smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000019883949 168390710 /nfs/dbraw/zinc/39/07/10/168390710.db2.gz BOIAQDUXFVBREB-VIFPVBQESA-N 1 0 223.316 2.937 10 10 BFCERO CCC(CC)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000019883950 168392428 /nfs/dbraw/zinc/39/24/28/168392428.db2.gz BOIAQDUXFVBREB-SECBINFHSA-N 1 0 223.316 2.937 10 10 BFCERO [NH3+][C@@H]1CCc2cc(N3CCCCC3)c(F)cc21 ZINC000117338901 345772383 /nfs/dbraw/zinc/77/23/83/345772383.db2.gz YYOXLSJJJPWWSK-CYBMUJFWSA-N 1 0 234.318 2.762 10 10 BFCERO C[NH2+]Cc1ccc(N(C)C2CCCC2)c(F)c1 ZINC000034824807 187594807 /nfs/dbraw/zinc/59/48/07/187594807.db2.gz GDSFTTXLRHPILT-UHFFFAOYSA-N 1 0 236.334 2.924 10 10 BFCERO CC(C)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000034655490 188012780 /nfs/dbraw/zinc/01/27/80/188012780.db2.gz YZFGMASHCGOXNH-UHFFFAOYSA-N 1 0 204.317 2.523 10 10 BFCERO CCCN(C[C@@H]1CCCO1)c1ccc(C[NH3+])cc1 ZINC000034654623 188285136 /nfs/dbraw/zinc/28/51/36/188285136.db2.gz SNHBVIYPCIQKPK-HNNXBMFYSA-N 1 0 248.370 2.541 10 10 BFCERO CCN(CC)c1ccc(C[NH3+])cc1Cl ZINC000062792793 188362066 /nfs/dbraw/zinc/36/20/66/188362066.db2.gz SOPMNOKCSJUPDR-UHFFFAOYSA-N 1 0 212.724 2.645 10 10 BFCERO Nc1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1O ZINC000039367761 358223122 /nfs/dbraw/zinc/22/31/22/358223122.db2.gz HKCTYTQTVVTXBH-ZDUSSCGKSA-N 1 0 248.713 2.676 10 10 BFCERO N#[N+]CC(=O)[C@H]1CCC2(C1)CCCCCC2 ZINC000584603585 358262507 /nfs/dbraw/zinc/26/25/07/358262507.db2.gz GWHHMDBCVCBGCC-NSHDSACASA-N 1 0 220.316 2.997 10 10 BFCERO CCCCN(C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000019872276 168786547 /nfs/dbraw/zinc/78/65/47/168786547.db2.gz RKOMIUHGRQOILG-LLVKDONJSA-N 1 0 206.333 2.943 10 10 BFCERO CCCN(C)c1ccc(C[NH3+])c(Cl)c1 ZINC000061845637 169088675 /nfs/dbraw/zinc/08/86/75/169088675.db2.gz IFCMQOAHRYJCDW-UHFFFAOYSA-N 1 0 212.724 2.645 10 10 BFCERO Oc1ccc2ccccc2c1C[NH2+]C1CC1 ZINC000022210051 183284446 /nfs/dbraw/zinc/28/44/46/183284446.db2.gz FKYWPUOPZRJTOW-UHFFFAOYSA-N 1 0 213.280 2.797 10 10 BFCERO Oc1cccc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c1O ZINC000104242047 183291689 /nfs/dbraw/zinc/29/16/89/183291689.db2.gz MLQLEVCDTAXPNC-LOWVWBTDSA-N 1 0 247.338 2.624 10 10 BFCERO Oc1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000228155700 183301437 /nfs/dbraw/zinc/30/14/37/183301437.db2.gz HDDAXMZVWBMZCO-HIFRSBDPSA-N 1 0 247.338 2.536 10 10 BFCERO CCCN([C@@H](C)c1ccccc1O)[C@H]1CC[NH2+]C1 ZINC000071314573 169180815 /nfs/dbraw/zinc/18/08/15/169180815.db2.gz OIMWGUKMLHYNLB-STQMWFEESA-N 1 0 248.370 2.527 10 10 BFCERO C[C@@H]1C[NH2+][C@H](c2cc(Cl)ccc2O)C1 ZINC000003705276 384022862 /nfs/dbraw/zinc/02/28/62/384022862.db2.gz SODBIXBLSQETCO-XVKPBYJWSA-N 1 0 211.692 2.716 10 10 BFCERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccccc1O ZINC000249728732 386846317 /nfs/dbraw/zinc/84/63/17/386846317.db2.gz WEJSQOCPSZFECS-KCQAQPDRSA-N 1 0 249.354 2.736 10 10 BFCERO CC(C)(C)Oc1ccc(O)c([C@H]([NH3+])CF)c1 ZINC000575192089 386978344 /nfs/dbraw/zinc/97/83/44/386978344.db2.gz SAKKBNYQXGJSQJ-SNVBAGLBSA-N 1 0 227.279 2.539 10 10 BFCERO CCN(CC)c1ccc([C@H]([NH3+])CCF)cc1 ZINC000575439200 387121886 /nfs/dbraw/zinc/12/18/86/387121886.db2.gz QIWJOOXRTSUXGI-CYBMUJFWSA-N 1 0 224.323 2.892 10 10 BFCERO [NH3+][C@H](CCF)c1c(O)ccc2ccccc21 ZINC000575440026 387127757 /nfs/dbraw/zinc/12/77/57/387127757.db2.gz ZKHQGENGFBVICL-LLVKDONJSA-N 1 0 219.259 2.905 10 10 BFCERO C[C@@H]1CCCN(c2ccc(C[NH3+])cc2F)C1 ZINC000011757294 132320380 /nfs/dbraw/zinc/32/03/80/132320380.db2.gz MBVGJZJNNPFIRK-SNVBAGLBSA-N 1 0 222.307 2.521 10 10 BFCERO CC[C@H]1CCCN(c2ccc(C[NH3+])cc2)C1 ZINC000036168559 132340303 /nfs/dbraw/zinc/34/03/03/132340303.db2.gz ATGTWQABWIZRSD-LBPRGKRZSA-N 1 0 218.344 2.772 10 10 BFCERO Cc1cc(N2CCC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC000063063386 132388511 /nfs/dbraw/zinc/38/85/11/132388511.db2.gz MAMRTAREMXJREE-CYBMUJFWSA-N 1 0 248.370 2.710 10 10 BFCERO C[C@H]1CCCN(c2c(F)cc(C[NH3+])cc2F)C1 ZINC000062709141 132502988 /nfs/dbraw/zinc/50/29/88/132502988.db2.gz HMFRTKAYEFCZES-VIFPVBQESA-N 1 0 240.297 2.660 10 10 BFCERO CC(C)[NH2+]CCCCc1ccc(N)cc1 ZINC000049813512 167102071 /nfs/dbraw/zinc/10/20/71/167102071.db2.gz HLXWAIFZZLJQJJ-UHFFFAOYSA-N 1 0 206.333 2.590 10 10 BFCERO CC(C)[C@@H](C)N(C)c1ccc(C[NH3+])cc1F ZINC000037504801 167371182 /nfs/dbraw/zinc/37/11/82/167371182.db2.gz DIYMFHHLWRTIFU-SNVBAGLBSA-N 1 0 224.323 2.765 10 10 BFCERO CC[NH2+]Cc1cc(C(C)(C)C)ccc1O ZINC000082721492 170124171 /nfs/dbraw/zinc/12/41/71/170124171.db2.gz YGPYKRSFQVPDOX-UHFFFAOYSA-N 1 0 207.317 2.799 10 10 BFCERO CC[NH2+]Cc1ccc(N2CCCC2)cc1C ZINC000050580932 170127311 /nfs/dbraw/zinc/12/73/11/170127311.db2.gz OFRGTCAIACMNJF-UHFFFAOYSA-N 1 0 218.344 2.705 10 10 BFCERO CC[NH2+]Cc1ccc(N2CCC[C@H]2C)cc1 ZINC000037911765 170127381 /nfs/dbraw/zinc/12/73/81/170127381.db2.gz IRJRHEFVJHDVBK-GFCCVEGCSA-N 1 0 218.344 2.785 10 10 BFCERO CC[NH2+]Cc1ccc(N2CCCC2)c(F)c1 ZINC000034823025 170127586 /nfs/dbraw/zinc/12/75/86/170127586.db2.gz FCQSIMCEQGLYDW-UHFFFAOYSA-N 1 0 222.307 2.535 10 10 BFCERO CC[C@@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000037110382 170726020 /nfs/dbraw/zinc/72/60/20/170726020.db2.gz HIZJFMRMWFJAHM-GHMZBOCLSA-N 1 0 206.333 2.941 10 10 BFCERO C[NH2+]Cc1cc(F)c(N2CC[C@H](C)C2)c(F)c1 ZINC000062711609 173386967 /nfs/dbraw/zinc/38/69/67/173386967.db2.gz ZNRJQAUUSOCUDA-VIFPVBQESA-N 1 0 240.297 2.530 10 10 BFCERO C[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1C ZINC000050583970 173388567 /nfs/dbraw/zinc/38/85/67/173388567.db2.gz XPXMVLZAMDTVIF-SWLSCSKDSA-N 1 0 230.355 2.703 10 10 BFCERO C[NH2+]Cc1cnc(-c2ccc(N(C)C)cc2)s1 ZINC000040996895 173392137 /nfs/dbraw/zinc/39/21/37/173392137.db2.gz LSFGVYJWUAXYMF-UHFFFAOYSA-N 1 0 247.367 2.596 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N2CC[C@@H](C)C2)cc1 ZINC000040718495 173448384 /nfs/dbraw/zinc/44/83/84/173448384.db2.gz ZGZLBFUIEUZYQM-VXGBXAGGSA-N 1 0 218.344 2.813 10 10 BFCERO COCCC[N@H+](Cc1ccc(N)cc1)C(C)C ZINC000037753928 174226312 /nfs/dbraw/zinc/22/63/12/174226312.db2.gz JJNBETGMHDFAFU-UHFFFAOYSA-N 1 0 236.359 2.516 10 10 BFCERO COc1ccc(C[NH2+]C2CCC2)cc1C ZINC000052208430 175105428 /nfs/dbraw/zinc/10/54/28/175105428.db2.gz GMKHQMXINHSSNM-UHFFFAOYSA-N 1 0 205.301 2.646 10 10 BFCERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c(O)c1 ZINC000035732870 175177064 /nfs/dbraw/zinc/17/70/64/175177064.db2.gz KRFLUFFPQCQJRS-VHSXEESVSA-N 1 0 235.327 2.850 10 10 BFCERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000071206818 176132300 /nfs/dbraw/zinc/13/23/00/176132300.db2.gz FBEPACYHYQSCMX-DOMZBBRYSA-N 1 0 244.382 2.957 10 10 BFCERO C[C@@H]1CC[N@H+](CCOc2ccc(N)cc2)[C@H](C)C1 ZINC000051729151 176171206 /nfs/dbraw/zinc/17/12/06/176171206.db2.gz PEQPNARGKPUFJY-CHWSQXEVSA-N 1 0 248.370 2.768 10 10 BFCERO C[C@@H]1CCN(c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000061845959 176181421 /nfs/dbraw/zinc/18/14/21/176181421.db2.gz YKUUWAGJWHXASO-SECBINFHSA-N 1 0 224.735 2.645 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N2CC[C@@H](C)C2)c(F)c1 ZINC000040718473 176181736 /nfs/dbraw/zinc/18/17/36/176181736.db2.gz YXMSQJVJKTUTAM-NXEZZACHSA-N 1 0 222.307 2.692 10 10 BFCERO C[C@H]1CCC[N@H+](CCCc2ccc(N)cc2)C1 ZINC000020192400 177097083 /nfs/dbraw/zinc/09/70/83/177097083.db2.gz POMINYUXHJDWKG-ZDUSSCGKSA-N 1 0 232.371 2.933 10 10 BFCERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000052271269 177350221 /nfs/dbraw/zinc/35/02/21/177350221.db2.gz VIRYPQQNJQHRLI-XVKPBYJWSA-N 1 0 211.692 2.544 10 10 BFCERO Cc1cc([C@H]([NH3+])CC(C)C)c(O)cc1F ZINC000757133857 582510329 /nfs/dbraw/zinc/51/03/29/582510329.db2.gz ZOJBJUUWRJONIM-LLVKDONJSA-N 1 0 211.280 2.886 10 10 BFCERO CC(C)Oc1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000071563550 535000512 /nfs/dbraw/zinc/00/05/12/535000512.db2.gz JIVDIANXIILVFY-CHWSQXEVSA-N 1 0 248.370 2.660 10 10 BFCERO CC[NH2+][C@H](C)c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000034838172 535515976 /nfs/dbraw/zinc/51/59/76/535515976.db2.gz ATIVKRUMTKYPPP-CHWSQXEVSA-N 1 0 248.370 2.582 10 10 BFCERO CCOc1ccc(N2CC[C@@H]([NH2+]C)[C@H](C)C2)cc1 ZINC000049694252 535735523 /nfs/dbraw/zinc/73/55/23/535735523.db2.gz BLSFVNMDVJEXQX-IUODEOHRSA-N 1 0 248.370 2.520 10 10 BFCERO CC[C@@H]1CO[C@@H](C)CN1c1ccc([C@@H](C)[NH3+])cc1 ZINC000042450918 535843920 /nfs/dbraw/zinc/84/39/20/535843920.db2.gz FJQCNRRDENOIJX-OUCADQQQSA-N 1 0 248.370 2.710 10 10 BFCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083379332 536708182 /nfs/dbraw/zinc/70/81/82/536708182.db2.gz KLZLPZNXZJKOHP-WFASDCNBSA-N 1 0 248.370 2.518 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c(O)c1 ZINC000217616766 583172594 /nfs/dbraw/zinc/17/25/94/583172594.db2.gz YRVXDYJQRCUFAN-YNEHKIRRSA-N 1 0 249.354 2.655 10 10 BFCERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1O ZINC000052270342 632822185 /nfs/dbraw/zinc/82/21/85/632822185.db2.gz SBQUBICOFVAQLX-ZMLRMANQSA-N 1 0 205.301 2.841 10 10 BFCERO COC1CC([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000230675041 641080924 /nfs/dbraw/zinc/08/09/24/641080924.db2.gz ABUUPCSCFXXVSE-VOMCLLRMSA-N 1 0 235.327 2.529 10 10 BFCERO Cc1ccc(O)c(C[NH2+]Cc2cccc(C)n2)c1 ZINC000071409090 643143159 /nfs/dbraw/zinc/14/31/59/643143159.db2.gz MLIKNHFCTUWSIJ-UHFFFAOYSA-N 1 0 242.322 2.694 10 10 BFCERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1O ZINC000249897299 644743451 /nfs/dbraw/zinc/74/34/51/644743451.db2.gz SBQUBICOFVAQLX-ADEWGFFLSA-N 1 0 205.301 2.841 10 10 BFCERO CC[C@H]([NH2+]C1CC(COC)C1)c1ccccc1O ZINC000713986090 712476359 /nfs/dbraw/zinc/47/63/59/712476359.db2.gz RVQLWFOIOVHNMH-YIZWMMSDSA-N 1 0 249.354 2.858 10 10 BFCERO CC[C@@H]([NH2+]C1CC(COC)C1)c1ccccc1O ZINC000713986087 712476676 /nfs/dbraw/zinc/47/66/76/712476676.db2.gz RVQLWFOIOVHNMH-ORHYLEIMSA-N 1 0 249.354 2.858 10 10 BFCERO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096099 712807887 /nfs/dbraw/zinc/80/78/87/712807887.db2.gz JCVZYUZNJCFKFA-OLZOCXBDSA-N 1 0 249.354 2.920 10 10 BFCERO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c(O)c1 ZINC000038095886 712808090 /nfs/dbraw/zinc/80/80/90/712808090.db2.gz XJDALQCGBLXXNU-OLZOCXBDSA-N 1 0 249.354 2.920 10 10 BFCERO Cc1cc([C@@H]2CCC[NH2+]2)c(O)cc1Cl ZINC000072202027 178239873 /nfs/dbraw/zinc/23/98/73/178239873.db2.gz NEUNJLMZJNEZOK-JTQLQIEISA-N 1 0 211.692 2.779 10 10 BFCERO C[C@H]1C[NH2+][C@@H](c2cc(Cl)ccc2O)C1 ZINC000003705279 342736896 /nfs/dbraw/zinc/73/68/96/342736896.db2.gz SODBIXBLSQETCO-GMSGAONNSA-N 1 0 211.692 2.716 10 10 BFCERO Cc1ccc(F)c([C@H]2CCCC[NH2+]2)c1O ZINC000214983790 342924331 /nfs/dbraw/zinc/92/43/31/342924331.db2.gz DECNUYTXZDXEAG-SNVBAGLBSA-N 1 0 209.264 2.654 10 10 BFCERO CCN(CC)c1ccc([C@@H]2CC[NH2+]2)cc1 ZINC000044257778 344996687 /nfs/dbraw/zinc/99/66/87/344996687.db2.gz NUNNGMVXFAEVEU-ZDUSSCGKSA-N 1 0 204.317 2.567 10 10 BFCERO Cc1cc(Cl)cc([C@@H]2CCC[NH2+]2)c1O ZINC000238536020 345072441 /nfs/dbraw/zinc/07/24/41/345072441.db2.gz RJHKBRLFRDXJDB-JTQLQIEISA-N 1 0 211.692 2.779 10 10 BFCERO C[N@H+](Cc1ccc(N)cc1)C1CCSCC1 ZINC000034417130 345828650 /nfs/dbraw/zinc/82/86/50/345828650.db2.gz LCWQERLGNOZTIF-UHFFFAOYSA-N 1 0 236.384 2.596 10 10 BFCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCOC[C@@H](C)C1 ZINC000377550562 346650888 /nfs/dbraw/zinc/65/08/88/346650888.db2.gz PMVNFTGYVDCZQU-JSGCOSHPSA-N 1 0 249.354 2.812 10 10 BFCERO CC([N+]#N)c1ccc(C(F)(F)F)cc1 ZINC000220384596 350172580 /nfs/dbraw/zinc/17/25/80/350172580.db2.gz ZREDPIZIZXSFAC-UHFFFAOYSA-N 1 0 200.163 2.744 10 10 BFCERO [NH3+]Cc1ccc(Sc2nccs2)c(F)c1 ZINC000040677112 187971150 /nfs/dbraw/zinc/97/11/50/187971150.db2.gz JGVFMJQDQUCSHL-UHFFFAOYSA-N 1 0 240.328 2.892 10 10 BFCERO Nc1ccc2c(N)c3ccccc3[nH+]c2c1 ZINC000027556185 188010183 /nfs/dbraw/zinc/01/01/83/188010183.db2.gz AMOPBNMABDFREG-UHFFFAOYSA-N 1 0 209.252 2.552 10 10 BFCERO C=COCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052367 188284985 /nfs/dbraw/zinc/28/49/85/188284985.db2.gz BQVPHVBRAOWXJG-UHFFFAOYSA-N 1 0 235.327 2.643 10 10 BFCERO Cc1cc(C[NH3+])ccc1N(C)[C@@H](C)C1CC1 ZINC000037733231 188288621 /nfs/dbraw/zinc/28/86/21/188288621.db2.gz SYVLRKBHLNLGAI-NSHDSACASA-N 1 0 218.344 2.688 10 10 BFCERO N=[N+]=CC(=O)C(c1ccccc1)c1ccccc1 ZINC000096288841 181208158 /nfs/dbraw/zinc/20/81/58/181208158.db2.gz LSOKHVFNTYTHIV-UHFFFAOYSA-N 1 0 237.282 2.698 10 10 BFCERO [NH3+]Cc1cc(F)c(N2CCCCCC2)c(F)c1 ZINC000062709172 181476775 /nfs/dbraw/zinc/47/67/75/181476775.db2.gz XEXNSOXVYIRKLX-UHFFFAOYSA-N 1 0 240.297 2.804 10 10 BFCERO CC(C)[NH+](CCOc1ccc(N)cc1)C(C)C ZINC000039343326 372951200 /nfs/dbraw/zinc/95/12/00/372951200.db2.gz FFHLXWSOJOAYQM-UHFFFAOYSA-N 1 0 236.359 2.766 10 10 BFCERO CCCN(C)c1ccc([C@H](C)[NH3+])cc1F ZINC000037098552 169088919 /nfs/dbraw/zinc/08/89/19/169088919.db2.gz PTNMLBVLVOIRBJ-VIFPVBQESA-N 1 0 210.296 2.692 10 10 BFCERO [NH3+][C@H](CC(F)(F)F)c1ccc2[nH]ccc2c1O ZINC000089204345 383946798 /nfs/dbraw/zinc/94/67/98/383946798.db2.gz ORRRSXKUHFNADE-MRVPVSSYSA-N 1 0 244.216 2.826 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c(O)c1 ZINC000134246311 384343276 /nfs/dbraw/zinc/34/32/76/384343276.db2.gz RQSQMPWMSDOTCC-LOWVWBTDSA-N 1 0 235.327 2.529 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)c(O)c1 ZINC000103959367 384790630 /nfs/dbraw/zinc/79/06/30/384790630.db2.gz XLYIYKAGLINWEO-NWDGAFQWSA-N 1 0 235.327 2.530 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000052273043 385271219 /nfs/dbraw/zinc/27/12/19/385271219.db2.gz ZVWYNTPCMRXARP-JBLDHEPKSA-N 1 0 205.301 2.760 10 10 BFCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccc1O ZINC000183523231 385767873 /nfs/dbraw/zinc/76/78/73/385767873.db2.gz KNVBCHOZRSZFLE-OUCADQQQSA-N 1 0 249.354 2.594 10 10 BFCERO C[C@@H]([NH2+]Cc1ccc(N)cc1)C(C)(C)C ZINC000299805281 386491069 /nfs/dbraw/zinc/49/10/69/386491069.db2.gz HBEOFJYRBYXCMN-SNVBAGLBSA-N 1 0 206.333 2.793 10 10 BFCERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1O ZINC000228799676 387116559 /nfs/dbraw/zinc/11/65/59/387116559.db2.gz MYEUKCXCZGDORR-VZJVUDMVSA-N 1 0 247.338 2.610 10 10 BFCERO Cc1cc(F)cc([C@H]([NH3+])CC(C)C)c1O ZINC000575439469 387123880 /nfs/dbraw/zinc/12/38/80/387123880.db2.gz NDCGDHGQGIUTKE-LLVKDONJSA-N 1 0 211.280 2.886 10 10 BFCERO Cc1cc(N2CCC[C@H](C)C2)ccc1C[NH3+] ZINC000050581110 132359292 /nfs/dbraw/zinc/35/92/92/132359292.db2.gz WJYCESMNDMAVLF-NSHDSACASA-N 1 0 218.344 2.690 10 10 BFCERO CC(C)[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204418 167422947 /nfs/dbraw/zinc/42/29/47/167422947.db2.gz SAOOEKCYPRLJQN-LLVKDONJSA-N 1 0 204.273 2.529 10 10 BFCERO CC[NH2+]Cc1ccc(N2CCC[C@H]2C)c(F)c1 ZINC000037911783 170127505 /nfs/dbraw/zinc/12/75/05/170127505.db2.gz DQVFISTZSSEYFG-LLVKDONJSA-N 1 0 236.334 2.924 10 10 BFCERO CC[NH2+]Cc1ccc(N2CCCC2)c(C)c1 ZINC000050559691 170127697 /nfs/dbraw/zinc/12/76/97/170127697.db2.gz NVJQWEOAGSBWER-UHFFFAOYSA-N 1 0 218.344 2.705 10 10 BFCERO CC[NH2+][C@H](C)c1ccc(N2CCCC2)cc1 ZINC000034837271 170159535 /nfs/dbraw/zinc/15/95/35/170159535.db2.gz AAQVLGXNSKPPLT-GFCCVEGCSA-N 1 0 218.344 2.957 10 10 BFCERO CC[C@@H]1CCCN1c1ccc(C[NH2+]C)cc1F ZINC000037914685 170984424 /nfs/dbraw/zinc/98/44/24/170984424.db2.gz IZDRGPVVRNREBZ-GFCCVEGCSA-N 1 0 236.334 2.924 10 10 BFCERO CC[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000019882389 171346274 /nfs/dbraw/zinc/34/62/74/171346274.db2.gz XQKQIKKLYMZIDO-IUCAKERBSA-N 1 0 209.289 2.547 10 10 BFCERO C[NH2+]Cc1ccc(N2Cc3ccccc3C2)cc1 ZINC000050911747 173388551 /nfs/dbraw/zinc/38/85/51/173388551.db2.gz UXGIYOZGIWOOFT-UHFFFAOYSA-N 1 0 238.334 2.926 10 10 BFCERO C[NH2+]Cc1ccc(N2CCC[C@H]2C)c(C)c1 ZINC000050560719 173388694 /nfs/dbraw/zinc/38/86/94/173388694.db2.gz JYDMYKRDKRNREY-GFCCVEGCSA-N 1 0 218.344 2.703 10 10 BFCERO C[NH2+][C@@H](C)c1ccc(N(C)C)c(Cl)c1 ZINC000061694493 173419229 /nfs/dbraw/zinc/41/92/29/173419229.db2.gz PPULVPPZMIPJMT-QMMMGPOBSA-N 1 0 212.724 2.686 10 10 BFCERO COc1ccc(N(C)CCCC[NH3+])cc1Cl ZINC000049831167 175136513 /nfs/dbraw/zinc/13/65/13/175136513.db2.gz ACCCCYRGNZFBAY-UHFFFAOYSA-N 1 0 242.750 2.524 10 10 BFCERO C[C@@H]([NH2+]CC(C)(C)C)c1cc(O)ccc1O ZINC000040492549 175864386 /nfs/dbraw/zinc/86/43/86/175864386.db2.gz HYZZNGCTXPMSGJ-SECBINFHSA-N 1 0 223.316 2.795 10 10 BFCERO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(N)cc1 ZINC000032104046 176070428 /nfs/dbraw/zinc/07/04/28/176070428.db2.gz AKPFESZRSKCEND-CYBMUJFWSA-N 1 0 248.370 2.912 10 10 BFCERO C[C@@H]1C[C@@H](C)C[NH+](CCc2ccc(N)cc2)C1 ZINC000011570448 176361777 /nfs/dbraw/zinc/36/17/77/176361777.db2.gz QBDVJALVSMVVTL-CHWSQXEVSA-N 1 0 232.371 2.789 10 10 BFCERO C[C@H]([NH2+]Cc1ccc(N)cc1)C(C)(C)C ZINC000299805280 176874808 /nfs/dbraw/zinc/87/48/08/176874808.db2.gz HBEOFJYRBYXCMN-JTQLQIEISA-N 1 0 206.333 2.793 10 10 BFCERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(O)c1 ZINC000019945131 177089033 /nfs/dbraw/zinc/08/90/33/177089033.db2.gz IZKOCUVSLANPIC-CMPLNLGQSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@H]1C[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000083552405 177349997 /nfs/dbraw/zinc/34/99/97/177349997.db2.gz DWRXAZYIWKAYHN-XVKPBYJWSA-N 1 0 211.692 2.544 10 10 BFCERO C[C@H]1C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000083552408 177385905 /nfs/dbraw/zinc/38/59/05/177385905.db2.gz DWRXAZYIWKAYHN-OIBJUYFYSA-N 1 0 211.692 2.544 10 10 BFCERO CC[NH2+]C1CCN(c2ccc(OCC)cc2)CC1 ZINC000037240338 535453002 /nfs/dbraw/zinc/45/30/02/535453002.db2.gz BOBMRKMLBFDIDN-UHFFFAOYSA-N 1 0 248.370 2.664 10 10 BFCERO COCCc1ccc(O)c([C@H]([NH3+])C(C)(C)C)c1 ZINC000757145250 582527101 /nfs/dbraw/zinc/52/71/01/582527101.db2.gz LCXTVSXVXIBZGJ-ZDUSSCGKSA-N 1 0 237.343 2.627 10 10 BFCERO C[C@H]([NH2+]Cc1ccccc1O)c1cncc(F)c1 ZINC000223051951 583179684 /nfs/dbraw/zinc/17/96/84/583179684.db2.gz FTYHYNMECPQFIQ-JTQLQIEISA-N 1 0 246.285 2.777 10 10 BFCERO Cc1cc([C@@H]([NH3+])C(C)(C)C)c(O)cc1F ZINC000757146438 586429004 /nfs/dbraw/zinc/42/90/04/586429004.db2.gz UOHWPGNAOCNBMS-LLVKDONJSA-N 1 0 211.280 2.886 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c(O)c1 ZINC000248535682 635677975 /nfs/dbraw/zinc/67/79/75/635677975.db2.gz YSNBEKJXEGUTRR-YWPYICTPSA-N 1 0 249.354 2.919 10 10 BFCERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000052274011 632114710 /nfs/dbraw/zinc/11/47/10/632114710.db2.gz REXLUNAFFHMVHO-SUNKGSAMSA-N 1 0 218.344 2.812 10 10 BFCERO COC1CC([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000230675037 636604276 /nfs/dbraw/zinc/60/42/76/636604276.db2.gz ABUUPCSCFXXVSE-UNXYVOJBSA-N 1 0 235.327 2.529 10 10 BFCERO CC[C@H]([NH2+]Cc1ccccc1O)[C@H]1C[C@H]1C ZINC000321955069 636783587 /nfs/dbraw/zinc/78/35/87/636783587.db2.gz XODCXXWORYBHBP-WXHSDQCUSA-N 1 0 219.328 2.916 10 10 BFCERO COCC1CC([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000713986039 712476415 /nfs/dbraw/zinc/47/64/15/712476415.db2.gz RCSPRBAULCBRDC-PNESKVBLSA-N 1 0 249.354 2.776 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037166311 712549779 /nfs/dbraw/zinc/54/97/79/712549779.db2.gz JHVHSMOVCQNNMN-XQQFMLRXSA-N 1 0 249.354 2.655 10 10 BFCERO Cc1cc(N(C)CCC[NH3+])ccc1OC(C)C ZINC000107290885 178098422 /nfs/dbraw/zinc/09/84/22/178098422.db2.gz KHEGVZUHBLWMAI-UHFFFAOYSA-N 1 0 236.359 2.567 10 10 BFCERO CCN(c1cc[nH+]cc1)c1ccc(N)cc1 ZINC000238265951 343253506 /nfs/dbraw/zinc/25/35/06/343253506.db2.gz JMFBVSVPWSVVRJ-UHFFFAOYSA-N 1 0 213.284 2.822 10 10 BFCERO Cc1ccc(C)n1-c1cc(C[NH3+])ccc1C ZINC000050430537 178562279 /nfs/dbraw/zinc/56/22/79/178562279.db2.gz HQSOPFHBXRRWLX-UHFFFAOYSA-N 1 0 214.312 2.861 10 10 BFCERO Cc1cccc(C[NH2+]Cc2ccc(O)cc2)c1O ZINC000083371510 179094290 /nfs/dbraw/zinc/09/42/90/179094290.db2.gz AQDALCLKHAYHGF-UHFFFAOYSA-N 1 0 243.306 2.696 10 10 BFCERO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1C ZINC000052274587 490666730 /nfs/dbraw/zinc/66/67/30/490666730.db2.gz OKDWRBDVPPGTNT-JOYOIKCWSA-N 1 0 205.301 2.502 10 10 BFCERO [N-]=[N+]=N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N=[N+]=[N-] ZINC000021984487 188271368 /nfs/dbraw/zinc/27/13/68/188271368.db2.gz SJTPNWLLDKCASW-PHIMTYICSA-N 1 0 243.274 2.860 10 10 BFCERO CC(C)[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CCCO1 ZINC000035064786 188284588 /nfs/dbraw/zinc/28/45/88/188284588.db2.gz RQCGDUCKVWGUAX-HNNXBMFYSA-N 1 0 248.370 2.658 10 10 BFCERO CC(C)[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCCO1 ZINC000035064789 188285487 /nfs/dbraw/zinc/28/54/87/188285487.db2.gz RQCGDUCKVWGUAX-OAHLLOKOSA-N 1 0 248.370 2.658 10 10 BFCERO C[NH2+]Cc1cccc(-n2c(C)ccc2C)c1 ZINC000041054442 188292553 /nfs/dbraw/zinc/29/25/53/188292553.db2.gz AXEWXRGZHAGDDO-UHFFFAOYSA-N 1 0 214.312 2.814 10 10 BFCERO C[NH2+]Cc1ccccc1-n1c(C)ccc1C ZINC000041054407 188292968 /nfs/dbraw/zinc/29/29/68/188292968.db2.gz QFFDUNJYZSTIBS-UHFFFAOYSA-N 1 0 214.312 2.814 10 10 BFCERO Nc1ccc2c(ccn2CC[NH+]2CCCCC2)c1 ZINC000108253525 368560750 /nfs/dbraw/zinc/56/07/50/368560750.db2.gz RPMOUTPUYLFILB-UHFFFAOYSA-N 1 0 243.354 2.709 10 10 BFCERO CCCN(C)c1ccc(C[NH3+])cc1Cl ZINC000062792861 169088439 /nfs/dbraw/zinc/08/84/39/169088439.db2.gz DYXYXFURENAUQW-UHFFFAOYSA-N 1 0 212.724 2.645 10 10 BFCERO CCCN(C)c1ccc([C@@H](C)[NH3+])cc1F ZINC000037098551 169088663 /nfs/dbraw/zinc/08/86/63/169088663.db2.gz PTNMLBVLVOIRBJ-SECBINFHSA-N 1 0 210.296 2.692 10 10 BFCERO Oc1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000133467861 183300944 /nfs/dbraw/zinc/30/09/44/183300944.db2.gz HDDAXMZVWBMZCO-ZFWWWQNUSA-N 1 0 247.338 2.536 10 10 BFCERO CCC[N@H+](CCc1ccc(N)cc1)CC1CC1 ZINC000036198139 169170123 /nfs/dbraw/zinc/17/01/23/169170123.db2.gz AHFQTCFOYRVFLE-UHFFFAOYSA-N 1 0 232.371 2.933 10 10 BFCERO CCC[NH2+][C@H]1CCN(c2ccc(OC)cc2C)C1 ZINC000061567980 169291708 /nfs/dbraw/zinc/29/17/08/169291708.db2.gz RZWUHUDNTRJSJV-ZDUSSCGKSA-N 1 0 248.370 2.582 10 10 BFCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)c(O)c1 ZINC000103959364 384790150 /nfs/dbraw/zinc/79/01/50/384790150.db2.gz XLYIYKAGLINWEO-VXGBXAGGSA-N 1 0 235.327 2.530 10 10 BFCERO Cc1cc(F)cc([C@@H]([NH3+])CC(C)C)c1O ZINC000575438839 387118692 /nfs/dbraw/zinc/11/86/92/387118692.db2.gz NDCGDHGQGIUTKE-NSHDSACASA-N 1 0 211.280 2.886 10 10 BFCERO CC[NH2+][C@H]1CCN(c2ccc(OC)cc2)C[C@@H]1C ZINC000049693923 132356521 /nfs/dbraw/zinc/35/65/21/132356521.db2.gz OTGSUKSEYKOXJD-WFASDCNBSA-N 1 0 248.370 2.520 10 10 BFCERO C[C@@H]1CCCN(c2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050562856 132359158 /nfs/dbraw/zinc/35/91/58/132359158.db2.gz HLEYAOBYMYAYPS-VXGBXAGGSA-N 1 0 218.344 2.770 10 10 BFCERO Cc1cc(N2CCC[C@@H](C)C2)ccc1C[NH3+] ZINC000050581112 132359331 /nfs/dbraw/zinc/35/93/31/132359331.db2.gz WJYCESMNDMAVLF-LLVKDONJSA-N 1 0 218.344 2.690 10 10 BFCERO CC1(C)CCN(c2ccc(C[NH3+])cc2)CC1 ZINC000061817958 132387227 /nfs/dbraw/zinc/38/72/27/132387227.db2.gz BAVSMEKIDFDPRL-UHFFFAOYSA-N 1 0 218.344 2.772 10 10 BFCERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(OC)cc1 ZINC000083379457 132425782 /nfs/dbraw/zinc/42/57/82/132425782.db2.gz BICRVSRPZHQMEF-QWHCGFSZSA-N 1 0 248.370 2.662 10 10 BFCERO CC(C)CC[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000019911993 166864477 /nfs/dbraw/zinc/86/44/77/166864477.db2.gz AUSZRZSSGYDDDY-JTQLQIEISA-N 1 0 223.316 2.795 10 10 BFCERO CC1([NH2+]Cc2cccc(O)c2O)CCCC1 ZINC000042177116 168064138 /nfs/dbraw/zinc/06/41/38/168064138.db2.gz MHUBYRMWYUTKOP-UHFFFAOYSA-N 1 0 221.300 2.520 10 10 BFCERO CC1([NH2+]Cc2ccc(O)cc2O)CCCC1 ZINC000042176403 168064391 /nfs/dbraw/zinc/06/43/91/168064391.db2.gz CWHJCVQBUXCJLJ-UHFFFAOYSA-N 1 0 221.300 2.520 10 10 BFCERO CCC(=O)c1cc(C(C)(C)C)cc(C[NH3+])c1O ZINC000005818751 168254490 /nfs/dbraw/zinc/25/44/90/168254490.db2.gz PMXICBGNGPDDAW-UHFFFAOYSA-N 1 0 235.327 2.741 10 10 BFCERO CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000019519514 170124483 /nfs/dbraw/zinc/12/44/83/170124483.db2.gz AQHZINFMOJGETE-UHFFFAOYSA-N 1 0 201.269 2.655 10 10 BFCERO CC[C@@](C)(C[NH3+])CN(C)c1ccc(OC)cc1 ZINC000051253167 171166853 /nfs/dbraw/zinc/16/68/53/171166853.db2.gz UEIRGKRVLKGEGZ-AWEZNQCLSA-N 1 0 236.359 2.506 10 10 BFCERO Cn1ccc2c1ccc1c2C[C@@H]([NH+](C)C)CC1 ZINC000027723504 172542056 /nfs/dbraw/zinc/54/20/56/172542056.db2.gz NAXFIQAYQGLLAZ-LBPRGKRZSA-N 1 0 228.339 2.597 10 10 BFCERO C[NH2+]C[C@H]1CCN(c2ccc(OC(C)C)cc2)C1 ZINC000011892330 173382275 /nfs/dbraw/zinc/38/22/75/173382275.db2.gz PRKDGGVAZAQUQI-CYBMUJFWSA-N 1 0 248.370 2.520 10 10 BFCERO C[NH2+]Cc1ccc(N2CCC[C@H]2C)cc1C ZINC000050582736 173389195 /nfs/dbraw/zinc/38/91/95/173389195.db2.gz OTJRBQWLYWUPAZ-GFCCVEGCSA-N 1 0 218.344 2.703 10 10 BFCERO COCC[N@H+](Cc1ccc(N)cc1)[C@@H](C)C1CC1 ZINC000042613977 174299225 /nfs/dbraw/zinc/29/92/25/174299225.db2.gz VAROXXQNDQXBDO-LBPRGKRZSA-N 1 0 248.370 2.516 10 10 BFCERO COc1ccc(C[NH2+]Cc2ccccc2)c(O)c1 ZINC000040905620 175107976 /nfs/dbraw/zinc/10/79/76/175107976.db2.gz YTBBJVGSEWSEPQ-UHFFFAOYSA-N 1 0 243.306 2.691 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N(C)[C@@H]2CCSC2)cc1 ZINC000037175178 175817795 /nfs/dbraw/zinc/81/77/95/175817795.db2.gz TXCZCLSBFDRLNM-ZWNOBZJWSA-N 1 0 236.384 2.648 10 10 BFCERO C[C@@H]1CCC[N@H+](CCCOc2ccc(N)cc2)C1 ZINC000032104050 176098652 /nfs/dbraw/zinc/09/86/52/176098652.db2.gz PCNDYFSRKBIZIT-CYBMUJFWSA-N 1 0 248.370 2.770 10 10 BFCERO C[C@@H]1CCCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000110921713 176103106 /nfs/dbraw/zinc/10/31/06/176103106.db2.gz VUPBXJBKFIIRTG-LLVKDONJSA-N 1 0 236.334 2.911 10 10 BFCERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1O ZINC000041116399 177083399 /nfs/dbraw/zinc/08/33/99/177083399.db2.gz DCMINFRCJKWJJU-JQWIXIFHSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC000282308218 177363320 /nfs/dbraw/zinc/36/33/20/177363320.db2.gz SGBICKWOHJWYQG-CLLJXQQHSA-N 1 0 249.354 2.685 10 10 BFCERO C[NH2+][C@@H]1CCN(c2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000049713987 536378303 /nfs/dbraw/zinc/37/83/03/536378303.db2.gz VKXXNVJYQKPTCE-QWHCGFSZSA-N 1 0 248.370 2.580 10 10 BFCERO C[C@@H]([NH2+]Cc1ccccc1O)c1cncc(F)c1 ZINC000223051882 583179670 /nfs/dbraw/zinc/17/96/70/583179670.db2.gz FTYHYNMECPQFIQ-SNVBAGLBSA-N 1 0 246.285 2.777 10 10 BFCERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1O ZINC000217640469 592148424 /nfs/dbraw/zinc/14/84/24/592148424.db2.gz RSWNZVBIXJSRSP-SCRDCRAPSA-N 1 0 249.354 2.736 10 10 BFCERO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1C[C@H]1C ZINC000322068449 636793633 /nfs/dbraw/zinc/79/36/33/636793633.db2.gz SCFIAYOKWWRGIP-SCVCMEIPSA-N 1 0 205.301 2.526 10 10 BFCERO CC(C)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700903776 712010007 /nfs/dbraw/zinc/01/00/07/712010007.db2.gz GFUWWONJAJIIIQ-LBPRGKRZSA-N 1 0 232.371 2.942 10 10 BFCERO COCC1CC([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000713986037 712476561 /nfs/dbraw/zinc/47/65/61/712476561.db2.gz RCSPRBAULCBRDC-HIFPTAJRSA-N 1 0 249.354 2.776 10 10 BFCERO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)c(O)c1 ZINC000038095887 712807855 /nfs/dbraw/zinc/80/78/55/712807855.db2.gz XJDALQCGBLXXNU-STQMWFEESA-N 1 0 249.354 2.920 10 10 BFCERO CCOc1cccc([C@@H]2CCCC[NH2+]2)c1O ZINC000309171204 342902978 /nfs/dbraw/zinc/90/29/78/342902978.db2.gz PAHKRWDTLNYQIG-NSHDSACASA-N 1 0 221.300 2.606 10 10 BFCERO [NH3+]Cc1ccc(Sc2nccs2)cc1 ZINC000040677110 187264185 /nfs/dbraw/zinc/26/41/85/187264185.db2.gz XXPCDDYIQMPQIU-UHFFFAOYSA-N 1 0 222.338 2.753 10 10 BFCERO CCOC[C@@H]1CCCN(c2ccc(N)cc2)C1 ZINC000409434078 343831121 /nfs/dbraw/zinc/83/11/21/343831121.db2.gz ZPRZEVSAQQSJDJ-GFCCVEGCSA-N 1 0 234.343 2.522 10 10 BFCERO CC[C@@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000042584803 344459193 /nfs/dbraw/zinc/45/91/93/344459193.db2.gz CLEKWYCRMAKIJH-GFCCVEGCSA-N 1 0 207.317 2.916 10 10 BFCERO C[C@@H](c1cc(Br)ccc1O)[NH+](C)C ZINC000132502785 345333042 /nfs/dbraw/zinc/33/30/42/345333042.db2.gz ZSHUSBPPNXNEOX-ZETCQYMHSA-N 1 0 244.132 2.777 10 10 BFCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCOC[C@H](C)C1 ZINC000377550563 346650853 /nfs/dbraw/zinc/65/08/53/346650853.db2.gz PMVNFTGYVDCZQU-OCCSQVGLSA-N 1 0 249.354 2.812 10 10 BFCERO CCCCCN(C)c1ccc(C[NH3+])cc1 ZINC000034653746 168687426 /nfs/dbraw/zinc/68/74/26/168687426.db2.gz DTJOBTFEDHJFGC-UHFFFAOYSA-N 1 0 206.333 2.772 10 10 BFCERO CN(c1ccc(C[NH3+])cc1)C1CCCC1 ZINC000037083779 188279127 /nfs/dbraw/zinc/27/91/27/188279127.db2.gz YIQUQIACIZZQPW-UHFFFAOYSA-N 1 0 204.317 2.524 10 10 BFCERO Cc1cc(C[NH3+])ccc1N(C)C1CCCC1 ZINC000037733194 188288488 /nfs/dbraw/zinc/28/84/88/188288488.db2.gz JVZDSUPOSSNBAK-UHFFFAOYSA-N 1 0 218.344 2.833 10 10 BFCERO Cc1cc(C[NH3+])ccc1N(C)Cc1cscn1 ZINC000042829157 188294407 /nfs/dbraw/zinc/29/44/07/188294407.db2.gz JUZVQUKPBXJYPE-UHFFFAOYSA-N 1 0 247.367 2.547 10 10 BFCERO Cc1cc(C[NH3+])ccc1N(C)CC1CCC1 ZINC000061453038 188302632 /nfs/dbraw/zinc/30/26/32/188302632.db2.gz APRCJQVHFJKIBJ-UHFFFAOYSA-N 1 0 218.344 2.690 10 10 BFCERO C[C@@H]1C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000083552407 491126501 /nfs/dbraw/zinc/12/65/01/491126501.db2.gz DWRXAZYIWKAYHN-GMSGAONNSA-N 1 0 211.692 2.544 10 10 BFCERO Oc1ccccc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070164 359039971 /nfs/dbraw/zinc/03/99/71/359039971.db2.gz XIINJBSAFOIJOU-ZDUSSCGKSA-N 1 0 241.290 2.616 10 10 BFCERO Nc1ccc(OCC[NH2+]C2CCCCC2)cc1 ZINC000041264161 181721085 /nfs/dbraw/zinc/72/10/85/181721085.db2.gz IVQHNNLGQRTYPI-UHFFFAOYSA-N 1 0 234.343 2.570 10 10 BFCERO C[C@H](c1cc(Br)ccc1O)[NH+](C)C ZINC000132502994 371840999 /nfs/dbraw/zinc/84/09/99/371840999.db2.gz ZSHUSBPPNXNEOX-SSDOTTSWSA-N 1 0 244.132 2.777 10 10 BFCERO Oc1ccc(Br)cc1[C@@H]1CCC[NH2+]1 ZINC000072202748 183267648 /nfs/dbraw/zinc/26/76/48/183267648.db2.gz UUSBTLBYOFJTKA-VIFPVBQESA-N 1 0 242.116 2.579 10 10 BFCERO Oc1ccc(C(F)(F)F)cc1[C@@H]1CCC[NH2+]1 ZINC000072202478 183267750 /nfs/dbraw/zinc/26/77/50/183267750.db2.gz XROCAHQUWMFVBZ-VIFPVBQESA-N 1 0 231.217 2.836 10 10 BFCERO Oc1ccc(C[NH2+]Cc2ccc(F)cc2)c(O)c1 ZINC000019943538 183270879 /nfs/dbraw/zinc/27/08/79/183270879.db2.gz YQIFTBHODPGAMN-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO CCC[NH2+][C@H]1CCN(c2ccc(OC)c(C)c2)C1 ZINC000049530924 169291897 /nfs/dbraw/zinc/29/18/97/169291897.db2.gz LRKAZMLXOTXFMT-ZDUSSCGKSA-N 1 0 248.370 2.582 10 10 BFCERO CCC[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000019902923 169371365 /nfs/dbraw/zinc/37/13/65/169371365.db2.gz RKKCXSVTNLABKD-NXEZZACHSA-N 1 0 223.316 2.937 10 10 BFCERO CC[NH2+]C1CCN(c2ccc(OC)c(C)c2)CC1 ZINC000049530917 535452907 /nfs/dbraw/zinc/45/29/07/535452907.db2.gz ZZFVMNOXVZYSJL-UHFFFAOYSA-N 1 0 248.370 2.582 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)c(O)c1 ZINC000103959377 384791361 /nfs/dbraw/zinc/79/13/61/384791361.db2.gz XLYIYKAGLINWEO-RYUDHWBXSA-N 1 0 235.327 2.530 10 10 BFCERO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@@H](C)C1 ZINC000377550561 385120277 /nfs/dbraw/zinc/12/02/77/385120277.db2.gz PMVNFTGYVDCZQU-GXTWGEPZSA-N 1 0 249.354 2.812 10 10 BFCERO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]2C)c1O ZINC000130779055 385285830 /nfs/dbraw/zinc/28/58/30/385285830.db2.gz YBZZJCAISNNKOB-XVKPBYJWSA-N 1 0 241.718 2.552 10 10 BFCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccccc1O ZINC000187283336 387188049 /nfs/dbraw/zinc/18/80/49/387188049.db2.gz NWWHRGQOGUVWMC-XTWPYSKKSA-N 1 0 247.338 2.610 10 10 BFCERO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H]1CCCO1 ZINC000295794899 388414711 /nfs/dbraw/zinc/41/47/11/388414711.db2.gz BUNBXFQHOVXTSM-JKOKRWQUSA-N 1 0 247.338 2.537 10 10 BFCERO CC1CCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000011757278 132320567 /nfs/dbraw/zinc/32/05/67/132320567.db2.gz IMTHQQUQASHAHW-UHFFFAOYSA-N 1 0 222.307 2.521 10 10 BFCERO C[C@@H]1C[C@H](C)CN(c2ccc(C[NH3+])cc2)C1 ZINC000019865436 132327818 /nfs/dbraw/zinc/32/78/18/132327818.db2.gz ASGWDXMCOCCQKC-TXEJJXNPSA-N 1 0 218.344 2.628 10 10 BFCERO C[C@H]1C[C@H](C)CN(c2ccc(C[NH3+])cc2)C1 ZINC000019865441 132327822 /nfs/dbraw/zinc/32/78/22/132327822.db2.gz ASGWDXMCOCCQKC-RYUDHWBXSA-N 1 0 218.344 2.628 10 10 BFCERO CC[C@@H]1CCCN(c2ccc(C[NH3+])cc2F)C1 ZINC000036170201 132340339 /nfs/dbraw/zinc/34/03/39/132340339.db2.gz CTPUUNABQAUAJU-LLVKDONJSA-N 1 0 236.334 2.911 10 10 BFCERO CC[NH2+][C@H]1CCN(c2ccc(OC)cc2)[C@H](C)C1 ZINC000049693937 132356549 /nfs/dbraw/zinc/35/65/49/132356549.db2.gz REWALGJCESTKAV-OLZOCXBDSA-N 1 0 248.370 2.662 10 10 BFCERO CC(C)Oc1ccc(N2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049661819 167295891 /nfs/dbraw/zinc/29/58/91/167295891.db2.gz MPJBNOFKGKKFGD-CYBMUJFWSA-N 1 0 248.370 2.520 10 10 BFCERO CC1=CC[N@H+](CCCOc2ccc(N)cc2)CC1 ZINC000075423287 168109502 /nfs/dbraw/zinc/10/95/02/168109502.db2.gz FBOMUSNLCWDVAM-UHFFFAOYSA-N 1 0 246.354 2.690 10 10 BFCERO CC[NH2+][C@@H](C)c1ccc(N(C)C)c(F)c1 ZINC000034840545 170142225 /nfs/dbraw/zinc/14/22/25/170142225.db2.gz NDKXXWLGPLWRHO-VIFPVBQESA-N 1 0 210.296 2.562 10 10 BFCERO CCn1cccc1C[NH2+]Cc1ccccc1O ZINC000228409195 172207227 /nfs/dbraw/zinc/20/72/27/172207227.db2.gz ZLOZJFMMVXYCOP-UHFFFAOYSA-N 1 0 230.311 2.503 10 10 BFCERO CN(C)c1ccc([C@@H]([NH3+])c2cccc(F)c2)cc1 ZINC000041654676 172558522 /nfs/dbraw/zinc/55/85/22/172558522.db2.gz ACVDDEFVWYWRKF-OAHLLOKOSA-N 1 0 244.313 2.940 10 10 BFCERO CN(C)c1ccc([C@H]([NH3+])Cc2ccccc2)cc1 ZINC000011571018 172559849 /nfs/dbraw/zinc/55/98/49/172559849.db2.gz ZUJLJEUUNKKRDC-MRXNPFEDSA-N 1 0 240.350 2.995 10 10 BFCERO COc1ccc(C[NH2+]C2CCCCC2)c(O)c1 ZINC000040905594 175106184 /nfs/dbraw/zinc/10/61/84/175106184.db2.gz FSGRRFMJFYQHGX-UHFFFAOYSA-N 1 0 235.327 2.823 10 10 BFCERO COc1ccc(N(C)CCC[NH3+])cc1C(C)C ZINC000107290864 175136089 /nfs/dbraw/zinc/13/60/89/175136089.db2.gz WFBXPWFXUXUVBJ-UHFFFAOYSA-N 1 0 236.359 2.604 10 10 BFCERO COc1ccc([C@@H](C)[NH2+]Cc2ccco2)c(O)c1 ZINC000020084118 175177430 /nfs/dbraw/zinc/17/74/30/175177430.db2.gz GYWDEEIBYLKJKL-SNVBAGLBSA-N 1 0 247.294 2.845 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N(C)CC2CC2)c(F)c1 ZINC000037925660 175817090 /nfs/dbraw/zinc/81/70/90/175817090.db2.gz RARDINIVUSEARG-SECBINFHSA-N 1 0 222.307 2.692 10 10 BFCERO C[C@@H]([NH2+]Cc1ccc(O)cc1O)c1ccccc1 ZINC000019878160 175897930 /nfs/dbraw/zinc/89/79/30/175897930.db2.gz DCMLQNPJWGYSTJ-LLVKDONJSA-N 1 0 243.306 2.949 10 10 BFCERO C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)[C@H](C)C1 ZINC000051728791 176175965 /nfs/dbraw/zinc/17/59/65/176175965.db2.gz ZERJUTIKSIAKGR-VXGBXAGGSA-N 1 0 218.344 2.889 10 10 BFCERO C[C@@H]1CCN(c2ccc(C[NH3+])cc2Cl)C1 ZINC000062792976 176181648 /nfs/dbraw/zinc/18/16/48/176181648.db2.gz TYPPDTIKCBAWGF-SECBINFHSA-N 1 0 224.735 2.645 10 10 BFCERO C[C@H]([NH3+])c1ccc(N(C)CC2CC2)c(F)c1 ZINC000037925659 176776851 /nfs/dbraw/zinc/77/68/51/176776851.db2.gz RARDINIVUSEARG-VIFPVBQESA-N 1 0 222.307 2.692 10 10 BFCERO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1O ZINC000041116403 177088712 /nfs/dbraw/zinc/08/87/12/177088712.db2.gz DCMINFRCJKWJJU-CMPLNLGQSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@H]1CCC[N@@H+]1CCCOc1ccc(N)cc1 ZINC000037909952 177108841 /nfs/dbraw/zinc/10/88/41/177108841.db2.gz FBHYLOHAZWGJIM-LBPRGKRZSA-N 1 0 234.343 2.522 10 10 BFCERO C[C@H]1CCCN1c1ccc(C[NH2+]C2CC2)cc1 ZINC000037911771 177111386 /nfs/dbraw/zinc/11/13/86/177111386.db2.gz XTSDEJHICLKDGQ-LBPRGKRZSA-N 1 0 230.355 2.927 10 10 BFCERO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000071206821 177142537 /nfs/dbraw/zinc/14/25/37/177142537.db2.gz FBEPACYHYQSCMX-SWLSCSKDSA-N 1 0 244.382 2.957 10 10 BFCERO COCCc1ccc(O)c([C@H]([NH3+])CC(C)C)c1 ZINC000757131636 586426442 /nfs/dbraw/zinc/42/64/42/586426442.db2.gz BVFGBMMAKRHIKO-CYBMUJFWSA-N 1 0 237.343 2.627 10 10 BFCERO Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000310845402 633010233 /nfs/dbraw/zinc/01/02/33/633010233.db2.gz LIVPRMQXJYUTHC-QWHCGFSZSA-N 1 0 247.338 2.538 10 10 BFCERO CC(C)[C@@H]([NH3+])c1cc(Br)ccc1O ZINC000084554255 636047487 /nfs/dbraw/zinc/04/74/87/636047487.db2.gz RWZAIJHVWWDROR-SNVBAGLBSA-N 1 0 244.132 2.811 10 10 BFCERO CC[C@H]([NH3+])c1cc(Br)cc(C)c1O ZINC000095706879 636052852 /nfs/dbraw/zinc/05/28/52/636052852.db2.gz BVWSHECRJQESQH-VIFPVBQESA-N 1 0 244.132 2.873 10 10 BFCERO CCCc1ccc(O)c([C@H]([NH3+])C2CC2)c1 ZINC000095782527 644774496 /nfs/dbraw/zinc/77/44/96/644774496.db2.gz QUECFAKAMODAEX-CYBMUJFWSA-N 1 0 205.301 2.755 10 10 BFCERO Cc1cc(C)c(O)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000125094291 711717261 /nfs/dbraw/zinc/71/72/61/711717261.db2.gz ZUMIQWLWINMRLL-STQMWFEESA-N 1 0 249.354 2.618 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037166313 712549591 /nfs/dbraw/zinc/54/95/91/712549591.db2.gz JHVHSMOVCQNNMN-AVGNSLFASA-N 1 0 249.354 2.655 10 10 BFCERO Cc1cc(O)c([C@H]2CCC[NH2+]2)cc1Cl ZINC000072202032 178196463 /nfs/dbraw/zinc/19/64/63/178196463.db2.gz ISVRUCASVKJBEA-SNVBAGLBSA-N 1 0 211.692 2.779 10 10 BFCERO Cc1cc(O)c([C@@H]2CCC[NH2+]2)cc1Cl ZINC000072202031 178196919 /nfs/dbraw/zinc/19/69/19/178196919.db2.gz ISVRUCASVKJBEA-JTQLQIEISA-N 1 0 211.692 2.779 10 10 BFCERO Cn1ccc2c1cccc2[C@@H]1CCC[NH2+]C1 ZINC000033885036 343262593 /nfs/dbraw/zinc/26/25/93/343262593.db2.gz WHZJBEMBTDOZNO-LLVKDONJSA-N 1 0 214.312 2.645 10 10 BFCERO CC(C)COc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000043461569 187266871 /nfs/dbraw/zinc/26/68/71/187266871.db2.gz VWVOBRVGSGSDFZ-UHFFFAOYSA-N 1 0 248.370 2.521 10 10 BFCERO CCOc1cccc([C@H]2CCCC[NH2+]2)c1O ZINC000309504877 343643733 /nfs/dbraw/zinc/64/37/33/343643733.db2.gz PAHKRWDTLNYQIG-LLVKDONJSA-N 1 0 221.300 2.606 10 10 BFCERO C[C@H]([NH3+])c1ccc(N(C)C)cc1Br ZINC000235488428 344924001 /nfs/dbraw/zinc/92/40/01/344924001.db2.gz CMAQHVHEUGHRDX-ZETCQYMHSA-N 1 0 243.148 2.535 10 10 BFCERO [NH3+][C@H]1CCc2cc(N3CCCCC3)c(F)cc21 ZINC000117338903 345771979 /nfs/dbraw/zinc/77/19/79/345771979.db2.gz YYOXLSJJJPWWSK-ZDUSSCGKSA-N 1 0 234.318 2.762 10 10 BFCERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000020523074 187936469 /nfs/dbraw/zinc/93/64/69/187936469.db2.gz UZAJQTYXNLNOIP-UWVGGRQHSA-N 1 0 223.316 2.793 10 10 BFCERO CCN(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061694707 188302680 /nfs/dbraw/zinc/30/26/80/188302680.db2.gz MKNRFFQWANOBDD-MRVPVSSYSA-N 1 0 212.724 2.816 10 10 BFCERO CSc1ccc(O)c([C@H]2CCC[NH2+]2)c1 ZINC000072201994 188307148 /nfs/dbraw/zinc/30/71/48/188307148.db2.gz OPOSAVIKAUXUHX-SNVBAGLBSA-N 1 0 209.314 2.539 10 10 BFCERO CC(C)N(C)c1ccc([C@@H](C)[NH3+])cc1F ZINC000019872422 188351062 /nfs/dbraw/zinc/35/10/62/188351062.db2.gz SDJIRWNCEUIHQD-SECBINFHSA-N 1 0 210.296 2.690 10 10 BFCERO C[NH2+][C@@H](C)c1ccc(N(C)C)cc1Cl ZINC000070602681 361588625 /nfs/dbraw/zinc/58/86/25/361588625.db2.gz XZBUJXDWLYTSBL-QMMMGPOBSA-N 1 0 212.724 2.686 10 10 BFCERO [NH3+]Cc1ccc(N2CCCCCC2)c(F)c1 ZINC000011757293 181483747 /nfs/dbraw/zinc/48/37/47/181483747.db2.gz HVONZLGXBYVLQT-UHFFFAOYSA-N 1 0 222.307 2.665 10 10 BFCERO CCCN(CCC)c1ccc(C[NH3+])cc1 ZINC000019865398 169152915 /nfs/dbraw/zinc/15/29/15/169152915.db2.gz ATJYSHWKZNVIJC-UHFFFAOYSA-N 1 0 206.333 2.772 10 10 BFCERO CCCN([C@@H](C)c1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314572 169182021 /nfs/dbraw/zinc/18/20/21/169182021.db2.gz OIMWGUKMLHYNLB-QWHCGFSZSA-N 1 0 248.370 2.527 10 10 BFCERO CCCOc1ccc(N2CC[C@H]([NH2+]CC)C2)cc1 ZINC000051786224 169319325 /nfs/dbraw/zinc/31/93/25/169319325.db2.gz GRPVVLOFNALFND-ZDUSSCGKSA-N 1 0 248.370 2.664 10 10 BFCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)c(O)c1 ZINC000103959371 384790289 /nfs/dbraw/zinc/79/02/89/384790289.db2.gz XLYIYKAGLINWEO-NEPJUHHUSA-N 1 0 235.327 2.530 10 10 BFCERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1O ZINC000183523270 385768310 /nfs/dbraw/zinc/76/83/10/385768310.db2.gz KNVBCHOZRSZFLE-SCRDCRAPSA-N 1 0 249.354 2.594 10 10 BFCERO CC(C)(C)Oc1ccc(O)c([C@@H]([NH3+])CF)c1 ZINC000575192079 386978735 /nfs/dbraw/zinc/97/87/35/386978735.db2.gz SAKKBNYQXGJSQJ-JTQLQIEISA-N 1 0 227.279 2.539 10 10 BFCERO Cc1cc(Cl)cc([C@@H]([NH3+])CCF)c1O ZINC000575440001 387128148 /nfs/dbraw/zinc/12/81/48/387128148.db2.gz YVMSDFYJQUJBIS-VIFPVBQESA-N 1 0 217.671 2.713 10 10 BFCERO CC[C@H]([NH3+])c1cc(C(F)(F)F)ccc1O ZINC000071445272 388093292 /nfs/dbraw/zinc/09/32/92/388093292.db2.gz PPURKQUFLVPWEL-QMMMGPOBSA-N 1 0 219.206 2.821 10 10 BFCERO C[NH2+]Cc1ccc(N2CCCCC2)c(F)c1 ZINC000034824122 132337008 /nfs/dbraw/zinc/33/70/08/132337008.db2.gz ODZQWQFAKNOJPH-UHFFFAOYSA-N 1 0 222.307 2.535 10 10 BFCERO CCCCCOc1ccc(N2CC[NH2+]CC2)cc1 ZINC000035650785 132338856 /nfs/dbraw/zinc/33/88/56/132338856.db2.gz ROBOHWXORDCYLA-UHFFFAOYSA-N 1 0 248.370 2.665 10 10 BFCERO Cc1cc(C[NH3+])ccc1N1CCC[C@H](C)C1 ZINC000037733135 132345285 /nfs/dbraw/zinc/34/52/85/132345285.db2.gz XTKARYAYLGMYOY-NSHDSACASA-N 1 0 218.344 2.690 10 10 BFCERO Cc1cc(C[NH3+])ccc1N1C[C@H](C)C[C@H](C)C1 ZINC000037733156 132345341 /nfs/dbraw/zinc/34/53/41/132345341.db2.gz ZANAXYXFSYZHBW-TXEJJXNPSA-N 1 0 232.371 2.936 10 10 BFCERO Cc1cc(C[NH3+])ccc1N1C[C@@H](C)C[C@H](C)C1 ZINC000037733157 132345428 /nfs/dbraw/zinc/34/54/28/132345428.db2.gz ZANAXYXFSYZHBW-RYUDHWBXSA-N 1 0 232.371 2.936 10 10 BFCERO CC[C@@H]1CO[C@H](C)CN1c1ccc([C@@H](C)[NH3+])cc1 ZINC000042450914 132352322 /nfs/dbraw/zinc/35/23/22/132352322.db2.gz FJQCNRRDENOIJX-YRGRVCCFSA-N 1 0 248.370 2.710 10 10 BFCERO Cc1cc(N2CCC(C)CC2)ccc1C[NH3+] ZINC000050580909 132359221 /nfs/dbraw/zinc/35/92/21/132359221.db2.gz LPMDWBAQIVPLDG-UHFFFAOYSA-N 1 0 218.344 2.690 10 10 BFCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccccc1O ZINC000251857043 135078705 /nfs/dbraw/zinc/07/87/05/135078705.db2.gz NWWHRGQOGUVWMC-ZGFBFQLVSA-N 1 0 247.338 2.610 10 10 BFCERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000020523073 167383993 /nfs/dbraw/zinc/38/39/93/167383993.db2.gz UZAJQTYXNLNOIP-ZJUUUORDSA-N 1 0 223.316 2.793 10 10 BFCERO CC[NH2+]Cc1ccc(N(C)C[C@@H]2C[C@@H]2C)cc1 ZINC000104426903 170126530 /nfs/dbraw/zinc/12/65/30/170126530.db2.gz KCAZZUCIJPFDLO-JSGCOSHPSA-N 1 0 232.371 2.888 10 10 BFCERO CC[NH2+]Cc1ccc(N2CC[C@@H](C)C2)c(C)c1 ZINC000050560867 170127264 /nfs/dbraw/zinc/12/72/64/170127264.db2.gz JWFCAWVCSRYHQB-GFCCVEGCSA-N 1 0 232.371 2.951 10 10 BFCERO CC[NH2+]Cc1ccc(N2CC[C@@H](C)C2)cc1 ZINC000040719241 170127364 /nfs/dbraw/zinc/12/73/64/170127364.db2.gz QXOGFEPOPBQLLT-GFCCVEGCSA-N 1 0 218.344 2.642 10 10 BFCERO CC[C@@H]1CCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000037913109 170981328 /nfs/dbraw/zinc/98/13/28/170981328.db2.gz PDYLQSSVUBVHIX-CYBMUJFWSA-N 1 0 234.343 2.522 10 10 BFCERO C[NH2+]Cc1cc(F)c(N2CC[C@@H](C)C2)c(F)c1 ZINC000062711606 173387120 /nfs/dbraw/zinc/38/71/20/173387120.db2.gz ZNRJQAUUSOCUDA-SECBINFHSA-N 1 0 240.297 2.530 10 10 BFCERO C[NH2+]Cc1ccc(N2CC[C@@H](C)C2)cc1C ZINC000050582906 173389074 /nfs/dbraw/zinc/38/90/74/173389074.db2.gz WHIDMAPKIXJURO-LLVKDONJSA-N 1 0 218.344 2.561 10 10 BFCERO C[NH2+]Cc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000040999827 173393559 /nfs/dbraw/zinc/39/35/59/173393559.db2.gz LXVOPGQMVVFFTO-UHFFFAOYSA-N 1 0 247.367 2.596 10 10 BFCERO C[NH2+][C@@H](C)c1ccc(N2CCCC2)cc1 ZINC000034837274 173418627 /nfs/dbraw/zinc/41/86/27/173418627.db2.gz LJMSOXKQNCWKTE-NSHDSACASA-N 1 0 204.317 2.567 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N2CCC[C@H]2C)cc1 ZINC000037911136 173448468 /nfs/dbraw/zinc/44/84/68/173448468.db2.gz CEFKVVQJQQHTJN-VXGBXAGGSA-N 1 0 218.344 2.956 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N(C)CC2CC2)c(F)c1 ZINC000037925668 173448491 /nfs/dbraw/zinc/44/84/91/173448491.db2.gz QMDDUJDFEQAGFZ-SNVBAGLBSA-N 1 0 236.334 2.952 10 10 BFCERO COc1ccc([C@H](C)[NH2+]Cc2ccco2)c(O)c1 ZINC000020084121 175189770 /nfs/dbraw/zinc/18/97/70/175189770.db2.gz GYWDEEIBYLKJKL-JTQLQIEISA-N 1 0 247.294 2.845 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccccn2)cc1 ZINC000036777669 175816964 /nfs/dbraw/zinc/81/69/64/175816964.db2.gz HZLHIFWEDJZEKE-GFCCVEGCSA-N 1 0 241.338 2.738 10 10 BFCERO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(N)ccc1O ZINC000042601661 176086274 /nfs/dbraw/zinc/08/62/74/176086274.db2.gz AJBZQPXKRCRLQT-BXUZGUMPSA-N 1 0 248.370 2.985 10 10 BFCERO C[C@H]([NH3+])c1ccc(N(C)C)c(Br)c1 ZINC000061694501 176776813 /nfs/dbraw/zinc/77/68/13/176776813.db2.gz RQNZNUPPOXJJQG-ZETCQYMHSA-N 1 0 243.148 2.535 10 10 BFCERO C[C@H]([NH3+])c1ccc(N2CCCSCC2)cc1 ZINC000042444082 176776826 /nfs/dbraw/zinc/77/68/26/176776826.db2.gz NRFCQNZNCVTSGK-NSHDSACASA-N 1 0 236.384 2.650 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H]2C)c(F)c1 ZINC000037911117 177112124 /nfs/dbraw/zinc/11/21/24/177112124.db2.gz ZKWNJPROFDLGQD-VHSXEESVSA-N 1 0 222.307 2.834 10 10 BFCERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(N)ccc1O ZINC000037272657 177132613 /nfs/dbraw/zinc/13/26/13/177132613.db2.gz XVUIYLZBXYZCSG-QWRGUYRKSA-N 1 0 234.343 2.737 10 10 BFCERO CC(C)(C)[NH2+]Cc1c(O)cccc1Cl ZINC000083551748 491126522 /nfs/dbraw/zinc/12/65/22/491126522.db2.gz GYNKFWMIJBMUIM-UHFFFAOYSA-N 1 0 213.708 2.934 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N2CCC(OC)CC2)cc1 ZINC000037266434 536406726 /nfs/dbraw/zinc/40/67/26/536406726.db2.gz HJUYXRVXXCZBOP-GFCCVEGCSA-N 1 0 248.370 2.582 10 10 BFCERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000052274013 632114349 /nfs/dbraw/zinc/11/43/49/632114349.db2.gz REXLUNAFFHMVHO-MJVIPROJSA-N 1 0 218.344 2.812 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c(O)c1 ZINC000052271974 632822509 /nfs/dbraw/zinc/82/25/09/632822509.db2.gz JWEHRDPNRSPEHB-NHCYSSNCSA-N 1 0 205.301 2.760 10 10 BFCERO [NH3+][C@@H](c1cc(Br)ccc1O)C1CC1 ZINC000095659918 636053350 /nfs/dbraw/zinc/05/33/50/636053350.db2.gz OKLNVTWPBWCUGX-SNVBAGLBSA-N 1 0 242.116 2.565 10 10 BFCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000224878314 640645823 /nfs/dbraw/zinc/64/58/23/640645823.db2.gz OVTBPUBSJDIZPO-ZWNOBZJWSA-N 1 0 235.327 2.679 10 10 BFCERO COC1CC([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000230673183 641080287 /nfs/dbraw/zinc/08/02/87/641080287.db2.gz GCRXYZPDPCZNIU-VOMCLLRMSA-N 1 0 235.327 2.529 10 10 BFCERO COc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1C ZINC000037988850 712796184 /nfs/dbraw/zinc/79/61/84/712796184.db2.gz CMDPAYBCDMRFCC-AWEZNQCLSA-N 1 0 249.354 2.662 10 10 BFCERO CN(c1ccc(N)cc1)C1CCSCC1 ZINC000212537121 343792017 /nfs/dbraw/zinc/79/20/17/343792017.db2.gz XONJGFVFVQDDIZ-UHFFFAOYSA-N 1 0 222.357 2.601 10 10 BFCERO CC[C@H]([NH2+]C)c1cc(Br)ccc1O ZINC000022211118 343928620 /nfs/dbraw/zinc/92/86/20/343928620.db2.gz VTXJYQIFHMFJFI-VIFPVBQESA-N 1 0 244.132 2.825 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000052273047 178804492 /nfs/dbraw/zinc/80/44/92/178804492.db2.gz ZVWYNTPCMRXARP-NHCYSSNCSA-N 1 0 205.301 2.760 10 10 BFCERO Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12 ZINC000006117603 188277207 /nfs/dbraw/zinc/27/72/07/188277207.db2.gz IOQZSOCPFYNJIG-UHFFFAOYSA-N 1 0 239.234 2.878 10 10 BFCERO CC[C@@H](c1ccccc1O)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211637286 357189782 /nfs/dbraw/zinc/18/97/82/357189782.db2.gz HIWBLMCFHPJBIE-SCRDCRAPSA-N 1 0 247.338 2.707 10 10 BFCERO [NH3+]Cc1ccc(CC2CCCCC2)cc1O ZINC000095724620 181481775 /nfs/dbraw/zinc/48/17/75/181481775.db2.gz PRJHCQAQTXJWKI-UHFFFAOYSA-N 1 0 219.328 2.974 10 10 BFCERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1nccs1 ZINC000040677126 373594414 /nfs/dbraw/zinc/59/44/14/373594414.db2.gz URAONHNFJLWYQU-BDAKNGLRSA-N 1 0 228.386 2.753 10 10 BFCERO Oc1ccc(C[NH2+]Cc2cccc(F)c2)c(O)c1 ZINC000020473433 183270937 /nfs/dbraw/zinc/27/09/37/183270937.db2.gz MNQYUIWWPYESEI-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO Oc1cc(Br)ccc1[C@@H]1CCC[NH2+]1 ZINC000072202746 183256877 /nfs/dbraw/zinc/25/68/77/183256877.db2.gz FCKNXPOYFLEVJX-VIFPVBQESA-N 1 0 242.116 2.579 10 10 BFCERO Oc1cccc(C[NH2+]Cc2ccccc2F)c1O ZINC000041116411 183291348 /nfs/dbraw/zinc/29/13/48/183291348.db2.gz DFLRJYQGVPZXQO-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO CCCN(CC[NH3+])c1ccc(OC)c(Cl)c1 ZINC000076625322 169158132 /nfs/dbraw/zinc/15/81/32/169158132.db2.gz OLIRUSLLZAZRMR-UHFFFAOYSA-N 1 0 242.750 2.524 10 10 BFCERO CCC[N@@H+]1CCC[C@@H](c2ccc(O)c(O)c2)C1 ZINC000005833832 169195194 /nfs/dbraw/zinc/19/51/94/169195194.db2.gz JBPMHBLMULBWFU-GFCCVEGCSA-N 1 0 235.327 2.687 10 10 BFCERO CCC[NH2+]Cc1ccc(OCC)c(C)c1 ZINC000071510783 169266363 /nfs/dbraw/zinc/26/63/63/169266363.db2.gz GKVNMHXUYVJNSL-UHFFFAOYSA-N 1 0 207.317 2.893 10 10 BFCERO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000019902921 169370650 /nfs/dbraw/zinc/37/06/50/169370650.db2.gz RKKCXSVTNLABKD-ZJUUUORDSA-N 1 0 223.316 2.937 10 10 BFCERO c1csc(SCC[C@@H]2CCC[NH2+]C2)n1 ZINC000051920511 183521958 /nfs/dbraw/zinc/52/19/58/183521958.db2.gz VWANUPNTMUAEMC-VIFPVBQESA-N 1 0 228.386 2.625 10 10 BFCERO CC(C)[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204414 383947267 /nfs/dbraw/zinc/94/72/67/383947267.db2.gz SAOOEKCYPRLJQN-NSHDSACASA-N 1 0 204.273 2.529 10 10 BFCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000133309868 384285849 /nfs/dbraw/zinc/28/58/49/384285849.db2.gz AYEGHTWNUIQXSF-DGCLKSJQSA-N 1 0 219.328 2.979 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c(O)c1 ZINC000251020026 385614943 /nfs/dbraw/zinc/61/49/43/385614943.db2.gz RQSQMPWMSDOTCC-GMXVVIOVSA-N 1 0 235.327 2.529 10 10 BFCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226612532 386345838 /nfs/dbraw/zinc/34/58/38/386345838.db2.gz USLOQRYDVQLXSD-BXKDBHETSA-N 1 0 223.291 2.810 10 10 BFCERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1O ZINC000228799650 387116513 /nfs/dbraw/zinc/11/65/13/387116513.db2.gz MYEUKCXCZGDORR-PSOPSSQASA-N 1 0 247.338 2.610 10 10 BFCERO [NH3+][C@H](CCF)c1cc(Br)ccc1O ZINC000575438776 387118475 /nfs/dbraw/zinc/11/84/75/387118475.db2.gz KFMSQWLEAMVXDN-MRVPVSSYSA-N 1 0 248.095 2.514 10 10 BFCERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1O ZINC000252868183 387252530 /nfs/dbraw/zinc/25/25/30/387252530.db2.gz NFDPASJUNDNSKN-NJZAAPMLSA-N 1 0 249.354 2.736 10 10 BFCERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1nccs1 ZINC000040677128 388017767 /nfs/dbraw/zinc/01/77/67/388017767.db2.gz URAONHNFJLWYQU-IUCAKERBSA-N 1 0 228.386 2.753 10 10 BFCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1O ZINC000165064160 388250126 /nfs/dbraw/zinc/25/01/26/388250126.db2.gz CMVYVFFONVFQMW-ZYHUDNBSSA-N 1 0 205.301 2.670 10 10 BFCERO C[C@H]1CCCN(c2ccc(C[NH3+])cc2F)C1 ZINC000011757295 132320504 /nfs/dbraw/zinc/32/05/04/132320504.db2.gz MBVGJZJNNPFIRK-JTQLQIEISA-N 1 0 222.307 2.521 10 10 BFCERO C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000034823344 132337128 /nfs/dbraw/zinc/33/71/28/132337128.db2.gz JTUQGPPZRVUNIV-LLVKDONJSA-N 1 0 236.334 2.781 10 10 BFCERO CC[C@H]1CCCN(c2ccc(C[NH3+])cc2F)C1 ZINC000036170202 132340232 /nfs/dbraw/zinc/34/02/32/132340232.db2.gz CTPUUNABQAUAJU-NSHDSACASA-N 1 0 236.334 2.911 10 10 BFCERO CC[NH2+][C@@H]1CCN(c2ccc(OC)cc2)[C@H](C)C1 ZINC000049693936 132356493 /nfs/dbraw/zinc/35/64/93/132356493.db2.gz REWALGJCESTKAV-CHWSQXEVSA-N 1 0 248.370 2.662 10 10 BFCERO Cc1cc(N2CCCC[C@H]2C)ccc1C[NH3+] ZINC000050580988 132359272 /nfs/dbraw/zinc/35/92/72/132359272.db2.gz NNTSHYRJZJYHKW-GFCCVEGCSA-N 1 0 218.344 2.833 10 10 BFCERO CC(C)OCC[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000049259854 167228557 /nfs/dbraw/zinc/22/85/57/167228557.db2.gz YJYBCDAMQXUTJO-UHFFFAOYSA-N 1 0 248.370 2.658 10 10 BFCERO CC(C)Oc1ccc(N2CC[NH2+]C[C@H](C)C2)cc1 ZINC000049661822 167295907 /nfs/dbraw/zinc/29/59/07/167295907.db2.gz MPJBNOFKGKKFGD-ZDUSSCGKSA-N 1 0 248.370 2.520 10 10 BFCERO CC1(C[NH2+]Cc2ccc(O)c(O)c2)CCCC1 ZINC000104442313 168044305 /nfs/dbraw/zinc/04/43/05/168044305.db2.gz NIDMWVLNPAFCFC-UHFFFAOYSA-N 1 0 235.327 2.768 10 10 BFCERO CC1([NH2+]Cc2ccc(O)c(O)c2)CCCC1 ZINC000042176358 168064002 /nfs/dbraw/zinc/06/40/02/168064002.db2.gz VRUWOCICFOTDKF-UHFFFAOYSA-N 1 0 221.300 2.520 10 10 BFCERO CC[NH2+]Cc1ccc(N(C)CC2CC2)c(F)c1 ZINC000037926002 170126304 /nfs/dbraw/zinc/12/63/04/170126304.db2.gz MZMJAJPWLKLESA-UHFFFAOYSA-N 1 0 236.334 2.781 10 10 BFCERO CC[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716435 170127821 /nfs/dbraw/zinc/12/78/21/170127821.db2.gz BZFXEFZEJVXYLQ-DZGCQCFKSA-N 1 0 230.355 2.785 10 10 BFCERO CC[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000019882249 171348062 /nfs/dbraw/zinc/34/80/62/171348062.db2.gz UDXBCMQFUWNKGO-DTWKUNHWSA-N 1 0 209.289 2.547 10 10 BFCERO C[NH2+]C[C@@H]1CCN(c2ccc(OC(C)C)cc2)C1 ZINC000011892326 173370542 /nfs/dbraw/zinc/37/05/42/173370542.db2.gz PRKDGGVAZAQUQI-ZDUSSCGKSA-N 1 0 248.370 2.520 10 10 BFCERO COc1ccc(N(C)[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000050272420 175136215 /nfs/dbraw/zinc/13/62/15/175136215.db2.gz QCFYHXSEMBQZGS-HNNXBMFYSA-N 1 0 248.370 2.649 10 10 BFCERO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccco2)c1 ZINC000035738577 175159559 /nfs/dbraw/zinc/15/95/59/175159559.db2.gz VOFAHPGVGJANOX-JTQLQIEISA-N 1 0 247.294 2.845 10 10 BFCERO COc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)c(O)c1 ZINC000035732869 175189669 /nfs/dbraw/zinc/18/96/69/175189669.db2.gz KRFLUFFPQCQJRS-UWVGGRQHSA-N 1 0 235.327 2.850 10 10 BFCERO C[C@@H]1CCC[N@H+](CCCc2ccc(N)cc2)C1 ZINC000020192397 176098866 /nfs/dbraw/zinc/09/88/66/176098866.db2.gz POMINYUXHJDWKG-CYBMUJFWSA-N 1 0 232.371 2.933 10 10 BFCERO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000071206820 176150712 /nfs/dbraw/zinc/15/07/12/176150712.db2.gz FBEPACYHYQSCMX-IUODEOHRSA-N 1 0 244.382 2.957 10 10 BFCERO C[C@H]([N@H+](C)Cc1cc(N)ccc1O)C(C)(C)C ZINC000042737083 176744618 /nfs/dbraw/zinc/74/46/18/176744618.db2.gz VKGDBMSVWATRJB-JTQLQIEISA-N 1 0 236.359 2.841 10 10 BFCERO C[C@H]1CCCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000110921717 177104866 /nfs/dbraw/zinc/10/48/66/177104866.db2.gz VUPBXJBKFIIRTG-NSHDSACASA-N 1 0 236.334 2.911 10 10 BFCERO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N)cc1 ZINC000051728792 177162829 /nfs/dbraw/zinc/16/28/29/177162829.db2.gz ZERJUTIKSIAKGR-NWDGAFQWSA-N 1 0 218.344 2.889 10 10 BFCERO Cc1cc([C@@H]([NH3+])CC(C)C)c(O)cc1F ZINC000757133862 582510558 /nfs/dbraw/zinc/51/05/58/582510558.db2.gz ZOJBJUUWRJONIM-NSHDSACASA-N 1 0 211.280 2.886 10 10 BFCERO CC(C)Oc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000071563553 534999835 /nfs/dbraw/zinc/99/98/35/534999835.db2.gz JIVDIANXIILVFY-STQMWFEESA-N 1 0 248.370 2.660 10 10 BFCERO C[NH2+][C@@H](C)c1ccc(N2CCC(OC)CC2)cc1 ZINC000037266433 536350906 /nfs/dbraw/zinc/35/09/06/536350906.db2.gz HJUYXRVXXCZBOP-LBPRGKRZSA-N 1 0 248.370 2.582 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c(O)c1 ZINC000217616930 592142849 /nfs/dbraw/zinc/14/28/49/592142849.db2.gz YRVXDYJQRCUFAN-RWMBFGLXSA-N 1 0 249.354 2.655 10 10 BFCERO CC(C)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700903772 712009971 /nfs/dbraw/zinc/00/99/71/712009971.db2.gz GFUWWONJAJIIIQ-GFCCVEGCSA-N 1 0 232.371 2.942 10 10 BFCERO CSC1CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000708290745 712185751 /nfs/dbraw/zinc/18/57/51/712185751.db2.gz WVFQDZABPHZCFH-MCIGGMRASA-N 1 0 249.379 2.863 10 10 BFCERO CC[N+]1(c2ccc(N)cc2)CCCCC1 ZINC000059409938 717131465 /nfs/dbraw/zinc/13/14/65/717131465.db2.gz WQZSHYGIZMPIIO-UHFFFAOYSA-N 1 0 205.325 2.780 10 10 BFCERO CCC(CC)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000019883909 168393140 /nfs/dbraw/zinc/39/31/40/168393140.db2.gz QTSMYPCWLMAISM-SECBINFHSA-N 1 0 223.316 2.937 10 10 BFCERO Nc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000040409678 343401829 /nfs/dbraw/zinc/40/18/29/343401829.db2.gz ZMYAUMSMXFWBFP-UHFFFAOYSA-N 1 0 212.296 2.559 10 10 BFCERO CCCc1cc(CC)c2c(c1O)[C@@H]([NH3+])CC2 ZINC000026167507 344128635 /nfs/dbraw/zinc/12/86/35/344128635.db2.gz PLSSOTGNSOLYTA-LBPRGKRZSA-N 1 0 219.328 2.853 10 10 BFCERO Oc1ccc2c(c1O)C[N@@H+](Cc1ccccc1)C2 ZINC000200010519 344596542 /nfs/dbraw/zinc/59/65/42/344596542.db2.gz OHAGPCMMEHVYNR-UHFFFAOYSA-N 1 0 241.290 2.614 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000249723873 178805666 /nfs/dbraw/zinc/80/56/66/178805666.db2.gz FSAIBAAZVDIQDU-CORIIIEPSA-N 1 0 249.354 2.655 10 10 BFCERO Oc1ccc(C[NH2+]CCC2CCCC2)c(O)c1 ZINC000037739492 183270711 /nfs/dbraw/zinc/27/07/11/183270711.db2.gz MLSRNJKBGKMGQK-UHFFFAOYSA-N 1 0 235.327 2.768 10 10 BFCERO Oc1cccc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)c1O ZINC000104242051 183291837 /nfs/dbraw/zinc/29/18/37/183291837.db2.gz MLQLEVCDTAXPNC-DMDPSCGWSA-N 1 0 247.338 2.624 10 10 BFCERO Oc1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228155689 183301372 /nfs/dbraw/zinc/30/13/72/183301372.db2.gz HDDAXMZVWBMZCO-UKRRQHHQSA-N 1 0 247.338 2.536 10 10 BFCERO CCCN(c1ccc(C[NH2+]C)cc1F)C1CC1 ZINC000034824907 169182473 /nfs/dbraw/zinc/18/24/73/169182473.db2.gz MCSSNCZKCZWLNU-UHFFFAOYSA-N 1 0 236.334 2.924 10 10 BFCERO CCC[C@@H](C)[N@H+](C)CCOc1ccc(N)cc1 ZINC000036789730 169364705 /nfs/dbraw/zinc/36/47/05/169364705.db2.gz UHPDDQBFFOXILM-GFCCVEGCSA-N 1 0 236.359 2.768 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000035628966 383866344 /nfs/dbraw/zinc/86/63/44/383866344.db2.gz FFRVRWRVIAHEOR-HUBLWGQQSA-N 1 0 249.354 2.919 10 10 BFCERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(F)ccc1O ZINC000087111402 384738256 /nfs/dbraw/zinc/73/82/56/384738256.db2.gz DDVQUEUQGLOFDZ-DKCNOQQISA-N 1 0 209.264 2.590 10 10 BFCERO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@H](C)C1 ZINC000377550564 385120370 /nfs/dbraw/zinc/12/03/70/385120370.db2.gz PMVNFTGYVDCZQU-TZMCWYRMSA-N 1 0 249.354 2.812 10 10 BFCERO CC[C@@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000035068463 386975231 /nfs/dbraw/zinc/97/52/31/386975231.db2.gz KYIDHVQLJMZGNK-LLVKDONJSA-N 1 0 201.269 2.955 10 10 BFCERO [NH3+][C@H](CC(F)F)c1cc(Cl)ccc1O ZINC000575437458 387107603 /nfs/dbraw/zinc/10/76/03/387107603.db2.gz GBDIAUBSEWKTHU-SSDOTTSWSA-N 1 0 221.634 2.701 10 10 BFCERO CN(C)c1ccc([C@@H]([NH3+])CCF)c(Cl)c1 ZINC000575439089 387121280 /nfs/dbraw/zinc/12/12/80/387121280.db2.gz PDFVRTSEQIPWDU-NSHDSACASA-N 1 0 230.714 2.765 10 10 BFCERO [NH3+][C@@H](CCF)c1cc(Br)ccc1O ZINC000575438408 387129862 /nfs/dbraw/zinc/12/98/62/387129862.db2.gz KFMSQWLEAMVXDN-QMMMGPOBSA-N 1 0 248.095 2.514 10 10 BFCERO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1CCCO1 ZINC000295794902 388414132 /nfs/dbraw/zinc/41/41/32/388414132.db2.gz BUNBXFQHOVXTSM-SUHUHFCYSA-N 1 0 247.338 2.537 10 10 BFCERO CCCCC[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000008030941 132318543 /nfs/dbraw/zinc/31/85/43/132318543.db2.gz MBBDQXGGFREGSO-UHFFFAOYSA-N 1 0 247.386 2.581 10 10 BFCERO C[C@@H]1C[C@@H](C)CN(c2ccc(C[NH3+])cc2)C1 ZINC000019865432 132327941 /nfs/dbraw/zinc/32/79/41/132327941.db2.gz ASGWDXMCOCCQKC-VXGBXAGGSA-N 1 0 218.344 2.628 10 10 BFCERO Cc1cc(C[NH3+])ccc1N1CCC[C@@H](C)C1 ZINC000037733136 132345388 /nfs/dbraw/zinc/34/53/88/132345388.db2.gz XTKARYAYLGMYOY-LLVKDONJSA-N 1 0 218.344 2.690 10 10 BFCERO C[C@@H]1[C@@H](C)CCCN1c1ccc(C[NH3+])cc1 ZINC000050562857 132359097 /nfs/dbraw/zinc/35/90/97/132359097.db2.gz HLEYAOBYMYAYPS-NWDGAFQWSA-N 1 0 218.344 2.770 10 10 BFCERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000052275012 132362158 /nfs/dbraw/zinc/36/21/58/132362158.db2.gz PTGZRIFAGQNVBD-BXUZGUMPSA-N 1 0 230.355 2.567 10 10 BFCERO Cc1cc(N2CCC[C@H]([NH3+])C2)ccc1OC(C)C ZINC000063063385 132388734 /nfs/dbraw/zinc/38/87/34/132388734.db2.gz MAMRTAREMXJREE-ZDUSSCGKSA-N 1 0 248.370 2.710 10 10 BFCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccccc1O ZINC000251857042 135078690 /nfs/dbraw/zinc/07/86/90/135078690.db2.gz NWWHRGQOGUVWMC-MUYACECFSA-N 1 0 247.338 2.610 10 10 BFCERO CC(C)[NH2+]C[C@@H]1CCCc2cc(O)c(O)cc21 ZINC000027883055 167113685 /nfs/dbraw/zinc/11/36/85/167113685.db2.gz OCFBOKLDUXHEDQ-NSHDSACASA-N 1 0 235.327 2.516 10 10 BFCERO CC(C)Oc1ccc(N(C)[C@H](C)CC[NH3+])cc1 ZINC000049828333 167295864 /nfs/dbraw/zinc/29/58/64/167295864.db2.gz BLDPZJHZJPDAHO-GFCCVEGCSA-N 1 0 236.359 2.647 10 10 BFCERO CC(C)[C@@H](C)N(C)c1ccc(C[NH3+])cc1 ZINC000037504593 167370102 /nfs/dbraw/zinc/37/01/02/167370102.db2.gz NOVHSLTZEHUDAO-LLVKDONJSA-N 1 0 206.333 2.626 10 10 BFCERO CC[NH2+]Cc1ccc(N2CC[C@H](C)C2)c(C)c1 ZINC000050560866 170127374 /nfs/dbraw/zinc/12/73/74/170127374.db2.gz JWFCAWVCSRYHQB-LBPRGKRZSA-N 1 0 232.371 2.951 10 10 BFCERO CC[C@@H]1CC[NH2+][C@H]1c1ccc(N(C)C)cc1 ZINC000003733027 171027312 /nfs/dbraw/zinc/02/73/12/171027312.db2.gz JBQBONWOKLHFQK-BXUZGUMPSA-N 1 0 218.344 2.813 10 10 BFCERO CC[C@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000037110383 171309129 /nfs/dbraw/zinc/30/91/29/171309129.db2.gz HIZJFMRMWFJAHM-WDEREUQCSA-N 1 0 206.333 2.941 10 10 BFCERO CC[C@H](C)N(C)c1c(F)cc(C[NH3+])cc1F ZINC000062710328 171309445 /nfs/dbraw/zinc/30/94/45/171309445.db2.gz UGXNCTKSFLWYSC-QMMMGPOBSA-N 1 0 228.286 2.658 10 10 BFCERO COc1ccc(O)c(C[NH2+][C@H](C)c2ccco2)c1 ZINC000035738579 175159002 /nfs/dbraw/zinc/15/90/02/175159002.db2.gz VOFAHPGVGJANOX-SNVBAGLBSA-N 1 0 247.294 2.845 10 10 BFCERO COc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)c(O)c1 ZINC000035732872 175177591 /nfs/dbraw/zinc/17/75/91/175177591.db2.gz KRFLUFFPQCQJRS-NXEZZACHSA-N 1 0 235.327 2.850 10 10 BFCERO C[C@@H](C1CC1)N(C)c1c(F)cc(C[NH3+])cc1F ZINC000062710919 175633950 /nfs/dbraw/zinc/63/39/50/175633950.db2.gz JEJJRCREIDPCMG-QMMMGPOBSA-N 1 0 240.297 2.658 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N2CC[C@@H](C)C2)cc1 ZINC000040718477 176181681 /nfs/dbraw/zinc/18/16/81/176181681.db2.gz LVIBXDWSNYDSMV-GHMZBOCLSA-N 1 0 204.317 2.553 10 10 BFCERO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(N)cc1 ZINC000032104048 177075413 /nfs/dbraw/zinc/07/54/13/177075413.db2.gz AKPFESZRSKCEND-ZDUSSCGKSA-N 1 0 248.370 2.912 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H]2C)cc1 ZINC000037911121 177112355 /nfs/dbraw/zinc/11/23/55/177112355.db2.gz ZTPTWKSSMXPQLZ-WDEREUQCSA-N 1 0 204.317 2.695 10 10 BFCERO C[C@@H]1C[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000083552403 491126515 /nfs/dbraw/zinc/12/65/15/491126515.db2.gz DWRXAZYIWKAYHN-XCBNKYQSSA-N 1 0 211.692 2.544 10 10 BFCERO CC(C)Oc1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000058449543 534999901 /nfs/dbraw/zinc/99/99/01/534999901.db2.gz QGMDYQKOJIOZAD-UHFFFAOYSA-N 1 0 248.370 2.662 10 10 BFCERO CC[NH2+][C@H](C)c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000035776745 535516283 /nfs/dbraw/zinc/51/62/83/535516283.db2.gz STJLEWHSHMGHLR-QWHCGFSZSA-N 1 0 248.370 2.582 10 10 BFCERO CCOc1ccc(N2CC(C)(C)[NH2+]C[C@@H]2C)cc1 ZINC000058449535 535735308 /nfs/dbraw/zinc/73/53/08/535735308.db2.gz OJFURFFJCVJOSI-LBPRGKRZSA-N 1 0 248.370 2.662 10 10 BFCERO C[NH2+]Cc1ccc(N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000034824025 536469493 /nfs/dbraw/zinc/46/94/93/536469493.db2.gz UWIIXINPNOQPJM-BETUJISGSA-N 1 0 232.371 2.888 10 10 BFCERO CCC[C@H]([NH3+])c1cc(Cl)cc(OC)c1O ZINC000757145856 582528679 /nfs/dbraw/zinc/52/86/79/582528679.db2.gz QCSHYAAAPWTBTB-VIFPVBQESA-N 1 0 229.707 2.854 10 10 BFCERO COc1cc(Cl)cc([C@H]([NH3+])C(C)C)c1O ZINC000757133788 586427284 /nfs/dbraw/zinc/42/72/84/586427284.db2.gz XQPCXNFZEZRXEE-SNVBAGLBSA-N 1 0 229.707 2.710 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c(O)c1 ZINC000248535681 635678472 /nfs/dbraw/zinc/67/84/72/635678472.db2.gz YSNBEKJXEGUTRR-SLEUVZQESA-N 1 0 249.354 2.919 10 10 BFCERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1O ZINC000052270347 632823046 /nfs/dbraw/zinc/82/30/46/632823046.db2.gz SBQUBICOFVAQLX-DLOVCJGASA-N 1 0 205.301 2.841 10 10 BFCERO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H]1C[C@@H]1C ZINC000321955068 636783709 /nfs/dbraw/zinc/78/37/09/636783709.db2.gz XODCXXWORYBHBP-UHTWSYAYSA-N 1 0 219.328 2.916 10 10 BFCERO COCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000713985311 712476417 /nfs/dbraw/zinc/47/64/17/712476417.db2.gz NOYKGFSPWWFCQS-UHFFFAOYSA-N 1 0 249.354 2.518 10 10 BFCERO Nc1ccc2[nH+]c3ccccc3c(N)c2c1 ZINC000005422180 342697725 /nfs/dbraw/zinc/69/77/25/342697725.db2.gz FCXMXTMQASDIDU-UHFFFAOYSA-N 1 0 209.252 2.552 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N(C)C)c(Cl)c1 ZINC000061694494 398343492 /nfs/dbraw/zinc/34/34/92/398343492.db2.gz PPULVPPZMIPJMT-MRVPVSSYSA-N 1 0 212.724 2.686 10 10 BFCERO CCN(C)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061694708 398343497 /nfs/dbraw/zinc/34/34/97/398343497.db2.gz MKNRFFQWANOBDD-QMMMGPOBSA-N 1 0 212.724 2.816 10 10 BFCERO CCC[NH+](CCC)CCOc1ccc(N)cc1 ZINC000036671375 343143040 /nfs/dbraw/zinc/14/30/40/343143040.db2.gz ZJHXRZNXLKZGDD-UHFFFAOYSA-N 1 0 236.359 2.770 10 10 BFCERO Cc1cc[nH+]c(N)c1OCc1ccccc1 ZINC000034183874 187257068 /nfs/dbraw/zinc/25/70/68/187257068.db2.gz VYOWENVFMGQCJP-UHFFFAOYSA-N 1 0 214.268 2.551 10 10 BFCERO Nc1ccc(N2CCC[C@@H](C(F)F)C2)cc1 ZINC000409430026 343807043 /nfs/dbraw/zinc/80/70/43/343807043.db2.gz PXAMFGGRZZCIMJ-SECBINFHSA-N 1 0 226.270 2.750 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N(C)C)cc1Br ZINC000235167026 344832469 /nfs/dbraw/zinc/83/24/69/344832469.db2.gz CMAQHVHEUGHRDX-SSDOTTSWSA-N 1 0 243.148 2.535 10 10 BFCERO CC(C)c1ccccc1CCC(=O)C[N+]#N ZINC000147186994 346005163 /nfs/dbraw/zinc/00/51/63/346005163.db2.gz GMUGZOXMLMELEQ-UHFFFAOYSA-N 1 0 216.284 2.612 10 10 BFCERO Cc1csc([C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000011737275 179796245 /nfs/dbraw/zinc/79/62/45/179796245.db2.gz GMPMENOMERPBPO-GFCCVEGCSA-N 1 0 247.367 2.566 10 10 BFCERO CC(C)N(C)c1ccc(C[NH3+])c(Cl)c1 ZINC000061845508 187613092 /nfs/dbraw/zinc/61/30/92/187613092.db2.gz OIOODLAZTYCOHM-UHFFFAOYSA-N 1 0 212.724 2.643 10 10 BFCERO CC(C)[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000020523078 188282452 /nfs/dbraw/zinc/28/24/52/188282452.db2.gz UZAJQTYXNLNOIP-VHSXEESVSA-N 1 0 223.316 2.793 10 10 BFCERO C[C@H]1CC(C[NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC000282308225 188384574 /nfs/dbraw/zinc/38/45/74/188384574.db2.gz SGBICKWOHJWYQG-RYUDHWBXSA-N 1 0 249.354 2.685 10 10 BFCERO C[C@@H]1CC(C[NH2+]Cc2ccccc2O)C[C@@H](C)O1 ZINC000282308230 188384936 /nfs/dbraw/zinc/38/49/36/188384936.db2.gz SGBICKWOHJWYQG-VXGBXAGGSA-N 1 0 249.354 2.685 10 10 BFCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000231675719 353642541 /nfs/dbraw/zinc/64/25/41/353642541.db2.gz YKIQZVJQEUDEEO-ZYHUDNBSSA-N 1 0 235.327 2.679 10 10 BFCERO Oc1ccccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070163 359040403 /nfs/dbraw/zinc/04/04/03/359040403.db2.gz XIINJBSAFOIJOU-CYBMUJFWSA-N 1 0 241.290 2.616 10 10 BFCERO N#[N+]C1=C2C=C(F)CC=C2c2ccccc21 ZINC000039320509 368404884 /nfs/dbraw/zinc/40/48/84/368404884.db2.gz IFAAZHWICBLXHX-UHFFFAOYSA-N 1 0 210.211 2.873 10 10 BFCERO Oc1ccc(C[NH2+]Cc2ccccc2F)c(O)c1 ZINC000019949822 183270812 /nfs/dbraw/zinc/27/08/12/183270812.db2.gz XRETVGZWPXKGJQ-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO Oc1ccc(F)cc1[C@@H]1CCCCC[NH2+]1 ZINC000075868613 183275544 /nfs/dbraw/zinc/27/55/44/183275544.db2.gz DRIKAWLQIMXINS-NSHDSACASA-N 1 0 209.264 2.736 10 10 BFCERO CCC[C@@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204362 169394041 /nfs/dbraw/zinc/39/40/41/169394041.db2.gz SUZWIQWMYLYNGP-SNVBAGLBSA-N 1 0 204.273 2.673 10 10 BFCERO CCCc1cc(C)c2c(c1O)[C@H]([NH3+])CC2 ZINC000026155340 169565495 /nfs/dbraw/zinc/56/54/95/169565495.db2.gz BNGMREZMYFKOLR-LLVKDONJSA-N 1 0 205.301 2.599 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c(O)c1 ZINC000134246272 384343295 /nfs/dbraw/zinc/34/32/95/384343295.db2.gz RQSQMPWMSDOTCC-DMDPSCGWSA-N 1 0 235.327 2.529 10 10 BFCERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccccc1O ZINC000300417760 386594413 /nfs/dbraw/zinc/59/44/13/386594413.db2.gz MYEUKCXCZGDORR-XEGUGMAKSA-N 1 0 247.338 2.610 10 10 BFCERO [NH3+][C@@H](CCF)c1c(O)ccc2ccccc21 ZINC000575440027 387128120 /nfs/dbraw/zinc/12/81/20/387128120.db2.gz ZKHQGENGFBVICL-NSHDSACASA-N 1 0 219.259 2.905 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000251180430 387185928 /nfs/dbraw/zinc/18/59/28/387185928.db2.gz VZTGJYWLBIFCSJ-GVXVVHGQSA-N 1 0 235.327 2.529 10 10 BFCERO C[NH2+]Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000034824026 132337039 /nfs/dbraw/zinc/33/70/39/132337039.db2.gz UWIIXINPNOQPJM-STQMWFEESA-N 1 0 232.371 2.888 10 10 BFCERO Cc1cc(C[NH3+])ccc1N1C[C@H](C)C[C@@H](C)C1 ZINC000037733158 132345434 /nfs/dbraw/zinc/34/54/34/132345434.db2.gz ZANAXYXFSYZHBW-VXGBXAGGSA-N 1 0 232.371 2.936 10 10 BFCERO CC[NH2+]Cc1ccc(N(C)C[C@H]2C[C@@H]2C)cc1 ZINC000104426909 170126572 /nfs/dbraw/zinc/12/65/72/170126572.db2.gz KCAZZUCIJPFDLO-GXTWGEPZSA-N 1 0 232.371 2.888 10 10 BFCERO CC[NH2+]Cc1ccc(N(C)CC2CC2)c(C)c1 ZINC000050560778 170126726 /nfs/dbraw/zinc/12/67/26/170126726.db2.gz PXKVMJDNJXUVTO-UHFFFAOYSA-N 1 0 232.371 2.951 10 10 BFCERO CC[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000049716444 170127163 /nfs/dbraw/zinc/12/71/63/170127163.db2.gz UIVBBYSWDOLSBD-QWHCGFSZSA-N 1 0 248.345 2.924 10 10 BFCERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2C)c(F)c1 ZINC000037911782 170127642 /nfs/dbraw/zinc/12/76/42/170127642.db2.gz DQVFISTZSSEYFG-NSHDSACASA-N 1 0 236.334 2.924 10 10 BFCERO CC[NH2+][C@@H](C)c1ccc(N2CCCC2)cc1 ZINC000034837267 170141825 /nfs/dbraw/zinc/14/18/25/170141825.db2.gz AAQVLGXNSKPPLT-LBPRGKRZSA-N 1 0 218.344 2.957 10 10 BFCERO CC[NH2+][C@H](C)c1ccc(N(C)C)c(F)c1 ZINC000034840547 170159111 /nfs/dbraw/zinc/15/91/11/170159111.db2.gz NDKXXWLGPLWRHO-SECBINFHSA-N 1 0 210.296 2.562 10 10 BFCERO CCOCCN(CC)c1ccc([C@@H](C)[NH3+])cc1 ZINC000111119752 170395997 /nfs/dbraw/zinc/39/59/97/170395997.db2.gz MFYSMKODCPSZIY-GFCCVEGCSA-N 1 0 236.359 2.569 10 10 BFCERO CC[C@@H]1CCC[N@@H+]1CCCOc1ccc(N)cc1 ZINC000037913117 170981550 /nfs/dbraw/zinc/98/15/50/170981550.db2.gz NHCKLBJMZOMTOS-CQSZACIVSA-N 1 0 248.370 2.912 10 10 BFCERO C[N@H+](Cc1cccs1)Cc1ccc(N)cc1 ZINC000035360450 172854149 /nfs/dbraw/zinc/85/41/49/172854149.db2.gz ZUVRGGLRKZPHMS-UHFFFAOYSA-N 1 0 232.352 2.962 10 10 BFCERO C[NH2+]CCN(C)c1ccc(OC2CCCC2)cc1 ZINC000107293951 173353736 /nfs/dbraw/zinc/35/37/36/173353736.db2.gz GVUGBANNMOAORH-UHFFFAOYSA-N 1 0 248.370 2.664 10 10 BFCERO C[NH2+]Cc1ccc(N2CC[C@@H](C)C2)c(C)c1 ZINC000050560863 173388946 /nfs/dbraw/zinc/38/89/46/173388946.db2.gz JWENAGAWFWRHEG-LLVKDONJSA-N 1 0 218.344 2.561 10 10 BFCERO COCCN(c1ccc(N)cc1)[C@H](C)C1CC1 ZINC000059001811 174301826 /nfs/dbraw/zinc/30/18/26/174301826.db2.gz VWVXUZNWYGKQCF-LLVKDONJSA-N 1 0 234.343 2.520 10 10 BFCERO COc1ccc(C[NH2+][C@@H](C)c2ccco2)c(O)c1 ZINC000042372704 175109090 /nfs/dbraw/zinc/10/90/90/175109090.db2.gz VOSPJLOWIJWYSG-JTQLQIEISA-N 1 0 247.294 2.845 10 10 BFCERO COc1ccc(N2CCC[NH2+][C@@H](C)CC2)cc1C ZINC000049667104 175139783 /nfs/dbraw/zinc/13/97/83/175139783.db2.gz JXXNGSQCNWYFHA-ZDUSSCGKSA-N 1 0 248.370 2.582 10 10 BFCERO COc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)c(O)c1 ZINC000035732871 175189705 /nfs/dbraw/zinc/18/97/05/175189705.db2.gz KRFLUFFPQCQJRS-ZJUUUORDSA-N 1 0 235.327 2.850 10 10 BFCERO COc1cccc(C[NH2+][C@@H](C)c2ccco2)c1O ZINC000035738995 175267034 /nfs/dbraw/zinc/26/70/34/175267034.db2.gz XCLGMLCHBXVMCA-JTQLQIEISA-N 1 0 247.294 2.845 10 10 BFCERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1O ZINC000019945215 176081000 /nfs/dbraw/zinc/08/10/00/176081000.db2.gz HMYOQRZLTJOFSP-MFKMUULPSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@@H]1CCCN1c1ccc(C[NH3+])c(Cl)c1 ZINC000061845920 176111877 /nfs/dbraw/zinc/11/18/77/176111877.db2.gz XKIRKQSJDYQNND-SECBINFHSA-N 1 0 224.735 2.787 10 10 BFCERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(N)ccc1O ZINC000037272659 176115939 /nfs/dbraw/zinc/11/59/39/176115939.db2.gz XVUIYLZBXYZCSG-GHMZBOCLSA-N 1 0 234.343 2.737 10 10 BFCERO C[C@H]([NH3+])c1ccc(N(C)Cc2ccco2)cc1 ZINC000035702271 176776741 /nfs/dbraw/zinc/77/67/41/176776741.db2.gz QXWFREMXAOIENA-NSHDSACASA-N 1 0 230.311 2.936 10 10 BFCERO C[C@H]1C[NH2+][C@H](c2cc(Cl)ccc2O)C1 ZINC000003705277 177286859 /nfs/dbraw/zinc/28/68/59/177286859.db2.gz SODBIXBLSQETCO-XCBNKYQSSA-N 1 0 211.692 2.716 10 10 BFCERO C[C@@H]1C[C@H](C)C[N@@H+](CCc2ccc(N)cc2)C1 ZINC000011570450 177313257 /nfs/dbraw/zinc/31/32/57/177313257.db2.gz QBDVJALVSMVVTL-BETUJISGSA-N 1 0 232.371 2.789 10 10 BFCERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000052271274 177385415 /nfs/dbraw/zinc/38/54/15/177385415.db2.gz VIRYPQQNJQHRLI-OIBJUYFYSA-N 1 0 211.692 2.544 10 10 BFCERO CC(C)Oc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000071563551 534999944 /nfs/dbraw/zinc/99/99/44/534999944.db2.gz JIVDIANXIILVFY-OLZOCXBDSA-N 1 0 248.370 2.660 10 10 BFCERO CN1CCCc2cc(C[NH2+][C@H]3CC3(C)C)ccc21 ZINC000050286953 536396701 /nfs/dbraw/zinc/39/67/01/536396701.db2.gz UNYLAKCSLKGVSW-HNNXBMFYSA-N 1 0 244.382 2.957 10 10 BFCERO COCCc1ccc(O)c([C@@H]([NH3+])C(C)(C)C)c1 ZINC000757145245 582526916 /nfs/dbraw/zinc/52/69/16/582526916.db2.gz LCXTVSXVXIBZGJ-CYBMUJFWSA-N 1 0 237.343 2.627 10 10 BFCERO CCCc1ccc(O)c([C@@H]([NH3+])C2CC2)c1 ZINC000095770305 635491631 /nfs/dbraw/zinc/49/16/31/635491631.db2.gz QUECFAKAMODAEX-ZDUSSCGKSA-N 1 0 205.301 2.755 10 10 BFCERO CCC[C@@H]([NH3+])c1cc(Br)ccc1O ZINC000095770918 635490381 /nfs/dbraw/zinc/49/03/81/635490381.db2.gz MYDMBOYMZQNKKU-SECBINFHSA-N 1 0 244.132 2.955 10 10 BFCERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000052271266 632114790 /nfs/dbraw/zinc/11/47/90/632114790.db2.gz VIRYPQQNJQHRLI-XCBNKYQSSA-N 1 0 211.692 2.544 10 10 BFCERO CC(C)c1ccc(O)c([C@H]([NH3+])C2CC2)c1 ZINC000238205957 642798208 /nfs/dbraw/zinc/79/82/08/642798208.db2.gz SMSDRWKYXGPUAZ-CYBMUJFWSA-N 1 0 205.301 2.925 10 10 BFCERO Cc1cc(C[NH3+])c(C)n1-c1ccc(N(C)C)cc1 ZINC000034936141 343280755 /nfs/dbraw/zinc/28/07/55/343280755.db2.gz DPUYWPDXDDFNDW-UHFFFAOYSA-N 1 0 243.354 2.619 10 10 BFCERO Cn1ccc2c1ccc1c2C[C@H]([NH+](C)C)CC1 ZINC000027723498 344294413 /nfs/dbraw/zinc/29/44/13/344294413.db2.gz NAXFIQAYQGLLAZ-GFCCVEGCSA-N 1 0 228.339 2.597 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000248747672 178805209 /nfs/dbraw/zinc/80/52/09/178805209.db2.gz FFRVRWRVIAHEOR-YWPYICTPSA-N 1 0 249.354 2.919 10 10 BFCERO Cc1cccc(C[NH2+][C@H](C)C(C)C)c1O ZINC000162823849 179099434 /nfs/dbraw/zinc/09/94/34/179099434.db2.gz MDBWNQMRNKTGDC-LLVKDONJSA-N 1 0 207.317 2.835 10 10 BFCERO CCCc1cc(CC)c2c(c1O)[C@H]([NH3+])CC2 ZINC000026167502 350271781 /nfs/dbraw/zinc/27/17/81/350271781.db2.gz PLSSOTGNSOLYTA-GFCCVEGCSA-N 1 0 219.328 2.853 10 10 BFCERO CC(C)[NH+](Cc1ccc(N)cc1)C(C)C ZINC000035365382 188103271 /nfs/dbraw/zinc/10/32/71/188103271.db2.gz ICHPLZRHVCLTGA-UHFFFAOYSA-N 1 0 206.333 2.888 10 10 BFCERO Oc1ccc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000072202749 183267131 /nfs/dbraw/zinc/26/71/31/183267131.db2.gz UUSBTLBYOFJTKA-SECBINFHSA-N 1 0 242.116 2.579 10 10 BFCERO Oc1cccc(C[NH2+]Cc2cccc(F)c2)c1O ZINC000041116749 183291076 /nfs/dbraw/zinc/29/10/76/183291076.db2.gz ZNFNMRNNPWYVKB-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO CCC[NH2+][C@@H]1CCN(c2ccc(OC)cc2C)C1 ZINC000061567978 169283060 /nfs/dbraw/zinc/28/30/60/169283060.db2.gz RZWUHUDNTRJSJV-CYBMUJFWSA-N 1 0 248.370 2.582 10 10 BFCERO CCCOc1ccc(N2CC[C@@H]([NH2+]CC)C2)cc1 ZINC000051786226 169319495 /nfs/dbraw/zinc/31/94/95/169319495.db2.gz GRPVVLOFNALFND-CYBMUJFWSA-N 1 0 248.370 2.664 10 10 BFCERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000019902844 169371638 /nfs/dbraw/zinc/37/16/38/169371638.db2.gz IHLYEORHHDJLOW-NXEZZACHSA-N 1 0 223.316 2.937 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000251180427 387186523 /nfs/dbraw/zinc/18/65/23/387186523.db2.gz VZTGJYWLBIFCSJ-GMXVVIOVSA-N 1 0 235.327 2.529 10 10 BFCERO CCN(CC)c1ccc([C@@H]([NH3+])CCF)cc1 ZINC000575439191 388625981 /nfs/dbraw/zinc/62/59/81/388625981.db2.gz QIWJOOXRTSUXGI-ZDUSSCGKSA-N 1 0 224.323 2.892 10 10 BFCERO C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000034823345 132337038 /nfs/dbraw/zinc/33/70/38/132337038.db2.gz JTUQGPPZRVUNIV-NSHDSACASA-N 1 0 236.334 2.781 10 10 BFCERO CC[NH2+][C@@H](C)c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000034838169 132337043 /nfs/dbraw/zinc/33/70/43/132337043.db2.gz ATIVKRUMTKYPPP-OLZOCXBDSA-N 1 0 248.370 2.582 10 10 BFCERO CC[NH2+][C@@H](C)c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000035776742 132339373 /nfs/dbraw/zinc/33/93/73/132339373.db2.gz STJLEWHSHMGHLR-STQMWFEESA-N 1 0 248.370 2.582 10 10 BFCERO C[C@@H]1C[C@@H](C)CCN1c1ccc(C[NH3+])cc1 ZINC000051728443 132361510 /nfs/dbraw/zinc/36/15/10/132361510.db2.gz KXGZNOYOROWMSD-NWDGAFQWSA-N 1 0 218.344 2.770 10 10 BFCERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000020523183 167383824 /nfs/dbraw/zinc/38/38/24/167383824.db2.gz PRXBRBPKBNIMON-ZJUUUORDSA-N 1 0 223.316 2.793 10 10 BFCERO CC1(C[NH2+]Cc2cccc(O)c2O)CCCC1 ZINC000104434996 168043513 /nfs/dbraw/zinc/04/35/13/168043513.db2.gz RTWQIESZXUASCF-UHFFFAOYSA-N 1 0 235.327 2.768 10 10 BFCERO CC1CC[NH+](CCCc2ccc(N)cc2)CC1 ZINC000020192334 168179515 /nfs/dbraw/zinc/17/95/15/168179515.db2.gz HMLQKAVURNFWCT-UHFFFAOYSA-N 1 0 232.371 2.933 10 10 BFCERO CC[NH2+]Cc1ccc(N(CC)C2CC2)c(F)c1 ZINC000034824635 170127763 /nfs/dbraw/zinc/12/77/63/170127763.db2.gz RYKOXDAPCFXHLM-UHFFFAOYSA-N 1 0 236.334 2.924 10 10 BFCERO CC[C@H](C)CN(C)c1c(F)cc(C[NH3+])cc1F ZINC000062710417 171276277 /nfs/dbraw/zinc/27/62/77/171276277.db2.gz GSZBXSPQRGMDFC-VIFPVBQESA-N 1 0 242.313 2.906 10 10 BFCERO CN1CCc2cc(C[NH2+]C(C)(C)C)ccc21 ZINC000050285746 173169545 /nfs/dbraw/zinc/16/95/45/173169545.db2.gz FLBUKXYPZLXHPT-UHFFFAOYSA-N 1 0 218.344 2.567 10 10 BFCERO C[NH2+]Cc1cc(F)c(N(C)C(C)C)c(F)c1 ZINC000062709503 173387164 /nfs/dbraw/zinc/38/71/64/173387164.db2.gz JKUDOEKTQUDEII-UHFFFAOYSA-N 1 0 228.286 2.529 10 10 BFCERO COc1ccc(C[NH2+]C(C)(C)C)cc1C ZINC000035257238 175106033 /nfs/dbraw/zinc/10/60/33/175106033.db2.gz RBYOEEIJMYXGNS-UHFFFAOYSA-N 1 0 207.317 2.892 10 10 BFCERO COc1cccc(C[NH2+][C@H](C)c2ccco2)c1O ZINC000035738996 175267836 /nfs/dbraw/zinc/26/78/36/175267836.db2.gz XCLGMLCHBXVMCA-SNVBAGLBSA-N 1 0 247.294 2.845 10 10 BFCERO C[C@H]([NH3+])c1ccc(N2CCCC2)c(Cl)c1 ZINC000058826222 176776759 /nfs/dbraw/zinc/77/67/59/176776759.db2.gz HXHBHXBSTMCOEG-VIFPVBQESA-N 1 0 224.735 2.960 10 10 BFCERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(O)c1 ZINC000019945125 177083274 /nfs/dbraw/zinc/08/32/74/177083274.db2.gz IZKOCUVSLANPIC-JQWIXIFHSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000050563143 177100634 /nfs/dbraw/zinc/10/06/34/177100634.db2.gz XZSYVMAMLOSVPP-QWHCGFSZSA-N 1 0 248.370 2.768 10 10 BFCERO CCOC1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000040689547 535400493 /nfs/dbraw/zinc/40/04/93/535400493.db2.gz JZVCWNVIFAMIQK-LBPRGKRZSA-N 1 0 248.370 2.712 10 10 BFCERO CCC[C@H]([NH3+])c1cc(Br)ccc1O ZINC000095760068 635490846 /nfs/dbraw/zinc/49/08/46/635490846.db2.gz MYDMBOYMZQNKKU-VIFPVBQESA-N 1 0 244.132 2.955 10 10 BFCERO CC[C@@H]([NH3+])c1cc(Br)cc(C)c1O ZINC000095716986 636053361 /nfs/dbraw/zinc/05/33/61/636053361.db2.gz BVWSHECRJQESQH-SECBINFHSA-N 1 0 244.132 2.873 10 10 BFCERO COC1CC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000230674291 641079754 /nfs/dbraw/zinc/07/97/54/641079754.db2.gz RJNHUNYHWDSRRA-ZOODHJKOSA-N 1 0 248.370 2.581 10 10 BFCERO COCC1CC([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000713987573 712476508 /nfs/dbraw/zinc/47/65/08/712476508.db2.gz ZUONBMRVEBYEJG-PNESKVBLSA-N 1 0 249.354 2.776 10 10 BFCERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccccc1O ZINC000037165198 712549622 /nfs/dbraw/zinc/54/96/22/712549622.db2.gz RSWNZVBIXJSRSP-OBJOEFQTSA-N 1 0 249.354 2.736 10 10 BFCERO CC[C@H]1CC[NH2+][C@@H]1c1ccc(N(C)C)cc1 ZINC000003733028 342737158 /nfs/dbraw/zinc/73/71/58/342737158.db2.gz JBQBONWOKLHFQK-FZMZJTMJSA-N 1 0 218.344 2.813 10 10 BFCERO Cc1ccc(F)c([C@@H]2CCCC[NH2+]2)c1O ZINC000214983746 342924441 /nfs/dbraw/zinc/92/44/41/342924441.db2.gz DECNUYTXZDXEAG-JTQLQIEISA-N 1 0 209.264 2.654 10 10 BFCERO CC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362277 343343873 /nfs/dbraw/zinc/34/38/73/343343873.db2.gz OQXSXQCXMUUJNJ-UHFFFAOYSA-N 1 0 205.301 2.510 10 10 BFCERO CCN(CC)c1ccc([C@H]2CC[NH2+]2)cc1 ZINC000044257782 344996579 /nfs/dbraw/zinc/99/65/79/344996579.db2.gz NUNNGMVXFAEVEU-CYBMUJFWSA-N 1 0 204.317 2.567 10 10 BFCERO Nc1ccc(C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000034145964 350463338 /nfs/dbraw/zinc/46/33/38/350463338.db2.gz LCYDMRJUQLEWFA-CQSZACIVSA-N 1 0 212.296 2.511 10 10 BFCERO CCN(C)c1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000037078069 188113448 /nfs/dbraw/zinc/11/34/48/188113448.db2.gz SETOGXKNNZUNGM-UHFFFAOYSA-N 1 0 232.249 2.620 10 10 BFCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217863134 134250355 /nfs/dbraw/zinc/25/03/55/134250355.db2.gz ZPXYMBQJHNFFEH-JSGCOSHPSA-N 1 0 249.354 2.954 10 10 BFCERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Sc2nccs2)C1 ZINC000227929390 371958206 /nfs/dbraw/zinc/95/82/06/371958206.db2.gz DOQPUJQOINTFRG-VGMNWLOBSA-N 1 0 228.386 2.751 10 10 BFCERO Oc1ccc(C[NH2+]CC2CCCCC2)c(O)c1 ZINC000037259577 183270652 /nfs/dbraw/zinc/27/06/52/183270652.db2.gz NWHZGPBUHXLKAW-UHFFFAOYSA-N 1 0 235.327 2.768 10 10 BFCERO Oc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000083376615 183270695 /nfs/dbraw/zinc/27/06/95/183270695.db2.gz RQAFEWRIZNLLJI-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO CCC[N@@H+](Cc1cc(N)ccc1O)CC1CC1 ZINC000036197756 169174138 /nfs/dbraw/zinc/17/41/38/169174138.db2.gz NXZRANSPKBQIEM-UHFFFAOYSA-N 1 0 234.343 2.596 10 10 BFCERO Oc1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000133468058 183301408 /nfs/dbraw/zinc/30/14/08/183301408.db2.gz HDDAXMZVWBMZCO-DZGCQCFKSA-N 1 0 247.338 2.536 10 10 BFCERO CCC[N@@H+]1CCC[C@H](c2ccc(O)c(O)c2)C1 ZINC000005833744 169198163 /nfs/dbraw/zinc/19/81/63/169198163.db2.gz JBPMHBLMULBWFU-LBPRGKRZSA-N 1 0 235.327 2.687 10 10 BFCERO CCC[C@H]([NH3+])c1ccc2[nH]ccc2c1O ZINC000089204359 383946322 /nfs/dbraw/zinc/94/63/22/383946322.db2.gz SUZWIQWMYLYNGP-JTQLQIEISA-N 1 0 204.273 2.673 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134237995 384340445 /nfs/dbraw/zinc/34/04/45/384340445.db2.gz VZTGJYWLBIFCSJ-LOWVWBTDSA-N 1 0 235.327 2.529 10 10 BFCERO COc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1C ZINC000052274589 385271768 /nfs/dbraw/zinc/27/17/68/385271768.db2.gz OKDWRBDVPPGTNT-CABZTGNLSA-N 1 0 205.301 2.502 10 10 BFCERO CC[C@H]([NH3+])c1c(O)ccc2ccccc21 ZINC000035068461 386975605 /nfs/dbraw/zinc/97/56/05/386975605.db2.gz KYIDHVQLJMZGNK-NSHDSACASA-N 1 0 201.269 2.955 10 10 BFCERO [NH3+][C@@H](CCF)c1ccc(N2CCCC2)cc1 ZINC000575438673 387132732 /nfs/dbraw/zinc/13/27/32/387132732.db2.gz MYLZWHJLMOLBDD-ZDUSSCGKSA-N 1 0 222.307 2.646 10 10 BFCERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1nccs1 ZINC000040677127 388017128 /nfs/dbraw/zinc/01/71/28/388017128.db2.gz URAONHNFJLWYQU-DTWKUNHWSA-N 1 0 228.386 2.753 10 10 BFCERO C[C@@H]1CCCCN1c1ccc(C[NH3+])cc1F ZINC000020469569 132331685 /nfs/dbraw/zinc/33/16/85/132331685.db2.gz LXZQPGZJBGTROI-SNVBAGLBSA-N 1 0 222.307 2.663 10 10 BFCERO CCC1CCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000042446151 132352275 /nfs/dbraw/zinc/35/22/75/132352275.db2.gz IENWJEOLLNXAFR-UHFFFAOYSA-N 1 0 236.334 2.911 10 10 BFCERO CC[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C[C@@H]1C ZINC000049693922 132356561 /nfs/dbraw/zinc/35/65/61/132356561.db2.gz OTGSUKSEYKOXJD-SWLSCSKDSA-N 1 0 248.370 2.520 10 10 BFCERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000052275009 132362216 /nfs/dbraw/zinc/36/22/16/132362216.db2.gz PTGZRIFAGQNVBD-FZMZJTMJSA-N 1 0 230.355 2.567 10 10 BFCERO CCCCOc1ccc(N2CC[NH2+]CC2)cc1C ZINC000063063271 132388446 /nfs/dbraw/zinc/38/84/46/132388446.db2.gz NNCATKKVDPTVQF-UHFFFAOYSA-N 1 0 248.370 2.584 10 10 BFCERO Cc1cc(N2CCC([NH3+])CC2)ccc1OC(C)C ZINC000063063348 132388786 /nfs/dbraw/zinc/38/87/86/132388786.db2.gz YSHBYSYVTQIPBF-UHFFFAOYSA-N 1 0 248.370 2.710 10 10 BFCERO CC[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCCCO1 ZINC000036231135 169907102 /nfs/dbraw/zinc/90/71/02/169907102.db2.gz BAQLISMJIBUWFQ-OAHLLOKOSA-N 1 0 248.370 2.660 10 10 BFCERO CC[NH2+]Cc1ccc(N2CC[C@H](C)C2)cc1 ZINC000040719240 170127571 /nfs/dbraw/zinc/12/75/71/170127571.db2.gz QXOGFEPOPBQLLT-LBPRGKRZSA-N 1 0 218.344 2.642 10 10 BFCERO CCOc1ccc(N2CC[C@H](CC[NH2+]C)C2)cc1 ZINC000077424535 170549971 /nfs/dbraw/zinc/54/99/71/170549971.db2.gz SKNHRLKBABVARU-ZDUSSCGKSA-N 1 0 248.370 2.521 10 10 BFCERO CC[C@@H]1CCN(c2ccc(OC)c(C)c2)CC[NH2+]1 ZINC000049662336 171015198 /nfs/dbraw/zinc/01/51/98/171015198.db2.gz BUMOCRHXFULWHR-CYBMUJFWSA-N 1 0 248.370 2.582 10 10 BFCERO CC[C@H](C)N(CC)c1ccc(C[NH3+])cc1F ZINC000037113620 171312692 /nfs/dbraw/zinc/31/26/92/171312692.db2.gz HBFBXGNYLKYDBC-JTQLQIEISA-N 1 0 224.323 2.909 10 10 BFCERO CC[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000019882395 171347904 /nfs/dbraw/zinc/34/79/04/171347904.db2.gz XQKQIKKLYMZIDO-DTWKUNHWSA-N 1 0 209.289 2.547 10 10 BFCERO CC[C@H]1CCC[N@H+](CCOc2ccc(N)cc2)C1 ZINC000036168649 171615903 /nfs/dbraw/zinc/61/59/03/171615903.db2.gz VJPNPESTVXWFIK-ZDUSSCGKSA-N 1 0 248.370 2.770 10 10 BFCERO CN(CC1CC1)c1ccc(C[NH3+])cc1Cl ZINC000062792971 172652706 /nfs/dbraw/zinc/65/27/06/172652706.db2.gz GLVPZRJQIZDEEE-UHFFFAOYSA-N 1 0 224.735 2.645 10 10 BFCERO C[NH2+]Cc1ccc(N2CC[C@H](C)C2)c(C)c1 ZINC000050560861 173389221 /nfs/dbraw/zinc/38/92/21/173389221.db2.gz JWENAGAWFWRHEG-NSHDSACASA-N 1 0 218.344 2.561 10 10 BFCERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(O)c1 ZINC000019945128 176088841 /nfs/dbraw/zinc/08/88/41/176088841.db2.gz IZKOCUVSLANPIC-ZYHUDNBSSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccccc1O ZINC000042597412 176910774 /nfs/dbraw/zinc/91/07/74/176910774.db2.gz HWJKCUMGVLQDDQ-OLZOCXBDSA-N 1 0 248.370 2.527 10 10 BFCERO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000071206819 177127108 /nfs/dbraw/zinc/12/71/08/177127108.db2.gz FBEPACYHYQSCMX-WFASDCNBSA-N 1 0 244.382 2.957 10 10 BFCERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000106216842 177193648 /nfs/dbraw/zinc/19/36/48/177193648.db2.gz SXFDMAYARJPDAX-UMSPYCQHSA-N 1 0 235.327 2.766 10 10 BFCERO [NH3+][C@H](CF)c1ccc2ccccc2c1O ZINC000757133534 582509991 /nfs/dbraw/zinc/50/99/91/582509991.db2.gz JKQCUYYZEYSWPY-LLVKDONJSA-N 1 0 205.232 2.515 10 10 BFCERO CC(C)Oc1ccc(N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000049710108 535000213 /nfs/dbraw/zinc/00/02/13/535000213.db2.gz CHLUYRHYACGVEU-WFASDCNBSA-N 1 0 248.370 2.647 10 10 BFCERO CCOc1ccc(N2CC[C@H]([NH2+]C)C[C@@H]2C)cc1 ZINC000049694261 535735421 /nfs/dbraw/zinc/73/54/21/535735421.db2.gz ZEOLTYOVTXRIKJ-STQMWFEESA-N 1 0 248.370 2.662 10 10 BFCERO CCOc1ccc(N2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC000083379213 535735536 /nfs/dbraw/zinc/73/55/36/535735536.db2.gz PRLCZZYOHPTZEF-HNNXBMFYSA-N 1 0 248.370 2.520 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000217678305 583172632 /nfs/dbraw/zinc/17/26/32/583172632.db2.gz JHVHSMOVCQNNMN-RWMBFGLXSA-N 1 0 249.354 2.655 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000217678136 592148671 /nfs/dbraw/zinc/14/86/71/592148671.db2.gz JHVHSMOVCQNNMN-YNEHKIRRSA-N 1 0 249.354 2.655 10 10 BFCERO Cc1cc(Cl)cc([C@H]([NH3+])C2CC2)c1O ZINC000095780192 635490742 /nfs/dbraw/zinc/49/07/42/635490742.db2.gz YSRZVHHKGIXCPF-SNVBAGLBSA-N 1 0 211.692 2.764 10 10 BFCERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000052274017 632113854 /nfs/dbraw/zinc/11/38/54/632113854.db2.gz REXLUNAFFHMVHO-COPLHBTASA-N 1 0 218.344 2.812 10 10 BFCERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000052274015 632114908 /nfs/dbraw/zinc/11/49/08/632114908.db2.gz REXLUNAFFHMVHO-UHIISALHSA-N 1 0 218.344 2.812 10 10 BFCERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000052271271 632114920 /nfs/dbraw/zinc/11/49/20/632114920.db2.gz VIRYPQQNJQHRLI-GMSGAONNSA-N 1 0 211.692 2.544 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)c(O)c1 ZINC000037163357 712549842 /nfs/dbraw/zinc/54/98/42/712549842.db2.gz YRVXDYJQRCUFAN-AVGNSLFASA-N 1 0 249.354 2.655 10 10 BFCERO Cc1cc(C[NH2+]C2CC2)ccc1N(C)C1CC1 ZINC000050560092 178019233 /nfs/dbraw/zinc/01/92/33/178019233.db2.gz IOIFBQSDHMDHMI-UHFFFAOYSA-N 1 0 230.355 2.846 10 10 BFCERO Cc1cc(N(C)[C@H](C)C2CC2)ccc1C[NH3+] ZINC000050582269 178101040 /nfs/dbraw/zinc/10/10/40/178101040.db2.gz DIUGZNLKOUVXPL-LLVKDONJSA-N 1 0 218.344 2.688 10 10 BFCERO CC(C)[NH+](Cc1cccc(O)c1O)C(C)C ZINC000039098603 343382683 /nfs/dbraw/zinc/38/26/83/343382683.db2.gz YSQHHJLQEREHAV-UHFFFAOYSA-N 1 0 223.316 2.717 10 10 BFCERO Cc1ccccc1C[NH2+]Cc1cccc(O)c1O ZINC000041117687 179283548 /nfs/dbraw/zinc/28/35/48/179283548.db2.gz HSMYVTRZQWZRLY-UHFFFAOYSA-N 1 0 243.306 2.696 10 10 BFCERO Cn1ccc2c1cccc2[C@H]1CCC[NH2+]C1 ZINC000033885037 180714427 /nfs/dbraw/zinc/71/44/27/180714427.db2.gz WHZJBEMBTDOZNO-NSHDSACASA-N 1 0 214.312 2.645 10 10 BFCERO CC(C)[N@H+](CCc1ccc(N)cc1)CC1CC1 ZINC000042562644 188120954 /nfs/dbraw/zinc/12/09/54/188120954.db2.gz MFIHZCHXNRNHJG-UHFFFAOYSA-N 1 0 232.371 2.932 10 10 BFCERO C[NH+](C)CC/C=C/CN1CCCc2ccccc21 ZINC000584631667 358314104 /nfs/dbraw/zinc/31/41/04/358314104.db2.gz JJOAPNDBAZSHAD-XVNBXDOJSA-N 1 0 244.382 2.947 10 10 BFCERO CCCc1cc(C[NH3+])c(O)c(CCC)c1 ZINC000002005349 359690499 /nfs/dbraw/zinc/69/04/99/359690499.db2.gz WLGAXACUKYLTQN-UHFFFAOYSA-N 1 0 207.317 2.756 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N(C)C)cc1Cl ZINC000070602682 361588636 /nfs/dbraw/zinc/58/86/36/361588636.db2.gz XZBUJXDWLYTSBL-MRVPVSSYSA-N 1 0 212.724 2.686 10 10 BFCERO [NH3+]Cc1ccc(N2Cc3ccccc3C2)cc1 ZINC000050909708 181484604 /nfs/dbraw/zinc/48/46/04/181484604.db2.gz SVQDCCZZJBDRRH-UHFFFAOYSA-N 1 0 224.307 2.666 10 10 BFCERO Oc1cccc(C[NH2+]Cc2ccc(F)cc2)c1O ZINC000041116393 183290964 /nfs/dbraw/zinc/29/09/64/183290964.db2.gz CEHKNQHQUVFEFJ-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO CCCN(c1ccc(C[NH3+])cc1C)C1CC1 ZINC000037733197 169182260 /nfs/dbraw/zinc/18/22/60/169182260.db2.gz JIVIMGWIBABZJL-UHFFFAOYSA-N 1 0 218.344 2.833 10 10 BFCERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000134240880 384339388 /nfs/dbraw/zinc/33/93/88/384339388.db2.gz OESQWHLIPBTFKH-ZOWXZIJZSA-N 1 0 248.370 2.581 10 10 BFCERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(F)ccc1O ZINC000087111400 384738730 /nfs/dbraw/zinc/73/87/30/384738730.db2.gz DDVQUEUQGLOFDZ-LAEOZQHASA-N 1 0 209.264 2.590 10 10 BFCERO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2C)c1O ZINC000130779247 385286475 /nfs/dbraw/zinc/28/64/75/385286475.db2.gz YBZZJCAISNNKOB-GMSGAONNSA-N 1 0 241.718 2.552 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c(O)c1 ZINC000251020030 385613230 /nfs/dbraw/zinc/61/32/30/385613230.db2.gz RQSQMPWMSDOTCC-GVXVVHGQSA-N 1 0 235.327 2.529 10 10 BFCERO [NH3+][C@@H](CCF)c1ccc(Br)cc1O ZINC000575439566 387124287 /nfs/dbraw/zinc/12/42/87/387124287.db2.gz HOGOTGIFUGSBAR-QMMMGPOBSA-N 1 0 248.095 2.514 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000248747668 387140519 /nfs/dbraw/zinc/14/05/19/387140519.db2.gz FFRVRWRVIAHEOR-SLEUVZQESA-N 1 0 249.354 2.919 10 10 BFCERO CC[C@@H]1CCCN(c2ccc(C[NH3+])cc2)C1 ZINC000036168558 132340186 /nfs/dbraw/zinc/34/01/86/132340186.db2.gz ATGTWQABWIZRSD-GFCCVEGCSA-N 1 0 218.344 2.772 10 10 BFCERO Cc1cc(C[NH3+])ccc1N1CCCC[C@H]1C ZINC000037733129 132345252 /nfs/dbraw/zinc/34/52/52/132345252.db2.gz QZVMDMKHEYTKAU-GFCCVEGCSA-N 1 0 218.344 2.833 10 10 BFCERO CCO[C@@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000042422858 132351713 /nfs/dbraw/zinc/35/17/13/132351713.db2.gz MDCHVFVFUFWTPS-IUODEOHRSA-N 1 0 248.370 2.712 10 10 BFCERO CCOCCN(CC)c1ccc([C@H](C)[NH3+])cc1 ZINC000104186854 170395605 /nfs/dbraw/zinc/39/56/05/170395605.db2.gz MFYSMKODCPSZIY-LBPRGKRZSA-N 1 0 236.359 2.569 10 10 BFCERO CC[C@@H]1CCN(c2ccc(OC)cc2)CCC[NH2+]1 ZINC000049662779 171014189 /nfs/dbraw/zinc/01/41/89/171014189.db2.gz XVIPCPXXVAWFOV-CYBMUJFWSA-N 1 0 248.370 2.664 10 10 BFCERO CN1CCc2cc(C[NH2+]C3CCCC3)ccc21 ZINC000050285786 173170284 /nfs/dbraw/zinc/17/02/84/173170284.db2.gz GYQLJWIMQAXNGQ-UHFFFAOYSA-N 1 0 230.355 2.711 10 10 BFCERO C[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000049716443 173388773 /nfs/dbraw/zinc/38/87/73/173388773.db2.gz JDLWLWYKCBFZGI-NWDGAFQWSA-N 1 0 234.318 2.534 10 10 BFCERO C[NH2+]Cc1ccc(N2CCC[C@@H]2C)c(F)c1 ZINC000037911781 173389182 /nfs/dbraw/zinc/38/91/82/173389182.db2.gz JACQWPWMNXYRTR-JTQLQIEISA-N 1 0 222.307 2.534 10 10 BFCERO COCC[N@H+](Cc1ccc(N)cc1)[C@H](C)C1CC1 ZINC000042613978 174300081 /nfs/dbraw/zinc/30/00/81/174300081.db2.gz VAROXXQNDQXBDO-GFCCVEGCSA-N 1 0 248.370 2.516 10 10 BFCERO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(N)ccc1O ZINC000042601657 176078970 /nfs/dbraw/zinc/07/89/70/176078970.db2.gz AJBZQPXKRCRLQT-RISCZKNCSA-N 1 0 248.370 2.985 10 10 BFCERO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(N)cc1 ZINC000037909951 176109250 /nfs/dbraw/zinc/10/92/50/176109250.db2.gz FBHYLOHAZWGJIM-GFCCVEGCSA-N 1 0 234.343 2.522 10 10 BFCERO C[C@@H]1CCCN1c1ccc(C[NH2+]C2CC2)cc1 ZINC000037911770 176111078 /nfs/dbraw/zinc/11/10/78/176111078.db2.gz XTSDEJHICLKDGQ-GFCCVEGCSA-N 1 0 230.355 2.927 10 10 BFCERO C[C@H]([NH3+])c1ccc(N(C)Cc2cscn2)cc1 ZINC000042866313 176776478 /nfs/dbraw/zinc/77/64/78/176776478.db2.gz WDHLYBXMPLNYBU-JTQLQIEISA-N 1 0 247.367 2.799 10 10 BFCERO C[C@H]1CCC[N@H+](CCOc2ccc(N)cc2)CC1 ZINC000104362033 177100573 /nfs/dbraw/zinc/10/05/73/177100573.db2.gz UBZZFUAIMVQWNK-ZDUSSCGKSA-N 1 0 248.370 2.770 10 10 BFCERO C[C@H]1CCCN1c1ccc(C[NH3+])cc1Cl ZINC000062792965 177111675 /nfs/dbraw/zinc/11/16/75/177111675.db2.gz XXMCHOKUROJCGS-VIFPVBQESA-N 1 0 224.735 2.787 10 10 BFCERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(N)ccc1O ZINC000037272655 177117548 /nfs/dbraw/zinc/11/75/48/177117548.db2.gz XVUIYLZBXYZCSG-PHIMTYICSA-N 1 0 234.343 2.737 10 10 BFCERO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCOc1ccc(N)cc1 ZINC000051729152 177159845 /nfs/dbraw/zinc/15/98/45/177159845.db2.gz PEQPNARGKPUFJY-QWHCGFSZSA-N 1 0 248.370 2.768 10 10 BFCERO C[C@H]1CCN(c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000061845960 177171345 /nfs/dbraw/zinc/17/13/45/177171345.db2.gz YKUUWAGJWHXASO-VIFPVBQESA-N 1 0 224.735 2.645 10 10 BFCERO CC(C)Oc1ccc(N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000049710133 534999403 /nfs/dbraw/zinc/99/94/03/534999403.db2.gz FVAMBSFCQKEZGV-OLZOCXBDSA-N 1 0 248.370 2.790 10 10 BFCERO C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000034666825 536350943 /nfs/dbraw/zinc/35/09/43/536350943.db2.gz RLEOITLXTKBQOY-LBPRGKRZSA-N 1 0 218.344 2.957 10 10 BFCERO CN1CCCc2cc(C[NH2+][C@@H]3CC3(C)C)ccc21 ZINC000050286954 536396781 /nfs/dbraw/zinc/39/67/81/536396781.db2.gz UNYLAKCSLKGVSW-OAHLLOKOSA-N 1 0 244.382 2.957 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N2C[C@@H](C)OC[C@H]2C)cc1 ZINC000035786921 536406750 /nfs/dbraw/zinc/40/67/50/536406750.db2.gz ZGHKBLCGLVWCPW-JHJVBQTASA-N 1 0 248.370 2.581 10 10 BFCERO C[NH2+]Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000034824027 536469488 /nfs/dbraw/zinc/46/94/88/536469488.db2.gz UWIIXINPNOQPJM-CHWSQXEVSA-N 1 0 232.371 2.888 10 10 BFCERO COc1cc(Cl)cc([C@@H]([NH3+])C(C)C)c1O ZINC000757133783 586427082 /nfs/dbraw/zinc/42/70/82/586427082.db2.gz XQPCXNFZEZRXEE-JTQLQIEISA-N 1 0 229.707 2.710 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c(O)c1 ZINC000020208725 590086095 /nfs/dbraw/zinc/08/60/95/590086095.db2.gz YSNBEKJXEGUTRR-HUBLWGQQSA-N 1 0 249.354 2.919 10 10 BFCERO CC[C@H]([NH2+]Cc1ccccc1O)[C@H]1C[C@@H]1C ZINC000321955066 636783800 /nfs/dbraw/zinc/78/38/00/636783800.db2.gz XODCXXWORYBHBP-DRZSPHRISA-N 1 0 219.328 2.916 10 10 BFCERO CSC1CC([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000708290742 712185636 /nfs/dbraw/zinc/18/56/36/712185636.db2.gz WVFQDZABPHZCFH-HTAVTVPLSA-N 1 0 249.379 2.863 10 10 BFCERO Nc1cccc2c(N)c3ccccc3[nH+]c12 ZINC000139343714 361758569 /nfs/dbraw/zinc/75/85/69/361758569.db2.gz GMEWCSYWIUXOPR-UHFFFAOYSA-N 1 0 209.252 2.552 10 10 BFCERO CCC(CC)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000019883907 168391514 /nfs/dbraw/zinc/39/15/14/168391514.db2.gz QTSMYPCWLMAISM-VIFPVBQESA-N 1 0 223.316 2.937 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N(C)C)c(Br)c1 ZINC000061694502 398343500 /nfs/dbraw/zinc/34/35/00/398343500.db2.gz RQNZNUPPOXJJQG-SSDOTTSWSA-N 1 0 243.148 2.535 10 10 BFCERO CCOc1cccc(C[NH2+][C@@H](C)C(C)C)c1O ZINC000020523217 342989507 /nfs/dbraw/zinc/98/95/07/342989507.db2.gz IQLFTVZYPLJGFJ-NSHDSACASA-N 1 0 237.343 2.925 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000249925765 178805525 /nfs/dbraw/zinc/80/55/25/178805525.db2.gz ZVWYNTPCMRXARP-SCVCMEIPSA-N 1 0 205.301 2.760 10 10 BFCERO COc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1C ZINC000052274592 490666701 /nfs/dbraw/zinc/66/67/01/490666701.db2.gz OKDWRBDVPPGTNT-SKDRFNHKSA-N 1 0 205.301 2.502 10 10 BFCERO C[NH2+]Cc1ccc(N(C)[C@H](C)C2CC2)c(F)c1 ZINC000036786075 188112978 /nfs/dbraw/zinc/11/29/78/188112978.db2.gz ZIPQLJLJFQEIPQ-SNVBAGLBSA-N 1 0 236.334 2.780 10 10 BFCERO CC(C)[N@H+](CC1CC1)c1ccc(N)cc1 ZINC000058989231 188183638 /nfs/dbraw/zinc/18/36/38/188183638.db2.gz JNPVAOLQNXHRDP-UHFFFAOYSA-N 1 0 204.317 2.894 10 10 BFCERO [NH3+]C1CCC(Sc2nccs2)CC1 ZINC000055143814 181342236 /nfs/dbraw/zinc/34/22/36/181342236.db2.gz NVQSYTGDPNFCHP-UHFFFAOYSA-N 1 0 214.359 2.505 10 10 BFCERO CC[NH+](CC)CCCc1ccc(N)cc1 ZINC000020192319 371241297 /nfs/dbraw/zinc/24/12/97/371241297.db2.gz KPTHRKNNBQCZKK-UHFFFAOYSA-N 1 0 206.333 2.543 10 10 BFCERO Oc1ccc(C(F)(F)F)cc1[C@H]1CCC[NH2+]1 ZINC000072202479 183267305 /nfs/dbraw/zinc/26/73/05/183267305.db2.gz XROCAHQUWMFVBZ-SECBINFHSA-N 1 0 231.217 2.836 10 10 BFCERO Oc1ccc(C[NH2+]Cc2cccc(F)c2)cc1O ZINC000020473448 183270091 /nfs/dbraw/zinc/27/00/91/183270091.db2.gz MTVPZVRUZQDSGY-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO Oc1ccc(C[NH2+]CC2CCCCC2)cc1O ZINC000037248321 183270697 /nfs/dbraw/zinc/27/06/97/183270697.db2.gz ZISSFPOTPVDJHL-UHFFFAOYSA-N 1 0 235.327 2.768 10 10 BFCERO CCC[N@@H+]1CCC=C(c2ccc(O)c(O)c2)C1 ZINC000033885193 169191325 /nfs/dbraw/zinc/19/13/25/169191325.db2.gz LZLHHGMZVHHARG-UHFFFAOYSA-N 1 0 233.311 2.597 10 10 BFCERO COc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1C ZINC000052274590 385271298 /nfs/dbraw/zinc/27/12/98/385271298.db2.gz OKDWRBDVPPGTNT-BXKDBHETSA-N 1 0 205.301 2.502 10 10 BFCERO Cc1cc(C(C)(C)C)c(O)c2c1CC[C@@H]2[NH3+] ZINC000026166801 386082834 /nfs/dbraw/zinc/08/28/34/386082834.db2.gz VUAHUUAUIXSABC-NSHDSACASA-N 1 0 219.328 2.944 10 10 BFCERO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H]1CCCO1 ZINC000295794906 388415049 /nfs/dbraw/zinc/41/50/49/388415049.db2.gz BUNBXFQHOVXTSM-ZKYQVNSYSA-N 1 0 247.338 2.537 10 10 BFCERO [NH3+]C[C@H]1CCCC[C@H]1Sc1nccs1 ZINC000040677125 388424513 /nfs/dbraw/zinc/42/45/13/388424513.db2.gz URAONHNFJLWYQU-RKDXNWHRSA-N 1 0 228.386 2.753 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000019872608 132328525 /nfs/dbraw/zinc/32/85/25/132328525.db2.gz ZADMPMUGAJEOMS-SNVBAGLBSA-N 1 0 222.307 2.836 10 10 BFCERO Cc1cc(C[NH3+])ccc1N1CCC(C)CC1 ZINC000037733125 132345391 /nfs/dbraw/zinc/34/53/91/132345391.db2.gz KVCPKUUWFAZOND-UHFFFAOYSA-N 1 0 218.344 2.690 10 10 BFCERO CC[C@H]1CO[C@@H](C)CN1c1ccc([C@@H](C)[NH3+])cc1 ZINC000042450920 132352292 /nfs/dbraw/zinc/35/22/92/132352292.db2.gz FJQCNRRDENOIJX-SCRDCRAPSA-N 1 0 248.370 2.710 10 10 BFCERO C[NH2+][C@H]1CCN(c2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000049713986 132358050 /nfs/dbraw/zinc/35/80/50/132358050.db2.gz VKXXNVJYQKPTCE-STQMWFEESA-N 1 0 248.370 2.580 10 10 BFCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccccc1O ZINC000251857041 135079336 /nfs/dbraw/zinc/07/93/36/135079336.db2.gz NWWHRGQOGUVWMC-DNVSUFBTSA-N 1 0 247.338 2.610 10 10 BFCERO CC(C)[NH2+]C[C@H]1CCCc2cc(O)c(O)cc21 ZINC000027883060 167115735 /nfs/dbraw/zinc/11/57/35/167115735.db2.gz OCFBOKLDUXHEDQ-LLVKDONJSA-N 1 0 235.327 2.516 10 10 BFCERO CC(C)Oc1ccc(N(C)[C@@H](C)CC[NH3+])cc1 ZINC000049828332 167295693 /nfs/dbraw/zinc/29/56/93/167295693.db2.gz BLDPZJHZJPDAHO-LBPRGKRZSA-N 1 0 236.359 2.647 10 10 BFCERO CCN(CC)c1ccc([C@H](C)[NH3+])cc1F ZINC000019871985 169805035 /nfs/dbraw/zinc/80/50/35/169805035.db2.gz RQVKDUSPQDTRQR-VIFPVBQESA-N 1 0 210.296 2.692 10 10 BFCERO CC[NH2+]C(C)(C)CN(C)c1ccc(OC)cc1 ZINC000061299931 170107481 /nfs/dbraw/zinc/10/74/81/170107481.db2.gz BFMWRYPXQXAXMI-UHFFFAOYSA-N 1 0 236.359 2.520 10 10 BFCERO CC[NH2+]Cc1cc(F)c(N(CC)CC)c(F)c1 ZINC000062709003 170125212 /nfs/dbraw/zinc/12/52/12/170125212.db2.gz QCNRXGWVEAWBND-UHFFFAOYSA-N 1 0 242.313 2.921 10 10 BFCERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2C)cc1 ZINC000037911764 170127034 /nfs/dbraw/zinc/12/70/34/170127034.db2.gz IRJRHEFVJHDVBK-LBPRGKRZSA-N 1 0 218.344 2.785 10 10 BFCERO CC[C@@H]1CC[NH2+][C@@H]1c1ccc(N(C)C)cc1 ZINC000003733029 171027417 /nfs/dbraw/zinc/02/74/17/171027417.db2.gz JBQBONWOKLHFQK-RISCZKNCSA-N 1 0 218.344 2.813 10 10 BFCERO CC[C@H]1CC[NH2+][C@H]1c1ccc(N(C)C)cc1 ZINC000003733026 171639016 /nfs/dbraw/zinc/63/90/16/171639016.db2.gz JBQBONWOKLHFQK-SMDDNHRTSA-N 1 0 218.344 2.813 10 10 BFCERO C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1O ZINC000022143353 173457353 /nfs/dbraw/zinc/45/73/53/173457353.db2.gz VNVNTUIZUSGTRZ-OAHLLOKOSA-N 1 0 243.306 2.710 10 10 BFCERO COc1ccc(C[NH2+]Cc2cccs2)c(O)c1 ZINC000040905956 175107974 /nfs/dbraw/zinc/10/79/74/175107974.db2.gz LWJRAHSWOPNWAY-UHFFFAOYSA-N 1 0 249.335 2.752 10 10 BFCERO COc1ccc(N2CCC[NH2+][C@H](C)CC2)cc1C ZINC000049667102 175139340 /nfs/dbraw/zinc/13/93/40/175139340.db2.gz JXXNGSQCNWYFHA-CYBMUJFWSA-N 1 0 248.370 2.582 10 10 BFCERO COc1ccc(N2CC[C@@H](C)[NH2+][C@H](C)CC2)cc1 ZINC000049662796 175139829 /nfs/dbraw/zinc/13/98/29/175139829.db2.gz OVBNYNXGSAULSL-CHWSQXEVSA-N 1 0 248.370 2.662 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccoc2)cc1 ZINC000042448315 175816835 /nfs/dbraw/zinc/81/68/35/175816835.db2.gz CEVBEILJTYZCND-LLVKDONJSA-N 1 0 230.311 2.936 10 10 BFCERO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(O)cc1O ZINC000040492515 175864009 /nfs/dbraw/zinc/86/40/09/175864009.db2.gz QVPNOASNSUNJHF-SECBINFHSA-N 1 0 223.316 2.795 10 10 BFCERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(O)c1 ZINC000019945122 176081125 /nfs/dbraw/zinc/08/11/25/176081125.db2.gz IZKOCUVSLANPIC-PWSUYJOCSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@@H]1CCC[N@H+](CCOc2ccc(N)cc2)[C@@H]1C ZINC000050563142 176098848 /nfs/dbraw/zinc/09/88/48/176098848.db2.gz XZSYVMAMLOSVPP-CHWSQXEVSA-N 1 0 248.370 2.768 10 10 BFCERO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC000106216849 177193085 /nfs/dbraw/zinc/19/30/85/177193085.db2.gz OZTQCPDRSLLLEX-UMSPYCQHSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC000106216845 177193687 /nfs/dbraw/zinc/19/36/87/177193687.db2.gz NDATXXXFMZVPDC-UMSPYCQHSA-N 1 0 235.327 2.766 10 10 BFCERO CC(C)Oc1ccc(N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000049710129 535000520 /nfs/dbraw/zinc/00/05/20/535000520.db2.gz FVAMBSFCQKEZGV-CHWSQXEVSA-N 1 0 248.370 2.790 10 10 BFCERO CCO[C@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000042422859 535621577 /nfs/dbraw/zinc/62/15/77/535621577.db2.gz MDCHVFVFUFWTPS-DOMZBBRYSA-N 1 0 248.370 2.712 10 10 BFCERO CC[C@H]1CN(c2ccc(OC)cc2)[C@@H](CC)C[NH2+]1 ZINC000083379458 536160374 /nfs/dbraw/zinc/16/03/74/536160374.db2.gz BICRVSRPZHQMEF-STQMWFEESA-N 1 0 248.370 2.662 10 10 BFCERO CC[C@H]1CN(c2ccc([C@@H](C)[NH2+]C)cc2)CCO1 ZINC000036770067 536161925 /nfs/dbraw/zinc/16/19/25/536161925.db2.gz RZPLOJTYTGJJAI-DOMZBBRYSA-N 1 0 248.370 2.582 10 10 BFCERO CC[C@H]1CO[C@H](C)CN1c1ccc([C@@H](C)[NH3+])cc1 ZINC000042450916 536171179 /nfs/dbraw/zinc/17/11/79/536171179.db2.gz FJQCNRRDENOIJX-BZPMIXESSA-N 1 0 248.370 2.710 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000034666826 536406522 /nfs/dbraw/zinc/40/65/22/536406522.db2.gz RLEOITLXTKBQOY-GFCCVEGCSA-N 1 0 218.344 2.957 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N2C[C@H](C)OC[C@H]2C)cc1 ZINC000035786925 536406635 /nfs/dbraw/zinc/40/66/35/536406635.db2.gz ZGHKBLCGLVWCPW-FRRDWIJNSA-N 1 0 248.370 2.581 10 10 BFCERO Cc1cc([C@H]([NH3+])C(C)(C)C)c(O)cc1F ZINC000757146454 582530224 /nfs/dbraw/zinc/53/02/24/582530224.db2.gz UOHWPGNAOCNBMS-NSHDSACASA-N 1 0 211.280 2.886 10 10 BFCERO Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000310845403 633010530 /nfs/dbraw/zinc/01/05/30/633010530.db2.gz LIVPRMQXJYUTHC-STQMWFEESA-N 1 0 247.338 2.538 10 10 BFCERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000040502176 633817209 /nfs/dbraw/zinc/81/72/09/633817209.db2.gz GAXWKJCTNBUXGN-QWHCGFSZSA-N 1 0 248.370 2.527 10 10 BFCERO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H]1C[C@H]1C ZINC000321955067 636783618 /nfs/dbraw/zinc/78/36/18/636783618.db2.gz XODCXXWORYBHBP-RTXFEEFZSA-N 1 0 219.328 2.916 10 10 BFCERO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1C[C@H]1C ZINC000322068446 636794088 /nfs/dbraw/zinc/79/40/88/636794088.db2.gz SCFIAYOKWWRGIP-FOGDFJRCSA-N 1 0 205.301 2.526 10 10 BFCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000231673074 641191942 /nfs/dbraw/zinc/19/19/42/641191942.db2.gz PTBLODJFRXYBLV-TZMCWYRMSA-N 1 0 231.339 2.900 10 10 BFCERO Cc1ccc(O)c([C@H]([NH3+])c2ccccc2)c1 ZINC000238530231 642817779 /nfs/dbraw/zinc/81/77/79/642817779.db2.gz VTZXYHOEPKJIGE-CQSZACIVSA-N 1 0 213.280 2.749 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)c(O)c1 ZINC000249871108 644743597 /nfs/dbraw/zinc/74/35/97/644743597.db2.gz JWEHRDPNRSPEHB-SCVCMEIPSA-N 1 0 205.301 2.760 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)c(O)c1 ZINC000037163351 712549754 /nfs/dbraw/zinc/54/97/54/712549754.db2.gz YRVXDYJQRCUFAN-XQQFMLRXSA-N 1 0 249.354 2.655 10 10 BFCERO Cc1cc(N(C)CC2CCC2)ccc1C[NH3+] ZINC000061480656 178097598 /nfs/dbraw/zinc/09/75/98/178097598.db2.gz VIJLEFZRAGRFID-UHFFFAOYSA-N 1 0 218.344 2.690 10 10 BFCERO CCC(CC)[N@H+](C)CCOc1ccc(N)cc1 ZINC000036788402 168369708 /nfs/dbraw/zinc/36/97/08/168369708.db2.gz FGAVUJFIQJTMBL-UHFFFAOYSA-N 1 0 236.359 2.768 10 10 BFCERO Cc1ccc(C[NH2+]Cc2ccc(O)cc2O)s1 ZINC000050225177 178615294 /nfs/dbraw/zinc/61/52/94/178615294.db2.gz SKXQQUKICYXZKP-UHFFFAOYSA-N 1 0 249.335 2.758 10 10 BFCERO CC[C@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000042584800 344459263 /nfs/dbraw/zinc/45/92/63/344459263.db2.gz CLEKWYCRMAKIJH-LBPRGKRZSA-N 1 0 207.317 2.916 10 10 BFCERO CC[NH+](CC)C[C@H]1CCCc2c(O)c(O)ccc21 ZINC000029203126 344495834 /nfs/dbraw/zinc/49/58/34/344495834.db2.gz OWFYHUNHZKANBP-LLVKDONJSA-N 1 0 249.354 2.860 10 10 BFCERO Nc1ccc(C[C@H]([NH3+])c2ccccc2)cc1 ZINC000034145965 345817575 /nfs/dbraw/zinc/81/75/75/345817575.db2.gz LCYDMRJUQLEWFA-AWEZNQCLSA-N 1 0 212.296 2.511 10 10 BFCERO Cc1ccccc1C[NH2+]Cc1ccc(O)c(O)c1 ZINC000037487168 179282882 /nfs/dbraw/zinc/28/28/82/179282882.db2.gz ODSPKPHUOCABLT-UHFFFAOYSA-N 1 0 243.306 2.696 10 10 BFCERO C=COCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628937 188111428 /nfs/dbraw/zinc/11/14/28/188111428.db2.gz JJJPBAMPYBUBQL-GFCCVEGCSA-N 1 0 235.327 2.901 10 10 BFCERO COc1ccc([C@@H](C)[NH2+]C2CCC2)c(O)c1 ZINC000052207563 188126294 /nfs/dbraw/zinc/12/62/94/188126294.db2.gz RLUPZRDPNQRTDK-SECBINFHSA-N 1 0 221.300 2.604 10 10 BFCERO CC(C)N(C)c1ccc([C@H](C)[NH3+])cc1F ZINC000019872423 188174142 /nfs/dbraw/zinc/17/41/42/188174142.db2.gz SDJIRWNCEUIHQD-VIFPVBQESA-N 1 0 210.296 2.690 10 10 BFCERO N#[N+]CC(=O)[C@@H]1CCC2(C1)CCCCCC2 ZINC000584603584 358262492 /nfs/dbraw/zinc/26/24/92/358262492.db2.gz GWHHMDBCVCBGCC-LLVKDONJSA-N 1 0 220.316 2.997 10 10 BFCERO Nc1c2ccccc2[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000006117617 369031949 /nfs/dbraw/zinc/03/19/49/369031949.db2.gz QFSMBYCXODQZJA-UHFFFAOYSA-N 1 0 239.234 2.878 10 10 BFCERO Cc1c(O)c(C[NH3+])c(Cl)c(C)c1Cl ZINC000029217682 371732413 /nfs/dbraw/zinc/73/24/13/371732413.db2.gz QQPBXLMJHJMAAR-UHFFFAOYSA-N 1 0 220.099 2.775 10 10 BFCERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Sc2nccs2)C1 ZINC000227929381 371958033 /nfs/dbraw/zinc/95/80/33/371958033.db2.gz DOQPUJQOINTFRG-HLTSFMKQSA-N 1 0 228.386 2.751 10 10 BFCERO Oc1ccc(F)cc1[C@H]1CCCCC[NH2+]1 ZINC000075868614 183274833 /nfs/dbraw/zinc/27/48/33/183274833.db2.gz DRIKAWLQIMXINS-LLVKDONJSA-N 1 0 209.264 2.736 10 10 BFCERO Oc1cc(Br)ccc1[C@H]1CCC[NH2+]1 ZINC000072202747 183256182 /nfs/dbraw/zinc/25/61/82/183256182.db2.gz FCKNXPOYFLEVJX-SECBINFHSA-N 1 0 242.116 2.579 10 10 BFCERO CCC[NH+](CCC)CCc1ccc(O)c(O)c1 ZINC000002539818 169147768 /nfs/dbraw/zinc/14/77/68/169147768.db2.gz LMYSNFBROWBKMB-UHFFFAOYSA-N 1 0 237.343 2.762 10 10 BFCERO CCC[NH2+][C@@H]1CCN(c2ccc(OC)c(C)c2)C1 ZINC000049530923 169282788 /nfs/dbraw/zinc/28/27/88/169282788.db2.gz LRKAZMLXOTXFMT-CYBMUJFWSA-N 1 0 248.370 2.582 10 10 BFCERO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H]2C)c1O ZINC000130778853 385284311 /nfs/dbraw/zinc/28/43/11/385284311.db2.gz YBZZJCAISNNKOB-XCBNKYQSSA-N 1 0 241.718 2.552 10 10 BFCERO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]2C)c1O ZINC000130779442 385285809 /nfs/dbraw/zinc/28/58/09/385285809.db2.gz YBZZJCAISNNKOB-OIBJUYFYSA-N 1 0 241.718 2.552 10 10 BFCERO [NH3+][C@H](CCF)c1ccc(N2CCCC2)cc1 ZINC000575438670 387131762 /nfs/dbraw/zinc/13/17/62/387131762.db2.gz MYLZWHJLMOLBDD-CYBMUJFWSA-N 1 0 222.307 2.646 10 10 BFCERO CC[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1O ZINC000071445273 388093438 /nfs/dbraw/zinc/09/34/38/388093438.db2.gz PPURKQUFLVPWEL-MRVPVSSYSA-N 1 0 219.206 2.821 10 10 BFCERO [NH3+]Cc1ccc(N2CCc3ccccc3C2)cc1 ZINC000011757252 132320425 /nfs/dbraw/zinc/32/04/25/132320425.db2.gz KIOZCTLKIJUQOD-UHFFFAOYSA-N 1 0 238.334 2.708 10 10 BFCERO C[C@H]([NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000019872610 132328584 /nfs/dbraw/zinc/32/85/84/132328584.db2.gz ZADMPMUGAJEOMS-JTQLQIEISA-N 1 0 222.307 2.836 10 10 BFCERO Cc1cc(N2CCCC[C@@H]2C)ccc1C[NH3+] ZINC000050580985 132359256 /nfs/dbraw/zinc/35/92/56/132359256.db2.gz NNTSHYRJZJYHKW-LBPRGKRZSA-N 1 0 218.344 2.833 10 10 BFCERO CC(C)[NH2+]C[C@H]1CCCc2c(O)c(O)ccc21 ZINC000029208274 167115490 /nfs/dbraw/zinc/11/54/90/167115490.db2.gz TYFSFKDRNAFNQF-SNVBAGLBSA-N 1 0 235.327 2.516 10 10 BFCERO CC(C)Oc1ccc(N(C)C[C@@H](C)C[NH3+])cc1 ZINC000049828330 167296079 /nfs/dbraw/zinc/29/60/79/167296079.db2.gz CZQRDAUYSOQCDR-LBPRGKRZSA-N 1 0 236.359 2.505 10 10 BFCERO CC(C)[C@@H](C)[N@H+](C)CCOc1ccc(N)cc1 ZINC000036786423 167367399 /nfs/dbraw/zinc/36/73/99/167367399.db2.gz PPTDGVCXHTUCGM-GFCCVEGCSA-N 1 0 236.359 2.624 10 10 BFCERO CC1CC[NH+](CCCOc2ccc(N)cc2)CC1 ZINC000019731920 168178605 /nfs/dbraw/zinc/17/86/05/168178605.db2.gz PLVSKCKQUNJQLB-UHFFFAOYSA-N 1 0 248.370 2.770 10 10 BFCERO CC[C@H](C)N(C)c1ccc(C[NH3+])cc1C ZINC000037733201 171309029 /nfs/dbraw/zinc/30/90/29/171309029.db2.gz FJBWTZLVXXXDOI-NSHDSACASA-N 1 0 206.333 2.688 10 10 BFCERO CC[C@H](C)N(C)c1ccc(C[NH3+])cc1F ZINC000037110659 171310318 /nfs/dbraw/zinc/31/03/18/171310318.db2.gz UAWCGSIIJMJBNC-VIFPVBQESA-N 1 0 210.296 2.519 10 10 BFCERO CN(CC1CC1)c1ccc(C[NH3+])c(Cl)c1 ZINC000061845926 172653058 /nfs/dbraw/zinc/65/30/58/172653058.db2.gz YANJZOYOCNTBNH-UHFFFAOYSA-N 1 0 224.735 2.645 10 10 BFCERO CN(CCC[NH3+])c1ccc(OC2CCCC2)cc1 ZINC000107293955 172703049 /nfs/dbraw/zinc/70/30/49/172703049.db2.gz GHJJFAFMXNMIEE-UHFFFAOYSA-N 1 0 248.370 2.793 10 10 BFCERO C[NH2+]CCN(C)c1ccc(OC(C)(C)C)cc1 ZINC000107290851 173353983 /nfs/dbraw/zinc/35/39/83/173353983.db2.gz PHNYQDXVKAQQQG-UHFFFAOYSA-N 1 0 236.359 2.520 10 10 BFCERO C[NH2+]Cc1ccc(N2CC[C@H](C)C2)cc1C ZINC000050582904 173388999 /nfs/dbraw/zinc/38/89/99/173388999.db2.gz WHIDMAPKIXJURO-NSHDSACASA-N 1 0 218.344 2.561 10 10 BFCERO COCCN(c1ccc(N)cc1)[C@@H](C)C1CC1 ZINC000059001806 174302748 /nfs/dbraw/zinc/30/27/48/174302748.db2.gz VWVXUZNWYGKQCF-NSHDSACASA-N 1 0 234.343 2.520 10 10 BFCERO COc1ccc(N(C)CCC[NH2+]C(C)C)cc1 ZINC000049969901 175136196 /nfs/dbraw/zinc/13/61/96/175136196.db2.gz AXVPTYNQBXTHSC-UHFFFAOYSA-N 1 0 236.359 2.520 10 10 BFCERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1O ZINC000041116397 176081073 /nfs/dbraw/zinc/08/10/73/176081073.db2.gz DCMINFRCJKWJJU-PWSUYJOCSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000134240836 176900122 /nfs/dbraw/zinc/90/01/22/176900122.db2.gz OESQWHLIPBTFKH-YWPYICTPSA-N 1 0 248.370 2.581 10 10 BFCERO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(N)ccc1O ZINC000042601659 177081222 /nfs/dbraw/zinc/08/12/22/177081222.db2.gz AJBZQPXKRCRLQT-FZMZJTMJSA-N 1 0 248.370 2.985 10 10 BFCERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1O ZINC000019945224 177088871 /nfs/dbraw/zinc/08/88/71/177088871.db2.gz HMYOQRZLTJOFSP-GXFFZTMASA-N 1 0 235.327 2.766 10 10 BFCERO C[C@H]1CCCN1c1ccc(C[NH3+])c(Cl)c1 ZINC000061845921 177112140 /nfs/dbraw/zinc/11/21/40/177112140.db2.gz XKIRKQSJDYQNND-VIFPVBQESA-N 1 0 224.735 2.787 10 10 BFCERO CC(C)Oc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049710106 534999950 /nfs/dbraw/zinc/99/99/50/534999950.db2.gz CHLUYRHYACGVEU-DOMZBBRYSA-N 1 0 248.370 2.647 10 10 BFCERO CCOc1ccc(N2CC[C@H]([NH2+]C)[C@H](C)C2)cc1 ZINC000049694251 535735365 /nfs/dbraw/zinc/73/53/65/535735365.db2.gz BLSFVNMDVJEXQX-DOMZBBRYSA-N 1 0 248.370 2.520 10 10 BFCERO Cc1cc(O)c([C@@H](C)[NH3+])c(C)c1Br ZINC000095717473 635485522 /nfs/dbraw/zinc/48/55/22/635485522.db2.gz YAIRIJARINKUIA-SSDOTTSWSA-N 1 0 244.132 2.791 10 10 BFCERO Cc1cc(Cl)cc([C@@H]([NH3+])C2CC2)c1O ZINC000095768713 635489940 /nfs/dbraw/zinc/48/99/40/635489940.db2.gz YSRZVHHKGIXCPF-JTQLQIEISA-N 1 0 211.692 2.764 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c(O)c1 ZINC000052271970 632822192 /nfs/dbraw/zinc/82/21/92/632822192.db2.gz JWEHRDPNRSPEHB-JBLDHEPKSA-N 1 0 205.301 2.760 10 10 BFCERO Cc1ccc(O)c([C@@H]([NH3+])c2ccccc2)c1 ZINC000238529410 642818007 /nfs/dbraw/zinc/81/80/07/642818007.db2.gz VTZXYHOEPKJIGE-AWEZNQCLSA-N 1 0 213.280 2.749 10 10 BFCERO CC(C)[C@H]([NH3+])c1cc(Br)ccc1O ZINC000084554253 643667983 /nfs/dbraw/zinc/66/79/83/643667983.db2.gz RWZAIJHVWWDROR-JTQLQIEISA-N 1 0 244.132 2.811 10 10 BFCERO Cc1cc(C)c(O)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000125094066 711716984 /nfs/dbraw/zinc/71/69/84/711716984.db2.gz ZUMIQWLWINMRLL-CHWSQXEVSA-N 1 0 249.354 2.618 10 10 BFCERO COCC1CC([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000713987566 712476583 /nfs/dbraw/zinc/47/65/83/712476583.db2.gz ZUONBMRVEBYEJG-HIFPTAJRSA-N 1 0 249.354 2.776 10 10 BFCERO Nc1cccc2[nH+]c3ccccc3c(N)c12 ZINC000005422173 346218696 /nfs/dbraw/zinc/21/86/96/346218696.db2.gz NDNCMVVGTGZIMI-UHFFFAOYSA-N 1 0 209.252 2.552 10 10 BFCERO Cc1cccc(C[N@@H+]2CCS[C@@H](C)C2)c1O ZINC000180041348 179080087 /nfs/dbraw/zinc/08/00/87/179080087.db2.gz QBOTTYODLFPWMP-NSHDSACASA-N 1 0 237.368 2.638 10 10 BFCERO CC[NH+](CC)Cc1cc(N)c2ccccc2c1O ZINC000196819958 348030385 /nfs/dbraw/zinc/03/03/85/348030385.db2.gz IMPSXANDTQSLMH-UHFFFAOYSA-N 1 0 244.338 2.969 10 10 BFCERO [NH3+]Cc1ccccc1Sc1nccs1 ZINC000040677105 188118026 /nfs/dbraw/zinc/11/80/26/188118026.db2.gz KMCTVLFWKQQKQJ-UHFFFAOYSA-N 1 0 222.338 2.753 10 10 BFCERO CSc1cc(C(C)(C)C)cc(C[NH3+])c1O ZINC000029221449 371734761 /nfs/dbraw/zinc/73/47/61/371734761.db2.gz ZENBEAYMYRZPNL-UHFFFAOYSA-N 1 0 225.357 2.870 10 10 BFCERO CCC[NH+](CCC)CCc1ccc(N)cc1 ZINC000020072254 169147289 /nfs/dbraw/zinc/14/72/89/169147289.db2.gz GPKATEXWKFZQRH-UHFFFAOYSA-N 1 0 220.360 2.933 10 10 BFCERO CCC[N@H+](CCCOC)Cc1ccc(N)cc1 ZINC000037753925 169155036 /nfs/dbraw/zinc/15/50/36/169155036.db2.gz DUWMUEXSYBZHKI-UHFFFAOYSA-N 1 0 236.359 2.517 10 10 BFCERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000019902840 169370309 /nfs/dbraw/zinc/37/03/09/169370309.db2.gz IHLYEORHHDJLOW-ZJUUUORDSA-N 1 0 223.316 2.937 10 10 BFCERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(F)ccc1O ZINC000087111401 384738842 /nfs/dbraw/zinc/73/88/42/384738842.db2.gz DDVQUEUQGLOFDZ-VHSKPIJISA-N 1 0 209.264 2.590 10 10 BFCERO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CCCO1 ZINC000295794903 388414215 /nfs/dbraw/zinc/41/42/15/388414215.db2.gz BUNBXFQHOVXTSM-VHRBIJSZSA-N 1 0 247.338 2.537 10 10 BFCERO CCC1CCN(c2ccc(C[NH3+])cc2)CC1 ZINC000042446149 132352318 /nfs/dbraw/zinc/35/23/18/132352318.db2.gz OGPRUCJRXLSSDD-UHFFFAOYSA-N 1 0 218.344 2.772 10 10 BFCERO [NH3+]Cc1ccc(N2CCCCC2)c(Cl)c1 ZINC000062792806 132388425 /nfs/dbraw/zinc/38/84/25/132388425.db2.gz KUHWKSWJCNVXOJ-UHFFFAOYSA-N 1 0 224.735 2.789 10 10 BFCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083379334 132425121 /nfs/dbraw/zinc/42/51/21/132425121.db2.gz KLZLPZNXZJKOHP-SWLSCSKDSA-N 1 0 248.370 2.518 10 10 BFCERO CC(C)[NH2+]C[C@@H]1CCCc2c(O)c(O)ccc21 ZINC000029208271 167113615 /nfs/dbraw/zinc/11/36/15/167113615.db2.gz TYFSFKDRNAFNQF-JTQLQIEISA-N 1 0 235.327 2.516 10 10 BFCERO CC(C)[NH2+]Cc1cc(F)c(N(C)C)c(F)c1 ZINC000062709737 167116909 /nfs/dbraw/zinc/11/69/09/167116909.db2.gz SJEBWYGLHZFBRI-UHFFFAOYSA-N 1 0 228.286 2.529 10 10 BFCERO CC(C)OCCN(c1ccc(C[NH3+])cc1)C1CC1 ZINC000049259280 167229140 /nfs/dbraw/zinc/22/91/40/167229140.db2.gz MZLKCXKZKKAMRY-UHFFFAOYSA-N 1 0 248.370 2.539 10 10 BFCERO CC(C)Oc1ccc(N2CCC[NH2+]CCC2)cc1 ZINC000049665690 167295634 /nfs/dbraw/zinc/29/56/34/167295634.db2.gz MSNYSCGUIDULSA-UHFFFAOYSA-N 1 0 248.370 2.664 10 10 BFCERO CC(C)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226582391 167381736 /nfs/dbraw/zinc/38/17/36/167381736.db2.gz LEGXLAUHSHFZPG-SECBINFHSA-N 1 0 211.280 2.665 10 10 BFCERO CCN(c1ccc(OC(C)C)cc1)[C@H](C)C[NH3+] ZINC000020261340 169941999 /nfs/dbraw/zinc/94/19/99/169941999.db2.gz LCMUSMHOFVNVKK-GFCCVEGCSA-N 1 0 236.359 2.647 10 10 BFCERO C[NH2+]Cc1ccc(N2CCC[C@@H]2C)cc1C ZINC000050582735 173389167 /nfs/dbraw/zinc/38/91/67/173389167.db2.gz OTJRBQWLYWUPAZ-LBPRGKRZSA-N 1 0 218.344 2.703 10 10 BFCERO COc1ccc([C@H](C)[NH2+]CC2CCC2)c(O)c1 ZINC000037179415 175187966 /nfs/dbraw/zinc/18/79/66/175187966.db2.gz MWGQUVOZSFIPDG-JTQLQIEISA-N 1 0 235.327 2.852 10 10 BFCERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)cc1O ZINC000019945221 176088852 /nfs/dbraw/zinc/08/88/52/176088852.db2.gz HMYOQRZLTJOFSP-ZWNOBZJWSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@@H]1CCC[N@H+](CCOc2ccc(N)cc2)CC1 ZINC000104362029 176097684 /nfs/dbraw/zinc/09/76/84/176097684.db2.gz UBZZFUAIMVQWNK-CYBMUJFWSA-N 1 0 248.370 2.770 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N2CC[C@H](C)C2)c(F)c1 ZINC000040718474 177170971 /nfs/dbraw/zinc/17/09/71/177170971.db2.gz YXMSQJVJKTUTAM-VHSXEESVSA-N 1 0 222.307 2.692 10 10 BFCERO CC(C)Oc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049710134 534999524 /nfs/dbraw/zinc/99/95/24/534999524.db2.gz FVAMBSFCQKEZGV-STQMWFEESA-N 1 0 248.370 2.790 10 10 BFCERO COCCc1ccc(O)c([C@@H]([NH3+])CC(C)C)c1 ZINC000757131654 582505568 /nfs/dbraw/zinc/50/55/68/582505568.db2.gz BVFGBMMAKRHIKO-ZDUSSCGKSA-N 1 0 237.343 2.627 10 10 BFCERO COC1CC([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000230674292 641080232 /nfs/dbraw/zinc/08/02/32/641080232.db2.gz RJNHUNYHWDSRRA-NUYPLMSZSA-N 1 0 248.370 2.581 10 10 BFCERO CC(C)c1ccc(O)c([C@@H]([NH3+])C2CC2)c1 ZINC000238205919 642798441 /nfs/dbraw/zinc/79/84/41/642798441.db2.gz SMSDRWKYXGPUAZ-ZDUSSCGKSA-N 1 0 205.301 2.925 10 10 BFCERO Cc1cc([C@@H]([NH3+])c2ccccc2)c(O)cc1F ZINC000757132699 643258103 /nfs/dbraw/zinc/25/81/03/643258103.db2.gz JFVBOTAKHNDQPQ-AWEZNQCLSA-N 1 0 231.270 2.888 10 10 BFCERO CSC1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000708276677 712185425 /nfs/dbraw/zinc/18/54/25/712185425.db2.gz XKMSFDYZRAHZFK-UHFFFAOYSA-N 1 0 241.331 2.515 10 10 BFCERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1O ZINC000037165194 712549810 /nfs/dbraw/zinc/54/98/10/712549810.db2.gz RSWNZVBIXJSRSP-DYEKYZERSA-N 1 0 249.354 2.736 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096100 712808000 /nfs/dbraw/zinc/80/80/00/712808000.db2.gz JCVZYUZNJCFKFA-STQMWFEESA-N 1 0 249.354 2.920 10 10 BFCERO Cc1cc(O)c(C[N+](C)(C)C)c(C)c1C ZINC000206993483 717160895 /nfs/dbraw/zinc/16/08/95/717160895.db2.gz NHJNKOATPZYAMV-UHFFFAOYSA-O 1 0 208.325 2.524 10 10 BFCERO Cc1cc(N2CCC[NH2+]CC2)ccc1OC(C)C ZINC000063063315 178113883 /nfs/dbraw/zinc/11/38/83/178113883.db2.gz ZJSYHIUIEKZWRN-UHFFFAOYSA-N 1 0 248.370 2.582 10 10 BFCERO Nc1ccc(N2CCC[C@H](C(F)F)C2)cc1 ZINC000409430027 343807033 /nfs/dbraw/zinc/80/70/33/343807033.db2.gz PXAMFGGRZZCIMJ-VIFPVBQESA-N 1 0 226.270 2.750 10 10 BFCERO CCCc1cc(C)c2c(c1O)[C@@H]([NH3+])CC2 ZINC000026155348 344127829 /nfs/dbraw/zinc/12/78/29/344127829.db2.gz BNGMREZMYFKOLR-NSHDSACASA-N 1 0 205.301 2.599 10 10 BFCERO N#[N+]C1c2ccccc2Oc2ccccc21 ZINC000026247014 344131650 /nfs/dbraw/zinc/13/16/50/344131650.db2.gz BUGHGJJFTXGSSC-UHFFFAOYSA-N 1 0 208.220 2.717 10 10 BFCERO CC(C)N(C)c1ccc(C[NH3+])cc1Cl ZINC000062792805 347049023 /nfs/dbraw/zinc/04/90/23/347049023.db2.gz KVBZUHHLIPKNCN-UHFFFAOYSA-N 1 0 212.724 2.643 10 10 BFCERO CC[NH+](CC)C[C@@H]1CCCc2c(O)c(O)ccc21 ZINC000029203121 344495930 /nfs/dbraw/zinc/49/59/30/344495930.db2.gz OWFYHUNHZKANBP-NSHDSACASA-N 1 0 249.354 2.860 10 10 BFCERO C[NH+](C)C1CCC(Nc2ccc(N)cc2)CC1 ZINC000148575822 346332322 /nfs/dbraw/zinc/33/23/22/346332322.db2.gz UVWGEHCXWLCCLG-UHFFFAOYSA-N 1 0 233.359 2.554 10 10 BFCERO Cc1cccc(C[NH2+][C@@H](C)C(C)C)c1O ZINC000162823737 179096662 /nfs/dbraw/zinc/09/66/62/179096662.db2.gz MDBWNQMRNKTGDC-NSHDSACASA-N 1 0 207.317 2.835 10 10 BFCERO CCC[C@@H]([NH3+])c1c([O-])c(F)ccc1Cl ZINC000306985971 351403312 /nfs/dbraw/zinc/40/33/12/351403312.db2.gz OICPLRUYZCXVKT-MRVPVSSYSA-N 1 0 217.671 2.985 10 10 BFCERO Nc1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1O ZINC000039367762 358223836 /nfs/dbraw/zinc/22/38/36/358223836.db2.gz HKCTYTQTVVTXBH-CYBMUJFWSA-N 1 0 248.713 2.676 10 10 BFCERO CC[NH+](CC)CCCCOc1ccc(N)cc1 ZINC000584592922 358250854 /nfs/dbraw/zinc/25/08/54/358250854.db2.gz FOSMSKJSSXSTBX-UHFFFAOYSA-N 1 0 236.359 2.770 10 10 BFCERO [NH3+]CCc1cccc(N2CCc3ccccc32)c1 ZINC000027765466 181412490 /nfs/dbraw/zinc/41/24/90/181412490.db2.gz JZWFWVYXPUFKIV-UHFFFAOYSA-N 1 0 238.334 2.882 10 10 BFCERO CCC[N@H+](CC)CCCOc1ccc(N)cc1 ZINC000037094366 169121708 /nfs/dbraw/zinc/12/17/08/169121708.db2.gz TUGPKXPMIXDZQA-UHFFFAOYSA-N 1 0 236.359 2.770 10 10 BFCERO Oc1ccc(Cl)cc1C[NH2+]C1CCC1 ZINC000052207285 183273759 /nfs/dbraw/zinc/27/37/59/183273759.db2.gz GUKUPEOBVLZITR-UHFFFAOYSA-N 1 0 211.692 2.688 10 10 BFCERO CCC[NH2+]Cc1ccc(N2CCCC2)c(F)c1 ZINC000034823024 169267259 /nfs/dbraw/zinc/26/72/59/169267259.db2.gz PWPQPPKTNMNQPS-UHFFFAOYSA-N 1 0 236.334 2.926 10 10 BFCERO CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000050285808 169370708 /nfs/dbraw/zinc/37/07/08/169370708.db2.gz JGALCSANILZPPU-GFCCVEGCSA-N 1 0 232.371 2.957 10 10 BFCERO [NH3+][C@@H]1CCc2cc(N3CCCCC3)ccc21 ZINC000087493638 383849391 /nfs/dbraw/zinc/84/93/91/383849391.db2.gz WYADQUMCYGOFCW-CQSZACIVSA-N 1 0 216.328 2.623 10 10 BFCERO [NH3+][C@@H](CC(F)(F)F)c1ccc2[nH]ccc2c1O ZINC000089204347 383947392 /nfs/dbraw/zinc/94/73/92/383947392.db2.gz ORRRSXKUHFNADE-QMMMGPOBSA-N 1 0 244.216 2.826 10 10 BFCERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(N(C)C)cc1 ZINC000134240902 384340015 /nfs/dbraw/zinc/34/00/15/384340015.db2.gz OESQWHLIPBTFKH-HUBLWGQQSA-N 1 0 248.370 2.581 10 10 BFCERO Cc1cc(C(C)(C)C)c(O)c2c1CC[C@H]2[NH3+] ZINC000026166806 384552751 /nfs/dbraw/zinc/55/27/51/384552751.db2.gz VUAHUUAUIXSABC-LLVKDONJSA-N 1 0 219.328 2.944 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c(O)c1 ZINC000249728295 386846207 /nfs/dbraw/zinc/84/62/07/386846207.db2.gz UYZJSJVUXLEGLI-FPMFFAJLSA-N 1 0 249.354 2.655 10 10 BFCERO [NH3+][C@@H](CC(F)F)c1cc(Cl)ccc1O ZINC000575438111 387112602 /nfs/dbraw/zinc/11/26/02/387112602.db2.gz GBDIAUBSEWKTHU-ZETCQYMHSA-N 1 0 221.634 2.701 10 10 BFCERO Cc1cc(Cl)cc([C@H]([NH3+])CCF)c1O ZINC000575440002 387127594 /nfs/dbraw/zinc/12/75/94/387127594.db2.gz YVMSDFYJQUJBIS-SECBINFHSA-N 1 0 217.671 2.713 10 10 BFCERO C[C@H]1CCCCN1c1ccc(C[NH3+])cc1F ZINC000020469570 132331812 /nfs/dbraw/zinc/33/18/12/132331812.db2.gz LXZQPGZJBGTROI-JTQLQIEISA-N 1 0 222.307 2.663 10 10 BFCERO Cc1cc(C[NH3+])ccc1N1CCCC[C@@H]1C ZINC000037733128 132345358 /nfs/dbraw/zinc/34/53/58/132345358.db2.gz QZVMDMKHEYTKAU-LBPRGKRZSA-N 1 0 218.344 2.833 10 10 BFCERO C[C@@H]1CCN(c2ccc(C[NH3+])cc2)[C@H](C)C1 ZINC000051728441 132361560 /nfs/dbraw/zinc/36/15/60/132361560.db2.gz KXGZNOYOROWMSD-VXGBXAGGSA-N 1 0 218.344 2.770 10 10 BFCERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000052275008 132362248 /nfs/dbraw/zinc/36/22/48/132362248.db2.gz PTGZRIFAGQNVBD-RISCZKNCSA-N 1 0 230.355 2.567 10 10 BFCERO CCN(c1ccc(C[NH3+])cc1F)C(C)C ZINC000037082558 169942027 /nfs/dbraw/zinc/94/20/27/169942027.db2.gz INAVKFKVUFFJFW-UHFFFAOYSA-N 1 0 210.296 2.519 10 10 BFCERO CC[C@H]1CCCN1c1ccc(C[NH2+]C)cc1 ZINC000037914668 171622375 /nfs/dbraw/zinc/62/23/75/171622375.db2.gz VLEPRBOFJMPFCH-ZDUSSCGKSA-N 1 0 218.344 2.785 10 10 BFCERO C[NH2+]Cc1ccc(N2CCC[C@H]2C)c(F)c1 ZINC000037911780 173389157 /nfs/dbraw/zinc/38/91/57/173389157.db2.gz JACQWPWMNXYRTR-SNVBAGLBSA-N 1 0 222.307 2.534 10 10 BFCERO COCCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020142269 174246979 /nfs/dbraw/zinc/24/69/79/174246979.db2.gz VKQBWJOTTUOVNK-UHFFFAOYSA-N 1 0 245.322 2.672 10 10 BFCERO COc1ccc(C[NH2+][C@H](C)c2ccco2)c(O)c1 ZINC000042372705 175111557 /nfs/dbraw/zinc/11/15/57/175111557.db2.gz VOSPJLOWIJWYSG-SNVBAGLBSA-N 1 0 247.294 2.845 10 10 BFCERO COc1ccc(N(C)[C@H](C[NH3+])C2CCCC2)cc1 ZINC000050272421 175136120 /nfs/dbraw/zinc/13/61/20/175136120.db2.gz QCFYHXSEMBQZGS-OAHLLOKOSA-N 1 0 248.370 2.649 10 10 BFCERO COc1ccc(O)c(C[NH2+]CC2CCCC2)c1 ZINC000037257531 175159324 /nfs/dbraw/zinc/15/93/24/175159324.db2.gz HEQURNOPIGMVKQ-UHFFFAOYSA-N 1 0 235.327 2.681 10 10 BFCERO C[C@@H]([NH3+])[C@@H](Sc1nccs1)C(C)(C)C ZINC000043297901 175809807 /nfs/dbraw/zinc/80/98/07/175809807.db2.gz UYCZHOAEXVQRNW-HTQZYQBOSA-N 1 0 230.402 2.997 10 10 BFCERO C[C@@H]([NH3+])c1ccc(N2CCCC2)c(Cl)c1 ZINC000058826224 175817745 /nfs/dbraw/zinc/81/77/45/175817745.db2.gz HXHBHXBSTMCOEG-SECBINFHSA-N 1 0 224.735 2.960 10 10 BFCERO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000009239350 176070742 /nfs/dbraw/zinc/07/07/42/176070742.db2.gz MYEMLVONWSWXFF-GFCCVEGCSA-N 1 0 234.343 2.522 10 10 BFCERO C[C@@H]1C[NH2+][C@@H](c2cc(Cl)ccc2O)C1 ZINC000003705278 176330637 /nfs/dbraw/zinc/33/06/37/176330637.db2.gz SODBIXBLSQETCO-OIBJUYFYSA-N 1 0 211.692 2.716 10 10 BFCERO C[C@H]([NH3+])[C@@H](Sc1nccs1)C(C)(C)C ZINC000043297900 176765388 /nfs/dbraw/zinc/76/53/88/176765388.db2.gz UYCZHOAEXVQRNW-JGVFFNPUSA-N 1 0 230.402 2.997 10 10 BFCERO C[C@H]([NH3+])c1ccc(N(C)C[C@@H]2CCCOC2)cc1 ZINC000104194882 176776559 /nfs/dbraw/zinc/77/65/59/176776559.db2.gz HKCNVNWKAPYOKN-STQMWFEESA-N 1 0 248.370 2.569 10 10 BFCERO C[C@H]([NH2+]Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000019878090 176875002 /nfs/dbraw/zinc/87/50/02/176875002.db2.gz ZWHSTHTWRNUHCO-NSHDSACASA-N 1 0 243.306 2.949 10 10 BFCERO C[C@H]1CCCC[N@@H+]1CCOc1ccc(N)cc1 ZINC000009239352 177075303 /nfs/dbraw/zinc/07/53/03/177075303.db2.gz MYEMLVONWSWXFF-LBPRGKRZSA-N 1 0 234.343 2.522 10 10 BFCERO C[C@H]1CCC[N@H+](CCCOc2ccc(N)cc2)C1 ZINC000032104052 177097137 /nfs/dbraw/zinc/09/71/37/177097137.db2.gz PCNDYFSRKBIZIT-ZDUSSCGKSA-N 1 0 248.370 2.770 10 10 BFCERO C[C@H]1CCN(c2ccc(C[NH3+])cc2Cl)C1 ZINC000062792977 177171392 /nfs/dbraw/zinc/17/13/92/177171392.db2.gz TYPPDTIKCBAWGF-VIFPVBQESA-N 1 0 224.735 2.645 10 10 BFCERO CC(C)Oc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049710131 534999340 /nfs/dbraw/zinc/99/93/40/534999340.db2.gz FVAMBSFCQKEZGV-QWHCGFSZSA-N 1 0 248.370 2.790 10 10 BFCERO CCOc1ccc(N2CC(C)(C)[NH2+]C[C@H]2C)cc1 ZINC000058449537 535734934 /nfs/dbraw/zinc/73/49/34/535734934.db2.gz OJFURFFJCVJOSI-GFCCVEGCSA-N 1 0 248.370 2.662 10 10 BFCERO CCOc1ccc(N2CC[C@@H]([NH2+]C)C[C@@H]2C)cc1 ZINC000049694262 535735554 /nfs/dbraw/zinc/73/55/54/535735554.db2.gz ZEOLTYOVTXRIKJ-QWHCGFSZSA-N 1 0 248.370 2.662 10 10 BFCERO [NH3+][C@@H](CF)c1ccc2ccccc2c1O ZINC000757133540 586427086 /nfs/dbraw/zinc/42/70/86/586427086.db2.gz JKQCUYYZEYSWPY-NSHDSACASA-N 1 0 205.232 2.515 10 10 BFCERO CN(C)c1ccc2c(c1)C1(CC1)CC[C@H]2[NH3+] ZINC000757186999 586434464 /nfs/dbraw/zinc/43/44/64/586434464.db2.gz JMLZGCIQSJLNLO-CYBMUJFWSA-N 1 0 216.328 2.578 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c(O)c1 ZINC000020208721 590086262 /nfs/dbraw/zinc/08/62/62/590086262.db2.gz YSNBEKJXEGUTRR-ZOWXZIJZSA-N 1 0 249.354 2.919 10 10 BFCERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000040502175 633817012 /nfs/dbraw/zinc/81/70/12/633817012.db2.gz GAXWKJCTNBUXGN-STQMWFEESA-N 1 0 248.370 2.527 10 10 BFCERO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1C[C@H]1C ZINC000322068447 636793875 /nfs/dbraw/zinc/79/38/75/636793875.db2.gz SCFIAYOKWWRGIP-JFGNBEQYSA-N 1 0 205.301 2.526 10 10 BFCERO COC1CC([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000230673179 641080520 /nfs/dbraw/zinc/08/05/20/641080520.db2.gz GCRXYZPDPCZNIU-UNXYVOJBSA-N 1 0 235.327 2.529 10 10 BFCERO Cc1cc([C@H]([NH3+])c2ccccc2)c(O)cc1F ZINC000757132715 643259407 /nfs/dbraw/zinc/25/94/07/643259407.db2.gz JFVBOTAKHNDQPQ-CQSZACIVSA-N 1 0 231.270 2.888 10 10 BFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c(O)c1 ZINC000249871105 644743742 /nfs/dbraw/zinc/74/37/42/644743742.db2.gz JWEHRDPNRSPEHB-JFGNBEQYSA-N 1 0 205.301 2.760 10 10 BFCERO Cc1cc([C@H]2CCC[NH2+]2)c(O)cc1Cl ZINC000072202028 178265320 /nfs/dbraw/zinc/26/53/20/178265320.db2.gz NEUNJLMZJNEZOK-SNVBAGLBSA-N 1 0 211.692 2.779 10 10 BFCERO CCOc1cccc(C[NH2+][C@H](C)C(C)C)c1O ZINC000020523218 342989623 /nfs/dbraw/zinc/98/96/23/342989623.db2.gz IQLFTVZYPLJGFJ-LLVKDONJSA-N 1 0 237.343 2.925 10 10 BFCERO CCC(CC)[N@H+](C)Cc1ccc(N)cc1 ZINC000034415417 343142544 /nfs/dbraw/zinc/14/25/44/343142544.db2.gz SYMMECGMNPGCBZ-UHFFFAOYSA-N 1 0 206.333 2.889 10 10 BFCERO Cc1cc(CC(C)C)c(O)c2c1CC[C@@H]2[NH3+] ZINC000026155332 344127744 /nfs/dbraw/zinc/12/77/44/344127744.db2.gz UYZDMXRJTNYMOO-LBPRGKRZSA-N 1 0 219.328 2.845 10 10 BFCERO Cc1cc(CC(C)C)c(O)c2c1CC[C@H]2[NH3+] ZINC000026155323 344127999 /nfs/dbraw/zinc/12/79/99/344127999.db2.gz UYZDMXRJTNYMOO-GFCCVEGCSA-N 1 0 219.328 2.845 10 10 BFCERO Cc1ccccc1C[NH2+]Cc1ccc(O)cc1O ZINC000037718857 179282080 /nfs/dbraw/zinc/28/20/80/179282080.db2.gz TUGLHBMSKXHLGH-UHFFFAOYSA-N 1 0 243.306 2.696 10 10 BFCERO C[NH2+]Cc1ccc(N(C)[C@@H](C)C2CC2)c(F)c1 ZINC000036786074 187767833 /nfs/dbraw/zinc/76/78/33/187767833.db2.gz ZIPQLJLJFQEIPQ-JTQLQIEISA-N 1 0 236.334 2.780 10 10 BFCERO C=COCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628938 188111870 /nfs/dbraw/zinc/11/18/70/188111870.db2.gz JJJPBAMPYBUBQL-LBPRGKRZSA-N 1 0 235.327 2.901 10 10 BFCERO CC[C@H](c1ccccc1O)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217863205 134250751 /nfs/dbraw/zinc/25/07/51/134250751.db2.gz ZPXYMBQJHNFFEH-GXTWGEPZSA-N 1 0 249.354 2.954 10 10 BFCERO Oc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1O ZINC000019943483 183270129 /nfs/dbraw/zinc/27/01/29/183270129.db2.gz RZDBJBVRQYYNOH-UHFFFAOYSA-N 1 0 247.269 2.527 10 10 BFCERO CCCN(C[C@H]1CCCO1)c1ccc(C[NH3+])cc1 ZINC000034654625 169172355 /nfs/dbraw/zinc/17/23/55/169172355.db2.gz SNHBVIYPCIQKPK-OAHLLOKOSA-N 1 0 248.370 2.541 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000035628968 383866446 /nfs/dbraw/zinc/86/64/46/383866446.db2.gz FFRVRWRVIAHEOR-ZOWXZIJZSA-N 1 0 249.354 2.919 10 10 BFCERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(N(C)C)cc1 ZINC000134240859 384339646 /nfs/dbraw/zinc/33/96/46/384339646.db2.gz OESQWHLIPBTFKH-SLEUVZQESA-N 1 0 248.370 2.581 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134237956 384340327 /nfs/dbraw/zinc/34/03/27/384340327.db2.gz VZTGJYWLBIFCSJ-DMDPSCGWSA-N 1 0 235.327 2.529 10 10 BFCERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(F)ccc1O ZINC000087111399 384739780 /nfs/dbraw/zinc/73/97/80/384739780.db2.gz DDVQUEUQGLOFDZ-FYBVGQRMSA-N 1 0 209.264 2.590 10 10 BFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000249925763 384909683 /nfs/dbraw/zinc/90/96/83/384909683.db2.gz ZVWYNTPCMRXARP-JFGNBEQYSA-N 1 0 205.301 2.760 10 10 BFCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000165065600 385063281 /nfs/dbraw/zinc/06/32/81/385063281.db2.gz DSKVZJRZYXRDSY-DGCLKSJQSA-N 1 0 219.328 2.979 10 10 BFCERO CN(C)c1ccc([C@H]([NH3+])CCF)c(Cl)c1 ZINC000575439088 387121411 /nfs/dbraw/zinc/12/14/11/387121411.db2.gz PDFVRTSEQIPWDU-LLVKDONJSA-N 1 0 230.714 2.765 10 10 BFCERO CC[C@H](c1ccccc1O)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211637363 387586017 /nfs/dbraw/zinc/58/60/17/387586017.db2.gz HIWBLMCFHPJBIE-MBNYWOFBSA-N 1 0 247.338 2.707 10 10 BFCERO Cc1cc(Cl)cc([C@H]2CCC[NH2+]2)c1O ZINC000238536964 387871976 /nfs/dbraw/zinc/87/19/76/387871976.db2.gz RJHKBRLFRDXJDB-SNVBAGLBSA-N 1 0 211.692 2.779 10 10 BFCERO [NH3+][C@H]1CCc2cc(N3CCCCC3)ccc21 ZINC000087493637 132427088 /nfs/dbraw/zinc/42/70/88/132427088.db2.gz WYADQUMCYGOFCW-AWEZNQCLSA-N 1 0 216.328 2.623 10 10 BFCERO CC[C@@H]1CN(c2ccc([C@@H](C)[NH2+]C)cc2)CCO1 ZINC000036770066 132342749 /nfs/dbraw/zinc/34/27/49/132342749.db2.gz RZPLOJTYTGJJAI-IUODEOHRSA-N 1 0 248.370 2.582 10 10 BFCERO CCCC[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050285825 132358936 /nfs/dbraw/zinc/35/89/36/132358936.db2.gz MALDBWDWWHQYHN-UHFFFAOYSA-N 1 0 232.371 2.959 10 10 BFCERO C[C@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000052275013 132362178 /nfs/dbraw/zinc/36/21/78/132362178.db2.gz PTGZRIFAGQNVBD-SMDDNHRTSA-N 1 0 230.355 2.567 10 10 BFCERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000020523076 167385532 /nfs/dbraw/zinc/38/55/32/167385532.db2.gz UZAJQTYXNLNOIP-NXEZZACHSA-N 1 0 223.316 2.793 10 10 BFCERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000020523186 167385652 /nfs/dbraw/zinc/38/56/52/167385652.db2.gz PRXBRBPKBNIMON-NXEZZACHSA-N 1 0 223.316 2.793 10 10 BFCERO CCN(c1ccc([C@H](C)[NH3+])cc1)C1CC1 ZINC000037080126 169942221 /nfs/dbraw/zinc/94/22/21/169942221.db2.gz ARFKDCNPCIAVIJ-JTQLQIEISA-N 1 0 204.317 2.695 10 10 BFCERO CC[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000019882243 171346061 /nfs/dbraw/zinc/34/60/61/171346061.db2.gz UDXBCMQFUWNKGO-IUCAKERBSA-N 1 0 209.289 2.547 10 10 BFCERO C[NH2+][C@H](C)c1ccc(N2CC[C@H](C)C2)cc1 ZINC000040718496 173448704 /nfs/dbraw/zinc/44/87/04/173448704.db2.gz ZGZLBFUIEUZYQM-NWDGAFQWSA-N 1 0 218.344 2.813 10 10 BFCERO COc1ccc(N(C)CC2(C)CC[NH2+]CC2)cc1 ZINC000062841922 175136207 /nfs/dbraw/zinc/13/62/07/175136207.db2.gz XYJDKHQMBWHGFD-UHFFFAOYSA-N 1 0 248.370 2.521 10 10 BFCERO COc1ccc(N2CC[C@H](C)[NH2+][C@@H](C)CC2)cc1 ZINC000049662794 175139861 /nfs/dbraw/zinc/13/98/61/175139861.db2.gz OVBNYNXGSAULSL-STQMWFEESA-N 1 0 248.370 2.662 10 10 BFCERO COc1ccc([C@H](C)[NH2+]C2CCC2)c(O)c1 ZINC000052207561 175188171 /nfs/dbraw/zinc/18/81/71/175188171.db2.gz RLUPZRDPNQRTDK-VIFPVBQESA-N 1 0 221.300 2.604 10 10 BFCERO C[C@@H]1CCCC[N@@H+]1CCc1ccc(N)cc1 ZINC000011570435 176070931 /nfs/dbraw/zinc/07/09/31/176070931.db2.gz UCJXEUGMLUYMTA-GFCCVEGCSA-N 1 0 218.344 2.686 10 10 BFCERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1O ZINC000041116401 176088538 /nfs/dbraw/zinc/08/85/38/176088538.db2.gz DCMINFRCJKWJJU-ZYHUDNBSSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@@H]1CCC[N@H+](CCc2ccc(N)cc2)C1 ZINC000011570433 176098603 /nfs/dbraw/zinc/09/86/03/176098603.db2.gz AHJKXDIEAYBVMI-GFCCVEGCSA-N 1 0 218.344 2.543 10 10 BFCERO C[C@@H]1CCCN1c1ccc(C[NH3+])cc1Cl ZINC000062792964 176111690 /nfs/dbraw/zinc/11/16/90/176111690.db2.gz XXMCHOKUROJCGS-SECBINFHSA-N 1 0 224.735 2.787 10 10 BFCERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)cc1O ZINC000019945218 177083824 /nfs/dbraw/zinc/08/38/24/177083824.db2.gz HMYOQRZLTJOFSP-GWCFXTLKSA-N 1 0 235.327 2.766 10 10 BFCERO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(N)ccc1O ZINC000042601663 177086591 /nfs/dbraw/zinc/08/65/91/177086591.db2.gz AJBZQPXKRCRLQT-SMDDNHRTSA-N 1 0 248.370 2.985 10 10 BFCERO C[C@H]1C[C@H](C)C[NH+](CCc2ccc(N)cc2)C1 ZINC000011570451 177358214 /nfs/dbraw/zinc/35/82/14/177358214.db2.gz QBDVJALVSMVVTL-STQMWFEESA-N 1 0 232.371 2.789 10 10 BFCERO CCC[C@@H]([NH3+])c1cc(Cl)cc(OC)c1O ZINC000757145848 582528481 /nfs/dbraw/zinc/52/84/81/582528481.db2.gz QCSHYAAAPWTBTB-SECBINFHSA-N 1 0 229.707 2.854 10 10 BFCERO CC(C)Oc1ccc(N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000071563552 535000368 /nfs/dbraw/zinc/00/03/68/535000368.db2.gz JIVDIANXIILVFY-QWHCGFSZSA-N 1 0 248.370 2.660 10 10 BFCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2C)cc1 ZINC000083379331 536708118 /nfs/dbraw/zinc/70/81/18/536708118.db2.gz KLZLPZNXZJKOHP-DOMZBBRYSA-N 1 0 248.370 2.518 10 10 BFCERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1O ZINC000217640288 583172621 /nfs/dbraw/zinc/17/26/21/583172621.db2.gz RSWNZVBIXJSRSP-BZPMIXESSA-N 1 0 249.354 2.736 10 10 BFCERO CN(C)c1ccc2c(c1)C1(CC1)CC[C@@H]2[NH3+] ZINC000757187001 586434459 /nfs/dbraw/zinc/43/44/59/586434459.db2.gz JMLZGCIQSJLNLO-ZDUSSCGKSA-N 1 0 216.328 2.578 10 10 BFCERO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1C[C@H]1C ZINC000322068445 636793982 /nfs/dbraw/zinc/79/39/82/636793982.db2.gz SCFIAYOKWWRGIP-CKYFFXLPSA-N 1 0 205.301 2.526 10 10 BFCERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1O ZINC000249897304 644743330 /nfs/dbraw/zinc/74/33/30/644743330.db2.gz SBQUBICOFVAQLX-USWWRNFRSA-N 1 0 205.301 2.841 10 10 BFCERO [NH3+][C@H](c1cc(Br)ccc1O)C1CC1 ZINC000095673136 644763010 /nfs/dbraw/zinc/76/30/10/644763010.db2.gz OKLNVTWPBWCUGX-JTQLQIEISA-N 1 0 242.116 2.565 10 10 BFCERO CSC1CC([NH2+]Cc2cccc(C)c2O)C1 ZINC000708290045 712185367 /nfs/dbraw/zinc/18/53/67/712185367.db2.gz MJWIRCQTZQAAPK-UHFFFAOYSA-N 1 0 237.368 2.684 10 10 BFCERO