088401 639652118 /nfs/dbraw/zinc/65/21/18/639652118.db2.gz VOAKGEIMBIVIIO-HNNXBMFYSA-N 2 1 279.403 2.499 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000229104870 639676503 /nfs/dbraw/zinc/67/65/03/639676503.db2.gz YXTZWIZYEUZUPF-VHSXEESVSA-N 2 1 284.787 2.223 20 10 CECDMP COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000229104730 639676523 /nfs/dbraw/zinc/67/65/23/639676523.db2.gz LZNIGIMYPJFGHQ-CABZTGNLSA-N 2 1 284.787 2.366 20 10 CECDMP COc1cc(Cl)cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000229104730 639676525 /nfs/dbraw/zinc/67/65/25/639676525.db2.gz LZNIGIMYPJFGHQ-CABZTGNLSA-N 2 1 284.787 2.366 20 10 CECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843044974 640250191 /nfs/dbraw/zinc/25/01/91/640250191.db2.gz OGTCXMMATJMVLX-HNNXBMFYSA-N 2 1 275.440 2.492 20 10 CECDMP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000843048636 640253831 /nfs/dbraw/zinc/25/38/31/640253831.db2.gz MLXGEJNUPFEBLJ-JTQLQIEISA-N 2 1 252.333 2.091 20 10 CECDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843057382 640260151 /nfs/dbraw/zinc/26/01/51/640260151.db2.gz JSRZCHFPANMWJY-ZFWWWQNUSA-N 2 1 261.413 2.230 20 10 CECDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000843058701 640261748 /nfs/dbraw/zinc/26/17/48/640261748.db2.gz WHAMBXSFODACND-SBAHZNLJSA-N 2 1 273.424 2.435 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000843120883 640289241 /nfs/dbraw/zinc/28/92/41/640289241.db2.gz XGPUQCKGKVIECD-INIZCTEOSA-N 2 1 260.381 2.194 20 10 CECDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000843126039 640293387 /nfs/dbraw/zinc/29/33/87/640293387.db2.gz FEZDFWKHXGCKMT-UKRRQHHQSA-N 2 1 260.381 2.193 20 10 CECDMP CCO[C@@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)C[C@H]1C[NH3+] ZINC000844903942 640861439 /nfs/dbraw/zinc/86/14/39/640861439.db2.gz SLISRXVNWMLJPL-IAQYHMDHSA-N 2 1 298.814 2.150 20 10 CECDMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1N(C)C ZINC000923358687 643677325 /nfs/dbraw/zinc/67/73/25/643677325.db2.gz KNZWGMMFQFLJTA-CVEARBPZSA-N 2 1 273.424 2.245 20 10 CECDMP COc1ccc(O)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000839182816 644182208 /nfs/dbraw/zinc/18/22/08/644182208.db2.gz PWFZXDQONMZANR-ZDUSSCGKSA-N 2 1 278.396 2.222 20 10 CECDMP C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(F)F ZINC000883407544 652459775 /nfs/dbraw/zinc/45/97/75/652459775.db2.gz YLWTYOBYUDLXGG-GFCCVEGCSA-N 2 1 283.366 2.182 20 10 CECDMP