smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000700822716 712007525 /nfs/dbraw/zinc/00/75/25/712007525.db2.gz IVTZKBSGJQHABX-ZDUSSCGKSA-N 2 1 248.370 2.214 20 10 BECDMP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cc(C)cc1O ZINC001236868487 979773746 /nfs/dbraw/zinc/77/37/46/979773746.db2.gz DTHDYNAWCRKGNK-LBPRGKRZSA-N 2 1 236.359 2.178 20 10 BECDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cc(C)cc1O ZINC001236868487 979773761 /nfs/dbraw/zinc/77/37/61/979773761.db2.gz DTHDYNAWCRKGNK-LBPRGKRZSA-N 2 1 236.359 2.178 20 10 BECDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC001345160853 957162796 /nfs/dbraw/zinc/16/27/96/957162796.db2.gz ZYEXCKMJQVDIBC-WFASDCNBSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N)cc2)CC[N@H+]1C ZINC001345160853 957162806 /nfs/dbraw/zinc/16/28/06/957162806.db2.gz ZYEXCKMJQVDIBC-WFASDCNBSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N)cc2)CC[NH+]1C ZINC001345160853 957162814 /nfs/dbraw/zinc/16/28/14/957162814.db2.gz ZYEXCKMJQVDIBC-WFASDCNBSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)cc2)CC[NH+]1C ZINC001345160853 957162832 /nfs/dbraw/zinc/16/28/32/957162832.db2.gz ZYEXCKMJQVDIBC-WFASDCNBSA-N 2 1 247.386 2.183 20 10 BECDMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001140948762 960744542 /nfs/dbraw/zinc/74/45/42/960744542.db2.gz ZDMQLNCBYQHPGE-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC001140948762 960744552 /nfs/dbraw/zinc/74/45/52/960744552.db2.gz ZDMQLNCBYQHPGE-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP Cc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205829642 967841292 /nfs/dbraw/zinc/84/12/92/967841292.db2.gz PIBWAHPFZQWPTO-SMDDNHRTSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205829642 967841297 /nfs/dbraw/zinc/84/12/97/967841297.db2.gz PIBWAHPFZQWPTO-SMDDNHRTSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(O)c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205856020 967857840 /nfs/dbraw/zinc/85/78/40/967857840.db2.gz RXHHSQVWPOHPGS-DGCLKSJQSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205856020 967857844 /nfs/dbraw/zinc/85/78/44/967857844.db2.gz RXHHSQVWPOHPGS-DGCLKSJQSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205880549 967871203 /nfs/dbraw/zinc/87/12/03/967871203.db2.gz MGXSEGGXTYRBIH-RISCZKNCSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205880549 967871207 /nfs/dbraw/zinc/87/12/07/967871207.db2.gz MGXSEGGXTYRBIH-RISCZKNCSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(O)c1 ZINC001206622492 968422508 /nfs/dbraw/zinc/42/25/08/968422508.db2.gz DBRTUNWRZUNYPE-CYBMUJFWSA-N 2 1 248.370 2.261 20 10 BECDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC001348852842 981460876 /nfs/dbraw/zinc/46/08/76/981460876.db2.gz QCAPTHDKOBVPQG-VWYCJHECSA-N 2 1 234.343 2.186 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205831646 982679669 /nfs/dbraw/zinc/67/96/69/982679669.db2.gz YFWXFXZVJOEKDF-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205831646 982679683 /nfs/dbraw/zinc/67/96/83/982679683.db2.gz YFWXFXZVJOEKDF-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP CC[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1O ZINC001326474093 989575151 /nfs/dbraw/zinc/57/51/51/989575151.db2.gz RXQSGIKKUBJWIM-GFCCVEGCSA-N 2 1 240.322 2.311 20 10 BECDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC001120370810 989640733 /nfs/dbraw/zinc/64/07/33/989640733.db2.gz FUYZSSRDYCBDOR-OAHLLOKOSA-N 2 1 247.386 2.185 20 10 BECDMP C[N@@H+](CCC[NH3+])Cc1ccc(N2CCCC2)cc1 ZINC001326990925 989801076 /nfs/dbraw/zinc/80/10/76/989801076.db2.gz MYPWFLFHYJNRIR-UHFFFAOYSA-N 2 1 247.386 2.067 20 10 BECDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1O ZINC000037267151 383968318 /nfs/dbraw/zinc/96/83/18/383968318.db2.gz COJBMBZRDXKKEX-NSHDSACASA-N 2 1 234.343 2.137 20 10 BECDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2O)CC[N@@H+]1C ZINC000179579725 176371429 /nfs/dbraw/zinc/37/14/29/176371429.db2.gz HFPNXVCRNNKZCV-OCCSQVGLSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2O)CC[N@H+]1C ZINC000179579725 176371430 /nfs/dbraw/zinc/37/14/30/176371430.db2.gz HFPNXVCRNNKZCV-OCCSQVGLSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CC[NH+]1C ZINC000179579725 176371432 /nfs/dbraw/zinc/37/14/32/176371432.db2.gz HFPNXVCRNNKZCV-OCCSQVGLSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)CC[NH+]1C ZINC000179579725 176371434 /nfs/dbraw/zinc/37/14/34/176371434.db2.gz HFPNXVCRNNKZCV-OCCSQVGLSA-N 2 1 248.370 2.307 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530176601 324507146 /nfs/dbraw/zinc/50/71/46/324507146.db2.gz CMUYWRLWBVLMQV-AWEZNQCLSA-N 2 1 246.354 2.075 20 10 BECDMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000854233135 588781229 /nfs/dbraw/zinc/78/12/29/588781229.db2.gz YCKQDCJQKOQWDE-NEPJUHHUSA-N 2 1 236.359 2.268 20 10 BECDMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817977895 584994110 /nfs/dbraw/zinc/99/41/10/584994110.db2.gz RFHUPUJQQFPMGX-ZJUUUORDSA-N 2 1 240.322 2.309 20 10 BECDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000817951251 586848021 /nfs/dbraw/zinc/84/80/21/586848021.db2.gz CGJGDPNVROGIQW-VXGBXAGGSA-N 2 1 234.343 2.103 20 10 BECDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(O)c1C ZINC000817952786 586849126 /nfs/dbraw/zinc/84/91/26/586849126.db2.gz SDLCHQQASVQIDQ-QWHCGFSZSA-N 2 1 248.370 2.412 20 10 BECDMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817966597 586854714 /nfs/dbraw/zinc/85/47/14/586854714.db2.gz QYBINSFIGSBWSN-MNOVXSKESA-N 2 1 248.370 2.269 20 10 BECDMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000817972121 586859689 /nfs/dbraw/zinc/85/96/89/586859689.db2.gz JZURNNBSTONPEH-NEPJUHHUSA-N 2 1 236.359 2.349 20 10 BECDMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC000841008161 587934700 /nfs/dbraw/zinc/93/47/00/587934700.db2.gz WGDBJMFJXUNSJJ-STQMWFEESA-N 2 1 248.370 2.212 20 10 BECDMP CC(C)[N@@H+](CCC[NH3+])Cc1ccc(N(C)C)cc1 ZINC000841004988 587935061 /nfs/dbraw/zinc/93/50/61/587935061.db2.gz AQLLVZLHNOWLLH-UHFFFAOYSA-N 2 1 249.402 2.312 20 10 BECDMP CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000841031746 587937239 /nfs/dbraw/zinc/93/72/39/587937239.db2.gz ZZLQHGQMQIVXTO-AATRIKPKSA-N 2 1 247.386 2.093 20 10 BECDMP C[C@H]1C[C@@H](C[NH2+]c2ccc(N)cc2)CC[NH2+]1 ZINC000841040625 587938624 /nfs/dbraw/zinc/93/86/24/587938624.db2.gz PYPKJZZVMDQKGS-QWRGUYRKSA-N 2 1 219.332 2.069 20 10 BECDMP [NH3+]C[C@H]([NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000841039288 587938714 /nfs/dbraw/zinc/93/87/14/587938714.db2.gz IWPIPEDTPLFWAB-AWEZNQCLSA-N 2 1 248.370 2.389 20 10 BECDMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841062766 587941512 /nfs/dbraw/zinc/94/15/12/587941512.db2.gz DTZIUAAGRJNMPQ-ZDUSSCGKSA-N 2 1 247.386 2.114 20 10 BECDMP CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000841078054 587945064 /nfs/dbraw/zinc/94/50/64/587945064.db2.gz FBQJWXAHSXVXPJ-CHWSQXEVSA-N 2 1 249.402 2.358 20 10 BECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000843045019 588076403 /nfs/dbraw/zinc/07/64/03/588076403.db2.gz QVUOFUYHGPSSNV-CYBMUJFWSA-N 2 1 248.370 2.132 20 10 BECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000843045020 588076438 /nfs/dbraw/zinc/07/64/38/588076438.db2.gz QVUOFUYHGPSSNV-ZDUSSCGKSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1O ZINC000843055472 588077610 /nfs/dbraw/zinc/07/76/10/588077610.db2.gz CPCDYYFBDNVQIW-UHFFFAOYSA-N 2 1 248.370 2.402 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000843058697 588077922 /nfs/dbraw/zinc/07/79/22/588077922.db2.gz WGWOQKJOEINRTD-STQMWFEESA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000846699093 588283533 /nfs/dbraw/zinc/28/35/33/588283533.db2.gz OUMVZNPTOMIUBE-JSGCOSHPSA-N 2 1 248.370 2.321 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1C ZINC000846699094 588283571 /nfs/dbraw/zinc/28/35/71/588283571.db2.gz OUMVZNPTOMIUBE-OCCSQVGLSA-N 2 1 248.370 2.321 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863545948 589297679 /nfs/dbraw/zinc/29/76/79/589297679.db2.gz CCIPVKDKONKALQ-GMXVVIOVSA-N 2 1 234.343 2.102 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863545949 589297941 /nfs/dbraw/zinc/29/79/41/589297941.db2.gz CCIPVKDKONKALQ-NTZNESFSSA-N 2 1 234.343 2.102 20 10 BECDMP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877070784 590277553 /nfs/dbraw/zinc/27/75/53/590277553.db2.gz VYCZCQIMVSKMCC-QWHCGFSZSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877070784 590277554 /nfs/dbraw/zinc/27/75/54/590277554.db2.gz VYCZCQIMVSKMCC-QWHCGFSZSA-N 2 1 248.370 2.273 20 10 BECDMP C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000124215164 634401757 /nfs/dbraw/zinc/40/17/57/634401757.db2.gz TTXHWAGROATGGF-UHFFFAOYSA-N 2 1 248.370 2.053 20 10 BECDMP C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccccc1O ZINC000863545551 636719824 /nfs/dbraw/zinc/71/98/24/636719824.db2.gz UZJWVTAPQAGZCU-WOPDTQHZSA-N 2 1 234.343 2.183 20 10 BECDMP C[N@H+](Cc1ccccc1O)C[C@@H]1CCCC[NH2+]C1 ZINC000903722199 637379579 /nfs/dbraw/zinc/37/95/79/637379579.db2.gz INWDTIIJGYGOTL-CYBMUJFWSA-N 2 1 248.370 2.214 20 10 BECDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817980730 644994160 /nfs/dbraw/zinc/99/41/60/644994160.db2.gz WRJGUILDQZVIKB-AAEUAGOBSA-N 2 1 235.375 2.141 20 10 BECDMP Cc1ccc(O)c(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000395383776 711209953 /nfs/dbraw/zinc/20/99/53/711209953.db2.gz KXLRXFNTWFKLER-UHFFFAOYSA-N 2 1 234.343 2.014 20 10 BECDMP Cc1ccc(O)c(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000395383776 711209954 /nfs/dbraw/zinc/20/99/54/711209954.db2.gz KXLRXFNTWFKLER-UHFFFAOYSA-N 2 1 234.343 2.014 20 10 BECDMP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccccc2O)C1 ZINC000709011924 712206032 /nfs/dbraw/zinc/20/60/32/712206032.db2.gz URLMCSLJENMPEG-CYBMUJFWSA-N 2 1 234.343 2.096 20 10 BECDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC001345160844 957162412 /nfs/dbraw/zinc/16/24/12/957162412.db2.gz ZYEXCKMJQVDIBC-SWLSCSKDSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N)cc2)CC[N@H+]1C ZINC001345160844 957162417 /nfs/dbraw/zinc/16/24/17/957162417.db2.gz ZYEXCKMJQVDIBC-SWLSCSKDSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N)cc2)CC[NH+]1C ZINC001345160844 957162419 /nfs/dbraw/zinc/16/24/19/957162419.db2.gz ZYEXCKMJQVDIBC-SWLSCSKDSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N)cc2)CC[NH+]1C ZINC001345160844 957162421 /nfs/dbraw/zinc/16/24/21/957162421.db2.gz ZYEXCKMJQVDIBC-SWLSCSKDSA-N 2 1 247.386 2.183 20 10 BECDMP Cc1ccc(O)c(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000132200892 962386006 /nfs/dbraw/zinc/38/60/06/962386006.db2.gz WHZKUZNMCARHGU-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205110352 965833642 /nfs/dbraw/zinc/83/36/42/965833642.db2.gz STQGDTYKFAGZQB-ZDUSSCGKSA-N 2 1 248.370 2.322 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205273114 967466414 /nfs/dbraw/zinc/46/64/14/967466414.db2.gz FKZXVBHRJNOECP-HNNXBMFYSA-N 2 1 248.370 2.404 20 10 BECDMP Cc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205829640 967843034 /nfs/dbraw/zinc/84/30/34/967843034.db2.gz PIBWAHPFZQWPTO-FZMZJTMJSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205829640 967843035 /nfs/dbraw/zinc/84/30/35/967843035.db2.gz PIBWAHPFZQWPTO-FZMZJTMJSA-N 2 1 248.370 2.260 20 10 BECDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2O)C1 ZINC001206541415 968368717 /nfs/dbraw/zinc/36/87/17/968368717.db2.gz HGXLPMSNUWYOLY-HNNXBMFYSA-N 2 1 248.370 2.343 20 10 BECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1O)C2 ZINC001169093265 969385526 /nfs/dbraw/zinc/38/55/26/969385526.db2.gz GQBVFKQVWGUUIJ-ZSOGYDGISA-N 2 1 246.354 2.107 20 10 BECDMP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001330117859 974114667 /nfs/dbraw/zinc/11/46/67/974114667.db2.gz AFQDSVCRWJSASV-SRVKXCTJSA-N 2 1 248.370 2.446 20 10 BECDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC001206318066 978511855 /nfs/dbraw/zinc/51/18/55/978511855.db2.gz LWNSSMUCUZSOMS-OAHLLOKOSA-N 2 1 247.386 2.220 20 10 BECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC001352790127 982581112 /nfs/dbraw/zinc/58/11/12/982581112.db2.gz OWXMDEKGYIBHAQ-DYEKYZERSA-N 2 1 247.386 2.074 20 10 BECDMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(O)c1 ZINC001579696883 986184305 /nfs/dbraw/zinc/18/43/05/986184305.db2.gz KXCFZBLEMHJCDB-AWEZNQCLSA-N 2 1 246.354 2.075 20 10 BECDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326077383 989364202 /nfs/dbraw/zinc/36/42/02/989364202.db2.gz WFKYNFCPTSNTHE-AWEZNQCLSA-N 2 1 247.386 2.114 20 10 BECDMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC001261424427 992296238 /nfs/dbraw/zinc/29/62/38/992296238.db2.gz UOBYBYZAODRYRV-VHSXEESVSA-N 2 1 240.322 2.180 20 10 BECDMP CCc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC001573832466 992730292 /nfs/dbraw/zinc/73/02/92/992730292.db2.gz UEELKQXRXQQDLX-LBPRGKRZSA-N 2 1 248.370 2.125 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(O)c1 ZINC000037267034 383967165 /nfs/dbraw/zinc/96/71/65/383967165.db2.gz MOZXYDWHKIDEHJ-GFCCVEGCSA-N 2 1 248.370 2.445 20 10 BECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000179582364 385475347 /nfs/dbraw/zinc/47/53/47/385475347.db2.gz VIAMRZLUUVYOJB-ZDUSSCGKSA-N 2 1 248.370 2.166 20 10 BECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179582364 385475350 /nfs/dbraw/zinc/47/53/50/385475350.db2.gz VIAMRZLUUVYOJB-ZDUSSCGKSA-N 2 1 248.370 2.166 20 10 BECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000179582364 385475353 /nfs/dbraw/zinc/47/53/53/385475353.db2.gz VIAMRZLUUVYOJB-ZDUSSCGKSA-N 2 1 248.370 2.166 20 10 BECDMP Cc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(O)c1 ZINC000854226259 588780710 /nfs/dbraw/zinc/78/07/10/588780710.db2.gz GMRDYPVDROSKKO-BZUNDVKYSA-N 2 1 246.354 2.103 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(O)c1 ZINC000817951451 584992092 /nfs/dbraw/zinc/99/20/92/584992092.db2.gz FVMJWSVXOIDAEW-VXGBXAGGSA-N 2 1 234.343 2.103 20 10 BECDMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000817943141 586846069 /nfs/dbraw/zinc/84/60/69/586846069.db2.gz JCWHPJXPYQNHIV-SNVBAGLBSA-N 2 1 240.322 2.182 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(O)c1 ZINC000817960662 586851403 /nfs/dbraw/zinc/85/14/03/586851403.db2.gz OZEVPCRAAHGJID-ZWNOBZJWSA-N 2 1 234.343 2.089 20 10 BECDMP Cc1ccc(O)c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000817960833 586851637 /nfs/dbraw/zinc/85/16/37/586851637.db2.gz SBWXFRDFIJBYEP-GXFFZTMASA-N 2 1 234.343 2.089 20 10 BECDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817963887 586854088 /nfs/dbraw/zinc/85/40/88/586854088.db2.gz XNMQCONJVLSRLQ-QWHCGFSZSA-N 2 1 248.370 2.487 20 10 BECDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000817970985 586857320 /nfs/dbraw/zinc/85/73/20/586857320.db2.gz IWTRAHJWUNQALD-NEPJUHHUSA-N 2 1 235.375 2.141 20 10 BECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841028587 587936351 /nfs/dbraw/zinc/93/63/51/587936351.db2.gz FEMXSBOSTNBXAM-CQSZACIVSA-N 2 1 248.370 2.229 20 10 BECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(C)ccc1O ZINC000841029015 587936746 /nfs/dbraw/zinc/93/67/46/587936746.db2.gz LEYTUQWPKVSEOV-ZDUSSCGKSA-N 2 1 236.359 2.308 20 10 BECDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841039070 587938441 /nfs/dbraw/zinc/93/84/41/587938441.db2.gz ZFEZPMZYSBYMNA-CQSZACIVSA-N 2 1 249.402 2.216 20 10 BECDMP Cc1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1O ZINC000841086710 587945438 /nfs/dbraw/zinc/94/54/38/587945438.db2.gz DUCQUHWERHCQAX-LBPRGKRZSA-N 2 1 236.359 2.164 20 10 BECDMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000843046413 588076063 /nfs/dbraw/zinc/07/60/63/588076063.db2.gz VCHGGXVCFPVAGI-TZMCWYRMSA-N 2 1 248.370 2.402 20 10 BECDMP Cc1cc(O)c(C[N@H+](C)CCC[NH3+])c(Cl)c1 ZINC000843050501 588076526 /nfs/dbraw/zinc/07/65/26/588076526.db2.gz LSBPRPYUAJJGJA-UHFFFAOYSA-N 2 1 242.750 2.135 20 10 BECDMP Cc1cc(O)c(C[N@@H+](C)CCC[NH3+])c(Cl)c1 ZINC000843050501 588076528 /nfs/dbraw/zinc/07/65/28/588076528.db2.gz LSBPRPYUAJJGJA-UHFFFAOYSA-N 2 1 242.750 2.135 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000843052398 588076994 /nfs/dbraw/zinc/07/69/94/588076994.db2.gz SOEKPJDVWZKLTO-BXUZGUMPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000843052398 588076996 /nfs/dbraw/zinc/07/69/96/588076996.db2.gz SOEKPJDVWZKLTO-BXUZGUMPSA-N 2 1 248.370 2.260 20 10 BECDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843052145 588077279 /nfs/dbraw/zinc/07/72/79/588077279.db2.gz HNSWONQPNNSGKE-ZDUSSCGKSA-N 2 1 248.370 2.050 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000863543329 589297009 /nfs/dbraw/zinc/29/70/09/589297009.db2.gz MLMOGXSCFQYVMV-KWCYVHTRSA-N 2 1 248.370 2.492 20 10 BECDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863547217 589298589 /nfs/dbraw/zinc/29/85/89/589298589.db2.gz PPPAIUSUZMIQGN-RWMBFGLXSA-N 2 1 248.370 2.410 20 10 BECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000876944136 590259216 /nfs/dbraw/zinc/25/92/16/590259216.db2.gz ZVJBCLZFLHUSIA-ZDUSSCGKSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000877522619 590347266 /nfs/dbraw/zinc/34/72/66/590347266.db2.gz PMHSCWUCIHUIFT-UHFFFAOYSA-N 2 1 236.359 2.084 20 10 BECDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000084946390 631454642 /nfs/dbraw/zinc/45/46/42/631454642.db2.gz WRCSVYMFXRWOAI-GXTWGEPZSA-N 2 1 247.386 2.064 20 10 BECDMP CCN(CC)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904450950 637417393 /nfs/dbraw/zinc/41/73/93/637417393.db2.gz UWODNYHHDAYYFW-UHFFFAOYSA-N 2 1 247.386 2.114 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229062155 640919730 /nfs/dbraw/zinc/91/97/30/640919730.db2.gz AOPAWFAZGJIJNZ-JSGCOSHPSA-N 2 1 248.370 2.117 20 10 BECDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000070148364 642977781 /nfs/dbraw/zinc/97/77/81/642977781.db2.gz CMIMUNJHUNZBMC-ZDUSSCGKSA-N 2 1 234.343 2.096 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000071409529 643143433 /nfs/dbraw/zinc/14/34/33/643143433.db2.gz BIAHQWNJYKKWRI-OCCSQVGLSA-N 2 1 248.370 2.402 20 10 BECDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817980737 644994108 /nfs/dbraw/zinc/99/41/08/644994108.db2.gz WRJGUILDQZVIKB-YPMHNXCESA-N 2 1 235.375 2.141 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(O)c1 ZINC000817983388 644995540 /nfs/dbraw/zinc/99/55/40/644995540.db2.gz BPKGYUAYEBCMFE-CHWSQXEVSA-N 2 1 248.370 2.493 20 10 BECDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2O)[C@H]1CC[NH3+] ZINC000404434785 971161957 /nfs/dbraw/zinc/16/19/57/971161957.db2.gz QRCJAHREEWVPJT-OCCSQVGLSA-N 2 1 248.370 2.342 20 10 BECDMP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000224886189 965197785 /nfs/dbraw/zinc/19/77/85/965197785.db2.gz OTBOHBLBBRMDBC-JSGCOSHPSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000224886189 965197792 /nfs/dbraw/zinc/19/77/92/965197792.db2.gz OTBOHBLBBRMDBC-JSGCOSHPSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205109329 965824864 /nfs/dbraw/zinc/82/48/64/965824864.db2.gz FQGKZNLGCWTNOZ-CYBMUJFWSA-N 2 1 234.343 2.014 20 10 BECDMP CC[N@H+](C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203561357 966688489 /nfs/dbraw/zinc/68/84/89/966688489.db2.gz SEFXLWMIUFIRJD-UHFFFAOYSA-N 2 1 248.370 2.308 20 10 BECDMP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203561357 966688495 /nfs/dbraw/zinc/68/84/95/966688495.db2.gz SEFXLWMIUFIRJD-UHFFFAOYSA-N 2 1 248.370 2.308 20 10 BECDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093858 967339233 /nfs/dbraw/zinc/33/92/33/967339233.db2.gz GULJWHKRLVYPCL-AWEZNQCLSA-N 2 1 247.386 2.066 20 10 BECDMP CCc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205124360 967373042 /nfs/dbraw/zinc/37/30/42/967373042.db2.gz OZHDYHZEHQFYPE-AWEZNQCLSA-N 2 1 248.370 2.268 20 10 BECDMP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2CN)c(O)c1 ZINC001205831132 967840712 /nfs/dbraw/zinc/84/07/12/967840712.db2.gz WNLUEEMYHVREBQ-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205831132 967840718 /nfs/dbraw/zinc/84/07/18/967840718.db2.gz WNLUEEMYHVREBQ-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205831132 967840724 /nfs/dbraw/zinc/84/07/24/967840724.db2.gz WNLUEEMYHVREBQ-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP CC(C)([NH3+])C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001331420433 974712119 /nfs/dbraw/zinc/71/21/19/974712119.db2.gz XTLRHDAQAKHWPT-UHFFFAOYSA-N 2 1 247.386 2.114 20 10 BECDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N)cc1 ZINC001334775506 976645513 /nfs/dbraw/zinc/64/55/13/976645513.db2.gz ZXEDAZMKCWCHBW-CQSZACIVSA-N 2 1 235.375 2.074 20 10 BECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N)cc2)C1 ZINC001336118659 977518102 /nfs/dbraw/zinc/51/81/02/977518102.db2.gz ZNQYCXIAVHEJGP-AWEZNQCLSA-N 2 1 247.386 2.042 20 10 BECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336118659 977518112 /nfs/dbraw/zinc/51/81/12/977518112.db2.gz ZNQYCXIAVHEJGP-AWEZNQCLSA-N 2 1 247.386 2.042 20 10 BECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336118659 977518120 /nfs/dbraw/zinc/51/81/20/977518120.db2.gz ZNQYCXIAVHEJGP-AWEZNQCLSA-N 2 1 247.386 2.042 20 10 BECDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC001206318063 978512525 /nfs/dbraw/zinc/51/25/25/978512525.db2.gz LWNSSMUCUZSOMS-HNNXBMFYSA-N 2 1 247.386 2.220 20 10 BECDMP Cc1cccc(O)c1C[N@H+](C)C1CCN(C)CC1 ZINC001237482491 979910443 /nfs/dbraw/zinc/91/04/43/979910443.db2.gz LDWLKOKXVPKYLP-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP Cc1cccc(O)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001237482491 979910449 /nfs/dbraw/zinc/91/04/49/979910449.db2.gz LDWLKOKXVPKYLP-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP Cc1cccc(O)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001237482491 979910453 /nfs/dbraw/zinc/91/04/53/979910453.db2.gz LDWLKOKXVPKYLP-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345106368 980551354 /nfs/dbraw/zinc/55/13/54/980551354.db2.gz YIAOOQPGMWSHHB-OLZOCXBDSA-N 2 1 247.386 2.112 20 10 BECDMP CC[NH+]1CCC(C[N@H+](C)c2ccc(N)cc2)CC1 ZINC001577763645 984730576 /nfs/dbraw/zinc/73/05/76/984730576.db2.gz GQELGQHJIPFBTC-UHFFFAOYSA-N 2 1 247.386 2.437 20 10 BECDMP CC[NH+]1CCC(C[N@@H+](C)c2ccc(N)cc2)CC1 ZINC001577763645 984730604 /nfs/dbraw/zinc/73/06/04/984730604.db2.gz GQELGQHJIPFBTC-UHFFFAOYSA-N 2 1 247.386 2.437 20 10 BECDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@H](C)C[NH3+] ZINC001325756131 989255548 /nfs/dbraw/zinc/25/55/48/989255548.db2.gz QCAPTHDKOBVPQG-HBNTYKKESA-N 2 1 234.343 2.186 20 10 BECDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326077384 989364400 /nfs/dbraw/zinc/36/44/00/989364400.db2.gz WFKYNFCPTSNTHE-CQSZACIVSA-N 2 1 247.386 2.114 20 10 BECDMP Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC001262487904 992892978 /nfs/dbraw/zinc/89/29/78/992892978.db2.gz JVEGHDCRTMUZIO-HNNXBMFYSA-N 2 1 247.386 2.266 20 10 BECDMP C[N@H+](Cc1ccccc1O)CC1CC[NH+](C)CC1 ZINC000134000771 384325219 /nfs/dbraw/zinc/32/52/19/384325219.db2.gz DWMFRLXNFTWOFS-UHFFFAOYSA-N 2 1 248.370 2.166 20 10 BECDMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000128392195 385028677 /nfs/dbraw/zinc/02/86/77/385028677.db2.gz VOJKTIWQNBRZQD-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000128392195 385028686 /nfs/dbraw/zinc/02/86/86/385028686.db2.gz VOJKTIWQNBRZQD-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000128392195 385028693 /nfs/dbraw/zinc/02/86/93/385028693.db2.gz VOJKTIWQNBRZQD-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530177975 324509860 /nfs/dbraw/zinc/50/98/60/324509860.db2.gz MDYWRYPNDZUHEC-CYBMUJFWSA-N 2 1 246.354 2.075 20 10 BECDMP CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1O ZINC000902451964 584607448 /nfs/dbraw/zinc/60/74/48/584607448.db2.gz ZIBKEBMLOFIIEN-JSGCOSHPSA-N 2 1 248.370 2.431 20 10 BECDMP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000903977742 584832872 /nfs/dbraw/zinc/83/28/72/584832872.db2.gz YCKJQFDEVJIGGR-CHWSQXEVSA-N 2 1 248.370 2.117 20 10 BECDMP CCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315997 584862558 /nfs/dbraw/zinc/86/25/58/584862558.db2.gz IEQPKRQFEPATMU-XBXGTLAGSA-N 2 1 248.370 2.342 20 10 BECDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904351031 584869597 /nfs/dbraw/zinc/86/95/97/584869597.db2.gz SRJPZRWOYDZXIX-CQSZACIVSA-N 2 1 248.370 2.085 20 10 BECDMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904412385 584879956 /nfs/dbraw/zinc/87/99/56/584879956.db2.gz USXQCCOVTQKHHH-QWHCGFSZSA-N 2 1 248.370 2.117 20 10 BECDMP C[C@@H]([NH2+]CC[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000817934652 586842894 /nfs/dbraw/zinc/84/28/94/586842894.db2.gz MGYLZWCOCFRQEN-CYBMUJFWSA-N 2 1 247.386 2.286 20 10 BECDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(O)c1 ZINC000817952210 586847538 /nfs/dbraw/zinc/84/75/38/586847538.db2.gz OOQXZHNEZTUBGC-QWHCGFSZSA-N 2 1 248.370 2.412 20 10 BECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000817951242 586848263 /nfs/dbraw/zinc/84/82/63/586848263.db2.gz CGJGDPNVROGIQW-RYUDHWBXSA-N 2 1 234.343 2.103 20 10 BECDMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817966596 586855562 /nfs/dbraw/zinc/85/55/62/586855562.db2.gz QYBINSFIGSBWSN-GHMZBOCLSA-N 2 1 248.370 2.269 20 10 BECDMP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000817972125 586859453 /nfs/dbraw/zinc/85/94/53/586859453.db2.gz JZURNNBSTONPEH-VXGBXAGGSA-N 2 1 236.359 2.349 20 10 BECDMP CCCC[N@@H+](CCC[NH3+])Cc1ccccc1O ZINC000841019648 587935774 /nfs/dbraw/zinc/93/57/74/587935774.db2.gz MOAAYXQGCNURBM-UHFFFAOYSA-N 2 1 236.359 2.343 20 10 BECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(C)c1O ZINC000841029800 587936272 /nfs/dbraw/zinc/93/62/72/587936272.db2.gz SILBHAYGWVNDHG-CYBMUJFWSA-N 2 1 236.359 2.308 20 10 BECDMP CC[C@H]([NH3+])C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841071377 587942465 /nfs/dbraw/zinc/94/24/65/587942465.db2.gz FDMYLCLQAOSLBD-GXMNPTEKSA-N 2 1 247.386 2.093 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000843058694 588078143 /nfs/dbraw/zinc/07/81/43/588078143.db2.gz WGWOQKJOEINRTD-CHWSQXEVSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000846701590 588283645 /nfs/dbraw/zinc/28/36/45/588283645.db2.gz CVEUDIUXULRQCF-WCQYABFASA-N 2 1 234.343 2.012 20 10 BECDMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C)cc1O ZINC000863547702 589298519 /nfs/dbraw/zinc/29/85/19/589298519.db2.gz VVMUINUCGFNXAV-FPMFFAJLSA-N 2 1 248.370 2.492 20 10 BECDMP Cc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1O ZINC000124538030 590047745 /nfs/dbraw/zinc/04/77/45/590047745.db2.gz DCPSSYSROWVRBK-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000131498617 591613781 /nfs/dbraw/zinc/61/37/81/591613781.db2.gz SINQFGQPJJHTAK-WCQYABFASA-N 2 1 234.343 2.012 20 10 BECDMP CCN1CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC000131566376 591623035 /nfs/dbraw/zinc/62/30/35/591623035.db2.gz LCCQNLHOMFGKHA-UHFFFAOYSA-N 2 1 248.370 2.308 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163443118 636727406 /nfs/dbraw/zinc/72/74/06/636727406.db2.gz AOPAWFAZGJIJNZ-GXTWGEPZSA-N 2 1 248.370 2.117 20 10 BECDMP C[N@@H+](Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746520 641534094 /nfs/dbraw/zinc/53/40/94/641534094.db2.gz ZUSGRIJVPMOLFG-PBWFPOADSA-N 2 1 246.354 2.107 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000090721790 644602793 /nfs/dbraw/zinc/60/27/93/644602793.db2.gz CJBUMQKXUXZCJQ-OCCSQVGLSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090721790 644602799 /nfs/dbraw/zinc/60/27/99/644602799.db2.gz CJBUMQKXUXZCJQ-OCCSQVGLSA-N 2 1 248.370 2.273 20 10 BECDMP CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CC[C@H]1[NH3+] ZINC000251697586 644816684 /nfs/dbraw/zinc/81/66/84/644816684.db2.gz ITFXYYSWWCKBDM-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(O)c1 ZINC000817983389 644994626 /nfs/dbraw/zinc/99/46/26/644994626.db2.gz BPKGYUAYEBCMFE-OLZOCXBDSA-N 2 1 248.370 2.493 20 10 BECDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817980735 644995640 /nfs/dbraw/zinc/99/56/40/644995640.db2.gz WRJGUILDQZVIKB-WCQYABFASA-N 2 1 235.375 2.141 20 10 BECDMP Cc1ccc(O)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000211423036 645837769 /nfs/dbraw/zinc/83/77/69/645837769.db2.gz VSSFOLATPZXJJK-UHFFFAOYSA-N 2 1 236.359 2.084 20 10 BECDMP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000925787108 646482570 /nfs/dbraw/zinc/48/25/70/646482570.db2.gz WRJMDMNKAZQTGQ-JHJVBQTASA-N 2 1 248.370 2.268 20 10 BECDMP C[C@H](CC[NH2+]Cc1ccc2c(c1)CCO2)[NH+](C)C ZINC000700521772 711996702 /nfs/dbraw/zinc/99/67/02/711996702.db2.gz BJPYNICNHVHFNJ-GFCCVEGCSA-N 2 1 248.370 2.051 20 10 BECDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000700822715 712007943 /nfs/dbraw/zinc/00/79/43/712007943.db2.gz IVTZKBSGJQHABX-CYBMUJFWSA-N 2 1 248.370 2.214 20 10 BECDMP C[C@H]1CCC[N@@H+](Cc2ccccc2O)[C@H]1CC[NH3+] ZINC000404434784 971163915 /nfs/dbraw/zinc/16/39/15/971163915.db2.gz QRCJAHREEWVPJT-JSGCOSHPSA-N 2 1 248.370 2.342 20 10 BECDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205110351 965834832 /nfs/dbraw/zinc/83/48/32/965834832.db2.gz STQGDTYKFAGZQB-CYBMUJFWSA-N 2 1 248.370 2.322 20 10 BECDMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC001205145883 966043674 /nfs/dbraw/zinc/04/36/74/966043674.db2.gz LJSNHKILZBLWLZ-QWHCGFSZSA-N 2 1 248.370 2.036 20 10 BECDMP CC(C)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204802033 967176111 /nfs/dbraw/zinc/17/61/11/967176111.db2.gz ZOGUHMIPMFHYRS-OAHLLOKOSA-N 2 1 248.370 2.439 20 10 BECDMP CC(C)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204802033 967176117 /nfs/dbraw/zinc/17/61/17/967176117.db2.gz ZOGUHMIPMFHYRS-OAHLLOKOSA-N 2 1 248.370 2.439 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205068680 967324514 /nfs/dbraw/zinc/32/45/14/967324514.db2.gz MJQYHMZRRVACSO-AAEUAGOBSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205068680 967324522 /nfs/dbraw/zinc/32/45/22/967324522.db2.gz MJQYHMZRRVACSO-AAEUAGOBSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1cc(C)c(C[N@H+]2[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205076159 967327458 /nfs/dbraw/zinc/32/74/58/967327458.db2.gz QBJJMOWZCKGEEJ-STQMWFEESA-N 2 1 248.370 2.321 20 10 BECDMP Cc1cc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205076159 967327475 /nfs/dbraw/zinc/32/74/75/967327475.db2.gz QBJJMOWZCKGEEJ-STQMWFEESA-N 2 1 248.370 2.321 20 10 BECDMP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(O)c1 ZINC001206622493 968423724 /nfs/dbraw/zinc/42/37/24/968423724.db2.gz DBRTUNWRZUNYPE-ZDUSSCGKSA-N 2 1 248.370 2.261 20 10 BECDMP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1O ZINC001254507742 969680073 /nfs/dbraw/zinc/68/00/73/969680073.db2.gz COWIEDNJDHOQLS-CQSZACIVSA-N 2 1 248.370 2.275 20 10 BECDMP C[N@@H+](Cc1ccccc1O)[C@@H]1CCC[NH+](C)CC1 ZINC001254530363 969724532 /nfs/dbraw/zinc/72/45/32/969724532.db2.gz WNKKRNLWHQSVAH-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP C[NH+](Cc1ccccc1O)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530363 969724541 /nfs/dbraw/zinc/72/45/41/969724541.db2.gz WNKKRNLWHQSVAH-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP C[NH+](Cc1ccccc1O)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530363 969724548 /nfs/dbraw/zinc/72/45/48/969724548.db2.gz WNKKRNLWHQSVAH-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP C[N@@H+](Cc1ccccc1O)[C@H]1CCC[NH+](C)CC1 ZINC001254530362 969731460 /nfs/dbraw/zinc/73/14/60/969731460.db2.gz WNKKRNLWHQSVAH-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP C[NH+](Cc1ccccc1O)[C@H]1CCC[N@H+](C)CC1 ZINC001254530362 969731468 /nfs/dbraw/zinc/73/14/68/969731468.db2.gz WNKKRNLWHQSVAH-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP C[NH+](Cc1ccccc1O)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530362 969731481 /nfs/dbraw/zinc/73/14/81/969731481.db2.gz WNKKRNLWHQSVAH-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N)cc1 ZINC001334775505 976643564 /nfs/dbraw/zinc/64/35/64/976643564.db2.gz ZXEDAZMKCWCHBW-AWEZNQCLSA-N 2 1 235.375 2.074 20 10 BECDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(N)cc1 ZINC001336119715 977520057 /nfs/dbraw/zinc/52/00/57/977520057.db2.gz SMOMXIMMKAVOFP-UHFFFAOYSA-N 2 1 235.375 2.220 20 10 BECDMP CCC[N@@H+](Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001236185121 979438485 /nfs/dbraw/zinc/43/84/85/979438485.db2.gz WSONUWFIIVLLDK-UHFFFAOYSA-N 2 1 247.386 2.233 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205831644 982680325 /nfs/dbraw/zinc/68/03/25/982680325.db2.gz YFWXFXZVJOEKDF-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205831644 982680333 /nfs/dbraw/zinc/68/03/33/982680333.db2.gz YFWXFXZVJOEKDF-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP C[NH+]1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000295962467 388416169 /nfs/dbraw/zinc/41/61/69/388416169.db2.gz MFYJFXUJVHMAGN-CYBMUJFWSA-N 2 1 246.354 2.063 20 10 BECDMP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000530177976 388622121 /nfs/dbraw/zinc/62/21/21/388622121.db2.gz MDYWRYPNDZUHEC-ZDUSSCGKSA-N 2 1 246.354 2.075 20 10 BECDMP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000854232442 588781274 /nfs/dbraw/zinc/78/12/74/588781274.db2.gz PVGQMFBFBNCZRD-CMPLNLGQSA-N 2 1 236.359 2.268 20 10 BECDMP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000854233136 588781303 /nfs/dbraw/zinc/78/13/03/588781303.db2.gz YCKQDCJQKOQWDE-NWDGAFQWSA-N 2 1 236.359 2.268 20 10 BECDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2O)CC1(C)C ZINC000858120837 588933926 /nfs/dbraw/zinc/93/39/26/588933926.db2.gz NRAVGWLUTDOJSZ-CYBMUJFWSA-N 2 1 248.370 2.355 20 10 BECDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2O)CC1(C)C ZINC000858120838 588934097 /nfs/dbraw/zinc/93/40/97/588934097.db2.gz NRAVGWLUTDOJSZ-ZDUSSCGKSA-N 2 1 248.370 2.355 20 10 BECDMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(C)cc1O ZINC000817965910 584993155 /nfs/dbraw/zinc/99/31/55/584993155.db2.gz FCGAOZLJSFONCJ-ZYHUDNBSSA-N 2 1 222.332 2.089 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(O)c1C ZINC000817952784 586849169 /nfs/dbraw/zinc/84/91/69/586849169.db2.gz SDLCHQQASVQIDQ-CHWSQXEVSA-N 2 1 248.370 2.412 20 10 BECDMP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817963021 586852778 /nfs/dbraw/zinc/85/27/78/586852778.db2.gz QHGPLHSMGRJHRC-BXKDBHETSA-N 2 1 240.322 2.167 20 10 BECDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1O ZINC000817961461 586852980 /nfs/dbraw/zinc/85/29/80/586852980.db2.gz ZFJYYOWKHXFKMP-OLZOCXBDSA-N 2 1 234.343 2.170 20 10 BECDMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817964540 586853672 /nfs/dbraw/zinc/85/36/72/586853672.db2.gz CBWSSDNAZJUPMQ-NHYWBVRUSA-N 2 1 247.386 2.141 20 10 BECDMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817964538 586854042 /nfs/dbraw/zinc/85/40/42/586854042.db2.gz CBWSSDNAZJUPMQ-IAQYHMDHSA-N 2 1 247.386 2.141 20 10 BECDMP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000817970253 586857301 /nfs/dbraw/zinc/85/73/01/586857301.db2.gz PVDSDIKIKZAJEH-NWDGAFQWSA-N 2 1 235.375 2.141 20 10 BECDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000817970254 586857721 /nfs/dbraw/zinc/85/77/21/586857721.db2.gz PVDSDIKIKZAJEH-RYUDHWBXSA-N 2 1 235.375 2.141 20 10 BECDMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000817970563 586858403 /nfs/dbraw/zinc/85/84/03/586858403.db2.gz ZZEMRYNDGZXZNT-SMDDNHRTSA-N 2 1 235.375 2.141 20 10 BECDMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC000841008157 587934848 /nfs/dbraw/zinc/93/48/48/587934848.db2.gz WGDBJMFJXUNSJJ-CHWSQXEVSA-N 2 1 248.370 2.212 20 10 BECDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841030388 587935970 /nfs/dbraw/zinc/93/59/70/587935970.db2.gz HCSPIKGSAJYNPB-UHFFFAOYSA-N 2 1 248.370 2.229 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000841037922 587937797 /nfs/dbraw/zinc/93/77/97/587937797.db2.gz CWJCNYSNBYNMCN-ZDUSSCGKSA-N 2 1 236.359 2.164 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000841087412 587945601 /nfs/dbraw/zinc/94/56/01/587945601.db2.gz NOGQOYHVNPWUED-CYBMUJFWSA-N 2 1 236.359 2.164 20 10 BECDMP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843051788 588077237 /nfs/dbraw/zinc/07/72/37/588077237.db2.gz LRRRSMGVROUKEF-QWHCGFSZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000843057002 588078077 /nfs/dbraw/zinc/07/80/77/588078077.db2.gz FBSHCKVLDBYTHQ-CHWSQXEVSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cc(O)c(C[N@@H+](C)C2(C[NH3+])CCC2)cc1C ZINC000843124509 588083394 /nfs/dbraw/zinc/08/33/94/588083394.db2.gz BRBXHLIVSUFYRR-UHFFFAOYSA-N 2 1 248.370 2.322 20 10 BECDMP Cc1cc(O)c(C[N@H+](C)C2(C[NH3+])CCC2)cc1C ZINC000843124509 588083396 /nfs/dbraw/zinc/08/33/96/588083396.db2.gz BRBXHLIVSUFYRR-UHFFFAOYSA-N 2 1 248.370 2.322 20 10 BECDMP CCC[N@H+](Cc1ccccc1O)C[C@@H]1CC[NH2+]C1 ZINC000843358411 588104070 /nfs/dbraw/zinc/10/40/70/588104070.db2.gz NPPGBOBZTURGAI-CYBMUJFWSA-N 2 1 248.370 2.214 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000846701586 588283912 /nfs/dbraw/zinc/28/39/12/588283912.db2.gz CVEUDIUXULRQCF-AAEUAGOBSA-N 2 1 234.343 2.012 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000863543346 589296870 /nfs/dbraw/zinc/29/68/70/589296870.db2.gz MWBXFUKVMVFMDQ-WCFLWFBJSA-N 2 1 234.343 2.183 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000863542813 589296888 /nfs/dbraw/zinc/29/68/88/589296888.db2.gz GHALNMSAFPLMMD-FPMFFAJLSA-N 2 1 248.370 2.492 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000863543518 589296968 /nfs/dbraw/zinc/29/69/68/589296968.db2.gz PSENRTGSBBFOSQ-XQQFMLRXSA-N 2 1 246.354 2.110 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000863543327 589297384 /nfs/dbraw/zinc/29/73/84/589297384.db2.gz MLMOGXSCFQYVMV-FPMFFAJLSA-N 2 1 248.370 2.492 20 10 BECDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C)cc1O ZINC000863547704 589298376 /nfs/dbraw/zinc/29/83/76/589298376.db2.gz VVMUINUCGFNXAV-IACUBPJLSA-N 2 1 248.370 2.492 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230423 590001811 /nfs/dbraw/zinc/00/18/11/590001811.db2.gz RFGHINZSBXEKTI-HUUCEWRRSA-N 2 1 246.354 2.075 20 10 BECDMP Cc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230655 590003013 /nfs/dbraw/zinc/00/30/13/590003013.db2.gz VNTQVJMAZRXZFD-UKRRQHHQSA-N 2 1 246.354 2.075 20 10 BECDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC000876730619 590234022 /nfs/dbraw/zinc/23/40/22/590234022.db2.gz IAQOEOSPUWHAML-ZDUSSCGKSA-N 2 1 248.370 2.084 20 10 BECDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(O)c1 ZINC000876730618 590234120 /nfs/dbraw/zinc/23/41/20/590234120.db2.gz IAQOEOSPUWHAML-CYBMUJFWSA-N 2 1 248.370 2.084 20 10 BECDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1 ZINC000877070920 590277565 /nfs/dbraw/zinc/27/75/65/590277565.db2.gz YUMXOBSNQCCHHA-JSGCOSHPSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000877070920 590277566 /nfs/dbraw/zinc/27/75/66/590277566.db2.gz YUMXOBSNQCCHHA-JSGCOSHPSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163443223 636727288 /nfs/dbraw/zinc/72/72/88/636727288.db2.gz AOPAWFAZGJIJNZ-TZMCWYRMSA-N 2 1 248.370 2.117 20 10 BECDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000071409446 643142247 /nfs/dbraw/zinc/14/22/47/643142247.db2.gz YGJPBLOVFJGUEZ-CYBMUJFWSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000709049621 712206618 /nfs/dbraw/zinc/20/66/18/712206618.db2.gz LJJFISTUNPATBF-AWEZNQCLSA-N 2 1 248.370 2.404 20 10 BECDMP CCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205124361 967370061 /nfs/dbraw/zinc/37/00/61/967370061.db2.gz OZHDYHZEHQFYPE-CQSZACIVSA-N 2 1 248.370 2.268 20 10 BECDMP C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)CC[C@@H]1C[NH3+] ZINC001205638860 967736566 /nfs/dbraw/zinc/73/65/66/967736566.db2.gz SPPJNQYPVAAVNG-GXTWGEPZSA-N 2 1 247.386 2.076 20 10 BECDMP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2CN)c(O)c1 ZINC001205831133 967842845 /nfs/dbraw/zinc/84/28/45/967842845.db2.gz WNLUEEMYHVREBQ-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205831133 967842851 /nfs/dbraw/zinc/84/28/51/967842851.db2.gz WNLUEEMYHVREBQ-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205831133 967842853 /nfs/dbraw/zinc/84/28/53/967842853.db2.gz WNLUEEMYHVREBQ-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CCC[C@@H]1C[NH3+] ZINC001205982101 967920168 /nfs/dbraw/zinc/92/01/68/967920168.db2.gz KNQZHZXVPZCGRW-CHWSQXEVSA-N 2 1 248.370 2.199 20 10 BECDMP C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCC[C@H]1C[NH3+] ZINC001206023131 967980832 /nfs/dbraw/zinc/98/08/32/967980832.db2.gz DGUZKCWESRXKPY-JSGCOSHPSA-N 2 1 247.386 2.076 20 10 BECDMP CC(C)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206737803 968451822 /nfs/dbraw/zinc/45/18/22/968451822.db2.gz RQVWQJWMXVDXCJ-UHFFFAOYSA-N 2 1 248.370 2.296 20 10 BECDMP CCC[N@H+](Cc1ccc(N)cc1)C[C@H]1CC[NH2+]C1 ZINC001236842655 979750213 /nfs/dbraw/zinc/75/02/13/979750213.db2.gz GWCKOWCQEPNDPY-AWEZNQCLSA-N 2 1 247.386 2.090 20 10 BECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001352790131 982581491 /nfs/dbraw/zinc/58/14/91/982581491.db2.gz OWXMDEKGYIBHAQ-YRGRVCCFSA-N 2 1 247.386 2.074 20 10 BECDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC001579691263 986184767 /nfs/dbraw/zinc/18/47/67/986184767.db2.gz UAVFFTIKTIFOCN-CHWSQXEVSA-N 2 1 248.370 2.117 20 10 BECDMP CCN1CCC([N@@H+](C)Cc2ccc(N)cc2)CC1 ZINC000042614145 1171240482 /nfs/dbraw/zinc/24/04/82/1171240482.db2.gz VLERYBOZLFNLQY-UHFFFAOYSA-N 2 1 247.386 2.185 20 10 BECDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N)cc2)CC1 ZINC000042614145 1171240492 /nfs/dbraw/zinc/24/04/92/1171240492.db2.gz VLERYBOZLFNLQY-UHFFFAOYSA-N 2 1 247.386 2.185 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000180230066 179079585 /nfs/dbraw/zinc/07/95/85/179079585.db2.gz MRBFRIRAQCBUQP-ZDUSSCGKSA-N 2 1 248.370 2.084 20 10 BECDMP CC[NH+]1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000071408228 384166710 /nfs/dbraw/zinc/16/67/10/384166710.db2.gz QJYKVWLSQJJKKG-UHFFFAOYSA-N 2 1 248.370 2.275 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000179637302 385480074 /nfs/dbraw/zinc/48/00/74/385480074.db2.gz MJYKZOGGHFCPGE-ZDUSSCGKSA-N 2 1 248.370 2.084 20 10 BECDMP C[NH+]1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295962469 388415431 /nfs/dbraw/zinc/41/54/31/388415431.db2.gz MFYJFXUJVHMAGN-ZDUSSCGKSA-N 2 1 246.354 2.063 20 10 BECDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000249377494 170017250 /nfs/dbraw/zinc/01/72/50/170017250.db2.gz MDHKCSBVURRMAA-CHWSQXEVSA-N 2 1 248.370 2.385 20 10 BECDMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2O)CC[N@@H+]1C ZINC000179579712 177364614 /nfs/dbraw/zinc/36/46/14/177364614.db2.gz HFPNXVCRNNKZCV-GXTWGEPZSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2O)CC[N@H+]1C ZINC000179579712 177364615 /nfs/dbraw/zinc/36/46/15/177364615.db2.gz HFPNXVCRNNKZCV-GXTWGEPZSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CC[NH+]1C ZINC000179579712 177364616 /nfs/dbraw/zinc/36/46/16/177364616.db2.gz HFPNXVCRNNKZCV-GXTWGEPZSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)CC[NH+]1C ZINC000179579712 177364617 /nfs/dbraw/zinc/36/46/17/177364617.db2.gz HFPNXVCRNNKZCV-GXTWGEPZSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000530219804 324537898 /nfs/dbraw/zinc/53/78/98/324537898.db2.gz MZUIHFKIRQTVQY-BXUZGUMPSA-N 2 1 246.354 2.327 20 10 BECDMP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000530219809 324538221 /nfs/dbraw/zinc/53/82/21/324538221.db2.gz MZUIHFKIRQTVQY-RISCZKNCSA-N 2 1 246.354 2.327 20 10 BECDMP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(C)cc1O ZINC000854231352 588781288 /nfs/dbraw/zinc/78/12/88/588781288.db2.gz GHITXXGFHBDPSQ-WCQYABFASA-N 2 1 236.359 2.349 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC000904406350 584878366 /nfs/dbraw/zinc/87/83/66/584878366.db2.gz QONPPAPVNFSDKP-CYBMUJFWSA-N 2 1 248.370 2.180 20 10 BECDMP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(F)cc1O ZINC000817977894 584994126 /nfs/dbraw/zinc/99/41/26/584994126.db2.gz RFHUPUJQQFPMGX-VHSXEESVSA-N 2 1 240.322 2.309 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000843052401 585333147 /nfs/dbraw/zinc/33/31/47/585333147.db2.gz SOEKPJDVWZKLTO-SMDDNHRTSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000843052401 585333148 /nfs/dbraw/zinc/33/31/48/585333148.db2.gz SOEKPJDVWZKLTO-SMDDNHRTSA-N 2 1 248.370 2.260 20 10 BECDMP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1O ZINC000817951351 586848046 /nfs/dbraw/zinc/84/80/46/586848046.db2.gz DHALVKIETJFKDI-JOYOIKCWSA-N 2 1 240.322 2.309 20 10 BECDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(O)c1 ZINC000817951449 586848132 /nfs/dbraw/zinc/84/81/32/586848132.db2.gz FVMJWSVXOIDAEW-NWDGAFQWSA-N 2 1 234.343 2.103 20 10 BECDMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000817952857 586848501 /nfs/dbraw/zinc/84/85/01/586848501.db2.gz VNXDVQMYBBDVJJ-WCQYABFASA-N 2 1 234.343 2.185 20 10 BECDMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000817952858 586848700 /nfs/dbraw/zinc/84/87/00/586848700.db2.gz VNXDVQMYBBDVJJ-YPMHNXCESA-N 2 1 234.343 2.185 20 10 BECDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C)cc1O ZINC000817959728 586851426 /nfs/dbraw/zinc/85/14/26/586851426.db2.gz HRHADEZKKOVLGS-KBPBESRZSA-N 2 1 248.370 2.479 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(O)c1C ZINC000817970439 586857182 /nfs/dbraw/zinc/85/71/82/586857182.db2.gz VGXMRLZTHDXYFS-GXSJLCMTSA-N 2 1 222.332 2.007 20 10 BECDMP CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000841031747 587937284 /nfs/dbraw/zinc/93/72/84/587937284.db2.gz ZZLQHGQMQIVXTO-WAYWQWQTSA-N 2 1 247.386 2.093 20 10 BECDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841038604 587937875 /nfs/dbraw/zinc/93/78/75/587937875.db2.gz LRLIDVAGPQRLST-CQSZACIVSA-N 2 1 248.370 2.085 20 10 BECDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841039069 587938482 /nfs/dbraw/zinc/93/84/82/587938482.db2.gz ZFEZPMZYSBYMNA-AWEZNQCLSA-N 2 1 249.402 2.216 20 10 BECDMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841076603 587944003 /nfs/dbraw/zinc/94/40/03/587944003.db2.gz JXNPWTDXUHDEGY-AAAGKOELSA-N 2 1 247.386 2.091 20 10 BECDMP CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)CC[C@@H]1[NH3+] ZINC000843052095 588076552 /nfs/dbraw/zinc/07/65/52/588076552.db2.gz MNKOHTVDOHMZPQ-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1C ZINC000843053172 588077291 /nfs/dbraw/zinc/07/72/91/588077291.db2.gz YXSAKJFSSDIDAC-GXTWGEPZSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000843057003 588077487 /nfs/dbraw/zinc/07/74/87/588077487.db2.gz FBSHCKVLDBYTHQ-OLZOCXBDSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000843057004 588077719 /nfs/dbraw/zinc/07/77/19/588077719.db2.gz FBSHCKVLDBYTHQ-QWHCGFSZSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1O ZINC000843112313 588081999 /nfs/dbraw/zinc/08/19/99/588081999.db2.gz GQUISTFKRFQHBO-CYBMUJFWSA-N 2 1 248.370 2.261 20 10 BECDMP Nc1ccc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000843125747 588084649 /nfs/dbraw/zinc/08/46/49/588084649.db2.gz HBXSRNTUQAPPCN-JTNHKYCSSA-N 2 1 231.343 2.069 20 10 BECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1O ZINC000207756389 589597476 /nfs/dbraw/zinc/59/74/76/589597476.db2.gz GLOGPRJLAOQDEU-UHFFFAOYSA-N 2 1 245.326 2.077 20 10 BECDMP Cc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230654 590003333 /nfs/dbraw/zinc/00/33/33/590003333.db2.gz VNTQVJMAZRXZFD-HIFRSBDPSA-N 2 1 246.354 2.075 20 10 BECDMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000124846149 590094441 /nfs/dbraw/zinc/09/44/41/590094441.db2.gz OTBOHBLBBRMDBC-TZMCWYRMSA-N 2 1 248.370 2.273 20 10 BECDMP CC[NH+]1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876889331 590254540 /nfs/dbraw/zinc/25/45/40/590254540.db2.gz KJCSRBMSCNHLPG-UHFFFAOYSA-N 2 1 248.370 2.275 20 10 BECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000876944135 590259359 /nfs/dbraw/zinc/25/93/59/590259359.db2.gz ZVJBCLZFLHUSIA-CYBMUJFWSA-N 2 1 248.370 2.132 20 10 BECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000876942674 590259487 /nfs/dbraw/zinc/25/94/87/590259487.db2.gz ATIHMXBNJQQMJE-CYBMUJFWSA-N 2 1 248.370 2.132 20 10 BECDMP CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCC[NH2+]1 ZINC000233113648 642651859 /nfs/dbraw/zinc/65/18/59/642651859.db2.gz XTKZHOCNNVDWOZ-CQSZACIVSA-N 2 1 248.370 2.356 20 10 BECDMP CCC[N@H+](Cc1ccccc1O)C[C@H]1CCC[NH2+]1 ZINC000233113648 642651867 /nfs/dbraw/zinc/65/18/67/642651867.db2.gz XTKZHOCNNVDWOZ-CQSZACIVSA-N 2 1 248.370 2.356 20 10 BECDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000070148363 642977959 /nfs/dbraw/zinc/97/79/59/642977959.db2.gz CMIMUNJHUNZBMC-CYBMUJFWSA-N 2 1 234.343 2.096 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723901912 711545068 /nfs/dbraw/zinc/54/50/68/711545068.db2.gz TUDDHOCDGSCJBY-CHWSQXEVSA-N 2 1 248.370 2.117 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000227185117 965259788 /nfs/dbraw/zinc/25/97/88/965259788.db2.gz JVKUPDYPRWRGTA-QWHCGFSZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205109330 965824951 /nfs/dbraw/zinc/82/49/51/965824951.db2.gz FQGKZNLGCWTNOZ-ZDUSSCGKSA-N 2 1 234.343 2.014 20 10 BECDMP C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)CC[C@H]1C[NH3+] ZINC001205638861 967733086 /nfs/dbraw/zinc/73/30/86/967733086.db2.gz SPPJNQYPVAAVNG-JSGCOSHPSA-N 2 1 247.386 2.076 20 10 BECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)CC[C@H]1C[NH3+] ZINC001205638862 967734692 /nfs/dbraw/zinc/73/46/92/967734692.db2.gz SPPJNQYPVAAVNG-OCCSQVGLSA-N 2 1 247.386 2.076 20 10 BECDMP Cc1cccc(O)c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205856022 967856307 /nfs/dbraw/zinc/85/63/07/967856307.db2.gz RXHHSQVWPOHPGS-YPMHNXCESA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205856022 967856310 /nfs/dbraw/zinc/85/63/10/967856310.db2.gz RXHHSQVWPOHPGS-YPMHNXCESA-N 2 1 248.370 2.260 20 10 BECDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001206295133 968199923 /nfs/dbraw/zinc/19/99/23/968199923.db2.gz LOBBXDBLZHTRDG-OAHLLOKOSA-N 2 1 248.370 2.343 20 10 BECDMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC001327840234 972756116 /nfs/dbraw/zinc/75/61/16/972756116.db2.gz MZFZULOGMYHOTE-ZJUUUORDSA-N 2 1 240.322 2.037 20 10 BECDMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334753930 976620609 /nfs/dbraw/zinc/62/06/09/976620609.db2.gz JCEPJKFDDAAPBX-UHFFFAOYSA-N 2 1 247.386 2.231 20 10 BECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N)cc2)C1 ZINC001336118660 977515970 /nfs/dbraw/zinc/51/59/70/977515970.db2.gz ZNQYCXIAVHEJGP-CQSZACIVSA-N 2 1 247.386 2.042 20 10 BECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336118660 977515977 /nfs/dbraw/zinc/51/59/77/977515977.db2.gz ZNQYCXIAVHEJGP-CQSZACIVSA-N 2 1 247.386 2.042 20 10 BECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336118660 977515984 /nfs/dbraw/zinc/51/59/84/977515984.db2.gz ZNQYCXIAVHEJGP-CQSZACIVSA-N 2 1 247.386 2.042 20 10 BECDMP CCc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c(O)c1 ZINC001236883852 979778059 /nfs/dbraw/zinc/77/80/59/979778059.db2.gz GLLYQFZYRIYAMJ-ZDUSSCGKSA-N 2 1 236.359 2.124 20 10 BECDMP CCc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)c(O)c1 ZINC001236883852 979778066 /nfs/dbraw/zinc/77/80/66/979778066.db2.gz GLLYQFZYRIYAMJ-ZDUSSCGKSA-N 2 1 236.359 2.124 20 10 BECDMP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)[C@H](C)[NH3+] ZINC001345106369 980550131 /nfs/dbraw/zinc/55/01/31/980550131.db2.gz YIAOOQPGMWSHHB-QWHCGFSZSA-N 2 1 247.386 2.112 20 10 BECDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000040621228 985147811 /nfs/dbraw/zinc/14/78/11/985147811.db2.gz LBYOASKYCBOXBF-ZDUSSCGKSA-N 2 1 248.370 2.212 20 10 BECDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000040621225 985148337 /nfs/dbraw/zinc/14/83/37/985148337.db2.gz LBYOASKYCBOXBF-CYBMUJFWSA-N 2 1 248.370 2.212 20 10 BECDMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1C ZINC000697373798 987353488 /nfs/dbraw/zinc/35/34/88/987353488.db2.gz VHVDMOKNDOLWHD-UHFFFAOYSA-N 2 1 248.370 2.189 20 10 BECDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC001325756128 989255251 /nfs/dbraw/zinc/25/52/51/989255251.db2.gz QCAPTHDKOBVPQG-AXFHLTTASA-N 2 1 234.343 2.186 20 10 BECDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N)cc1 ZINC000049333164 1171690245 /nfs/dbraw/zinc/69/02/45/1171690245.db2.gz VYQAYXQCQLWLJJ-UHFFFAOYSA-N 2 1 247.386 2.187 20 10 BECDMP Cc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1O ZINC000271850061 179090701 /nfs/dbraw/zinc/09/07/01/179090701.db2.gz STBPAKTUZAWLKG-UHFFFAOYSA-N 2 1 246.354 2.052 20 10 BECDMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1O ZINC000270941661 180252320 /nfs/dbraw/zinc/25/23/20/180252320.db2.gz YPHOKFQDTMRXSX-UHFFFAOYSA-N 2 1 245.326 2.029 20 10 BECDMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1O ZINC000270941661 180252322 /nfs/dbraw/zinc/25/23/22/180252322.db2.gz YPHOKFQDTMRXSX-UHFFFAOYSA-N 2 1 245.326 2.029 20 10 BECDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1O ZINC000037267152 383966558 /nfs/dbraw/zinc/96/65/58/383966558.db2.gz COJBMBZRDXKKEX-LLVKDONJSA-N 2 1 234.343 2.137 20 10 BECDMP CN(C)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162822854 384694426 /nfs/dbraw/zinc/69/44/26/384694426.db2.gz CKHNXGGXNRIUKJ-UHFFFAOYSA-N 2 1 242.750 2.087 20 10 BECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000179582376 385476710 /nfs/dbraw/zinc/47/67/10/385476710.db2.gz VIAMRZLUUVYOJB-CYBMUJFWSA-N 2 1 248.370 2.166 20 10 BECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179582376 385476712 /nfs/dbraw/zinc/47/67/12/385476712.db2.gz VIAMRZLUUVYOJB-CYBMUJFWSA-N 2 1 248.370 2.166 20 10 BECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000179582376 385476715 /nfs/dbraw/zinc/47/67/15/385476715.db2.gz VIAMRZLUUVYOJB-CYBMUJFWSA-N 2 1 248.370 2.166 20 10 BECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000249377497 170009320 /nfs/dbraw/zinc/00/93/20/170009320.db2.gz MDHKCSBVURRMAA-OLZOCXBDSA-N 2 1 248.370 2.385 20 10 BECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C)c2O)C1 ZINC000124713417 170017074 /nfs/dbraw/zinc/01/70/74/170017074.db2.gz UODDTHWRBGANIM-CYBMUJFWSA-N 2 1 248.370 2.132 20 10 BECDMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1C ZINC000035052492 175106614 /nfs/dbraw/zinc/10/66/14/175106614.db2.gz XMYAIKQVCURLCX-UHFFFAOYSA-N 2 1 236.359 2.045 20 10 BECDMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000854226571 588780513 /nfs/dbraw/zinc/78/05/13/588780513.db2.gz IHKQAHVKCKGLQN-GLWUULTISA-N 2 1 246.354 2.185 20 10 BECDMP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(C)cc1O ZINC000854231350 588781456 /nfs/dbraw/zinc/78/14/56/588781456.db2.gz GHITXXGFHBDPSQ-AAEUAGOBSA-N 2 1 236.359 2.349 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857226431 588895998 /nfs/dbraw/zinc/89/59/98/588895998.db2.gz NUJFXYGVQPRETI-ZFWWWQNUSA-N 2 1 246.354 2.014 20 10 BECDMP Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226683 588896405 /nfs/dbraw/zinc/89/64/05/588896405.db2.gz WHTHKVBDQVOSBJ-UKRRQHHQSA-N 2 1 246.354 2.014 20 10 BECDMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1O ZINC000902478024 584603790 /nfs/dbraw/zinc/60/37/90/584603790.db2.gz WFUHNYVHZXCHPE-RUZUBIRVSA-N 2 1 246.354 2.326 20 10 BECDMP Cc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1O ZINC000841087084 584884011 /nfs/dbraw/zinc/88/40/11/584884011.db2.gz MQCZKQCZZBMASK-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000817951241 586847960 /nfs/dbraw/zinc/84/79/60/586847960.db2.gz CGJGDPNVROGIQW-NWDGAFQWSA-N 2 1 234.343 2.103 20 10 BECDMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000817952855 586849100 /nfs/dbraw/zinc/84/91/00/586849100.db2.gz VNXDVQMYBBDVJJ-AAEUAGOBSA-N 2 1 234.343 2.185 20 10 BECDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000817960835 586851320 /nfs/dbraw/zinc/85/13/20/586851320.db2.gz SBWXFRDFIJBYEP-MFKMUULPSA-N 2 1 234.343 2.089 20 10 BECDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000817960832 586851982 /nfs/dbraw/zinc/85/19/82/586851982.db2.gz SBWXFRDFIJBYEP-GWCFXTLKSA-N 2 1 234.343 2.089 20 10 BECDMP Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)C[NH3+])c(O)c1 ZINC000817966594 586855140 /nfs/dbraw/zinc/85/51/40/586855140.db2.gz QWJNTTKAVPNQJC-GHMZBOCLSA-N 2 1 222.332 2.007 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c(O)c1C ZINC000817970440 586857761 /nfs/dbraw/zinc/85/77/61/586857761.db2.gz VGXMRLZTHDXYFS-ONGXEEELSA-N 2 1 222.332 2.007 20 10 BECDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[NH3+])c(O)c1 ZINC000817970297 586858347 /nfs/dbraw/zinc/85/83/47/586858347.db2.gz QWJNTTKAVPNQJC-QWRGUYRKSA-N 2 1 222.332 2.007 20 10 BECDMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817977893 586862120 /nfs/dbraw/zinc/86/21/20/586862120.db2.gz RFHUPUJQQFPMGX-UWVGGRQHSA-N 2 1 240.322 2.309 20 10 BECDMP CCN(CC)c1ccc(C[N@@H+](C)CCC[NH3+])cc1 ZINC000841004028 587935025 /nfs/dbraw/zinc/93/50/25/587935025.db2.gz KHVBZSLZEHEGAK-UHFFFAOYSA-N 2 1 249.402 2.313 20 10 BECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841028586 587935911 /nfs/dbraw/zinc/93/59/11/587935911.db2.gz FEMXSBOSTNBXAM-AWEZNQCLSA-N 2 1 248.370 2.229 20 10 BECDMP C[C@@H](CC[NH3+])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841051569 587939732 /nfs/dbraw/zinc/93/97/32/587939732.db2.gz QGDMHWVDCMLNIA-ZETCQYMHSA-N 2 1 246.713 2.012 20 10 BECDMP CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000841078057 587945040 /nfs/dbraw/zinc/94/50/40/587945040.db2.gz FBQJWXAHSXVXPJ-STQMWFEESA-N 2 1 249.402 2.358 20 10 BECDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841087131 587945434 /nfs/dbraw/zinc/94/54/34/587945434.db2.gz JGRXPXYEACFMKA-CQSZACIVSA-N 2 1 248.370 2.085 20 10 BECDMP Cc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1C ZINC000841086852 587946083 /nfs/dbraw/zinc/94/60/83/587946083.db2.gz PIAGRKAKBMWNDH-CQSZACIVSA-N 2 1 248.370 2.239 20 10 BECDMP Cc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1O ZINC000843056745 588077885 /nfs/dbraw/zinc/07/78/85/588077885.db2.gz YSHUFOUPRHLHAO-UHFFFAOYSA-N 2 1 236.359 2.117 20 10 BECDMP CCC[N@H+](Cc1ccccc1O)C[C@H]1CC[NH2+]C1 ZINC000843358412 588103558 /nfs/dbraw/zinc/10/35/58/588103558.db2.gz NPPGBOBZTURGAI-ZDUSSCGKSA-N 2 1 248.370 2.214 20 10 BECDMP Cc1cc(O)c(C[N@@H+](C)CC(C)(C)[NH3+])cc1C ZINC000849349576 588474490 /nfs/dbraw/zinc/47/44/90/588474490.db2.gz DLJZWQPRHWWRQB-UHFFFAOYSA-N 2 1 236.359 2.178 20 10 BECDMP Cc1cc(O)c(C[N@H+](C)CC(C)(C)[NH3+])cc1C ZINC000849349576 588474491 /nfs/dbraw/zinc/47/44/91/588474491.db2.gz DLJZWQPRHWWRQB-UHFFFAOYSA-N 2 1 236.359 2.178 20 10 BECDMP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(C)cc1O ZINC000925782594 635278396 /nfs/dbraw/zinc/27/83/96/635278396.db2.gz GRKBYUGGFAGAMY-MRVWCRGKSA-N 2 1 248.370 2.349 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(O)c1C ZINC000925782748 635279920 /nfs/dbraw/zinc/27/99/20/635279920.db2.gz HOQZBMRCROCUPU-SCDSUCTJSA-N 2 1 248.370 2.268 20 10 BECDMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000063191713 641142729 /nfs/dbraw/zinc/14/27/29/641142729.db2.gz ARWPZRCLDMNYMJ-DGCLKSJQSA-N 2 1 234.343 2.094 20 10 BECDMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000063191712 641143505 /nfs/dbraw/zinc/14/35/05/641143505.db2.gz ARWPZRCLDMNYMJ-WCQYABFASA-N 2 1 234.343 2.094 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171923 642421821 /nfs/dbraw/zinc/42/18/21/642421821.db2.gz JVKUPDYPRWRGTA-OLZOCXBDSA-N 2 1 248.370 2.260 20 10 BECDMP CCC[N@@H+](Cc1ccccc1O)CC(C)(C)[NH3+] ZINC000843060942 645256638 /nfs/dbraw/zinc/25/66/38/645256638.db2.gz SSJLPXWQFRTSHT-UHFFFAOYSA-N 2 1 236.359 2.342 20 10 BECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC000397322894 711705369 /nfs/dbraw/zinc/70/53/69/711705369.db2.gz TYSPKHNEKYQMHF-BZPMIXESSA-N 2 1 248.370 2.197 20 10 BECDMP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000131725155 962311173 /nfs/dbraw/zinc/31/11/73/962311173.db2.gz MUTPXVISADNOOW-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000131725155 962311196 /nfs/dbraw/zinc/31/11/96/962311196.db2.gz MUTPXVISADNOOW-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093859 967341187 /nfs/dbraw/zinc/34/11/87/967341187.db2.gz GULJWHKRLVYPCL-CQSZACIVSA-N 2 1 247.386 2.066 20 10 BECDMP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(O)c1 ZINC001205272952 967467055 /nfs/dbraw/zinc/46/70/55/967467055.db2.gz BBJFBZFNCUZFRR-HNNXBMFYSA-N 2 1 248.370 2.404 20 10 BECDMP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2CN)c(O)c1 ZINC001205831127 967842251 /nfs/dbraw/zinc/84/22/51/967842251.db2.gz WNLUEEMYHVREBQ-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205831127 967842258 /nfs/dbraw/zinc/84/22/58/967842258.db2.gz WNLUEEMYHVREBQ-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205831127 967842259 /nfs/dbraw/zinc/84/22/59/967842259.db2.gz WNLUEEMYHVREBQ-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP [NH3+]CCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001117953506 967856597 /nfs/dbraw/zinc/85/65/97/967856597.db2.gz JJIONPXLGLEPPK-UHFFFAOYSA-N 2 1 246.713 2.013 20 10 BECDMP C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCC[C@@H]1C[NH3+] ZINC001206023129 967983986 /nfs/dbraw/zinc/98/39/86/967983986.db2.gz DGUZKCWESRXKPY-GXTWGEPZSA-N 2 1 247.386 2.076 20 10 BECDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2O)C1 ZINC001206541418 968368104 /nfs/dbraw/zinc/36/81/04/968368104.db2.gz HGXLPMSNUWYOLY-OAHLLOKOSA-N 2 1 248.370 2.343 20 10 BECDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1O ZINC000401796327 970726713 /nfs/dbraw/zinc/72/67/13/970726713.db2.gz FLKVGIQCKQBWNF-LLVKDONJSA-N 2 1 245.326 2.019 20 10 BECDMP CC[N@@H+](Cc1ccccc1O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246858910 973167478 /nfs/dbraw/zinc/16/74/78/973167478.db2.gz CYDPZSDPNVKDKK-TZMCWYRMSA-N 2 1 248.370 2.355 20 10 BECDMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001330117857 974113168 /nfs/dbraw/zinc/11/31/68/974113168.db2.gz AFQDSVCRWJSASV-SDDRHHMPSA-N 2 1 248.370 2.446 20 10 BECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@H]1CC[NH3+] ZINC001337837744 978519561 /nfs/dbraw/zinc/51/95/61/978519561.db2.gz DKWUXTCYLVXANG-WFASDCNBSA-N 2 1 247.386 2.218 20 10 BECDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC001579691264 986184111 /nfs/dbraw/zinc/18/41/11/986184111.db2.gz UAVFFTIKTIFOCN-OLZOCXBDSA-N 2 1 248.370 2.117 20 10 BECDMP CC[N@@H+](Cc1ccccc1O)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246858904 988595929 /nfs/dbraw/zinc/59/59/29/988595929.db2.gz CYDPZSDPNVKDKK-GXTWGEPZSA-N 2 1 248.370 2.355 20 10 BECDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)CC1 ZINC001120370809 989640279 /nfs/dbraw/zinc/64/02/79/989640279.db2.gz FUYZSSRDYCBDOR-HNNXBMFYSA-N 2 1 247.386 2.185 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530176602 323205365 /nfs/dbraw/zinc/20/53/65/323205365.db2.gz CMUYWRLWBVLMQV-CQSZACIVSA-N 2 1 246.354 2.075 20 10 BECDMP Cc1cc(O)c(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1C ZINC000841033189 584032066 /nfs/dbraw/zinc/03/20/66/584032066.db2.gz OUQKZTPTPRPOHS-CQSZACIVSA-N 2 1 248.370 2.241 20 10 BECDMP Nc1ccc([NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000841040098 584116260 /nfs/dbraw/zinc/11/62/60/584116260.db2.gz IHAJBGDNZYOXGI-UHFFFAOYSA-N 2 1 219.332 2.198 20 10 BECDMP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC000902470389 584616199 /nfs/dbraw/zinc/61/61/99/584616199.db2.gz WFUHNYVHZXCHPE-SCUASFONSA-N 2 1 246.354 2.326 20 10 BECDMP C[C@H]([NH2+]CC[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000817934653 586843360 /nfs/dbraw/zinc/84/33/60/586843360.db2.gz MGYLZWCOCFRQEN-ZDUSSCGKSA-N 2 1 247.386 2.286 20 10 BECDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000817951240 586847884 /nfs/dbraw/zinc/84/78/84/586847884.db2.gz CGJGDPNVROGIQW-NEPJUHHUSA-N 2 1 234.343 2.103 20 10 BECDMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000817952856 586848595 /nfs/dbraw/zinc/84/85/95/586848595.db2.gz VNXDVQMYBBDVJJ-DGCLKSJQSA-N 2 1 234.343 2.185 20 10 BECDMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C)cc1O ZINC000817952848 586849304 /nfs/dbraw/zinc/84/93/04/586849304.db2.gz VHEKDXRTSCUKBJ-OCCSQVGLSA-N 2 1 248.370 2.493 20 10 BECDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817960181 586851381 /nfs/dbraw/zinc/85/13/81/586851381.db2.gz YACWCRCXHKCWKZ-CHWSQXEVSA-N 2 1 248.370 2.343 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(O)c1 ZINC000817960657 586851609 /nfs/dbraw/zinc/85/16/09/586851609.db2.gz OZEVPCRAAHGJID-GXFFZTMASA-N 2 1 234.343 2.089 20 10 BECDMP CCC[NH2+]CC[NH2+][C@H](CC)c1ccccc1O ZINC000817963967 586853737 /nfs/dbraw/zinc/85/37/37/586853737.db2.gz ZISGQCGUKKISFZ-CYBMUJFWSA-N 2 1 236.359 2.433 20 10 BECDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000817970987 586858091 /nfs/dbraw/zinc/85/80/91/586858091.db2.gz IWTRAHJWUNQALD-RYUDHWBXSA-N 2 1 235.375 2.141 20 10 BECDMP Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(O)c1 ZINC000817970298 586858233 /nfs/dbraw/zinc/85/82/33/586858233.db2.gz QWJNTTKAVPNQJC-WDEREUQCSA-N 2 1 222.332 2.007 20 10 BECDMP CN(C)c1ccc(C[N@@H+](CCC[NH3+])C2CC2)cc1 ZINC000841004953 587935058 /nfs/dbraw/zinc/93/50/58/587935058.db2.gz UOJGKMWYCGCSBI-UHFFFAOYSA-N 2 1 247.386 2.066 20 10 BECDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000841029449 587936324 /nfs/dbraw/zinc/93/63/24/587936324.db2.gz HGBDBFAJNTUBSO-HNNXBMFYSA-N 2 1 249.402 2.134 20 10 BECDMP Cc1cccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c1O ZINC000841038468 587937727 /nfs/dbraw/zinc/93/77/27/587937727.db2.gz JZGOYFKMUAPOAM-CYBMUJFWSA-N 2 1 236.359 2.164 20 10 BECDMP C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000841076604 587943589 /nfs/dbraw/zinc/94/35/89/587943589.db2.gz JXNPWTDXUHDEGY-AGFGORMFSA-N 2 1 247.386 2.091 20 10 BECDMP CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000841078055 587944808 /nfs/dbraw/zinc/94/48/08/587944808.db2.gz FBQJWXAHSXVXPJ-OLZOCXBDSA-N 2 1 249.402 2.358 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000841101131 587946441 /nfs/dbraw/zinc/94/64/41/587946441.db2.gz OQAOVNPINRPFAA-SMDDNHRTSA-N 2 1 248.370 2.117 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000841101128 587946645 /nfs/dbraw/zinc/94/66/45/587946645.db2.gz OQAOVNPINRPFAA-BXUZGUMPSA-N 2 1 248.370 2.117 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000841101129 587946821 /nfs/dbraw/zinc/94/68/21/587946821.db2.gz OQAOVNPINRPFAA-FZMZJTMJSA-N 2 1 248.370 2.117 20 10 BECDMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000843055044 588077575 /nfs/dbraw/zinc/07/75/75/588077575.db2.gz DVROUVZZGWWLTR-CQSZACIVSA-N 2 1 248.370 2.193 20 10 BECDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000843055044 588077577 /nfs/dbraw/zinc/07/75/77/588077577.db2.gz DVROUVZZGWWLTR-CQSZACIVSA-N 2 1 248.370 2.193 20 10 BECDMP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000843055043 588077702 /nfs/dbraw/zinc/07/77/02/588077702.db2.gz DVROUVZZGWWLTR-AWEZNQCLSA-N 2 1 248.370 2.193 20 10 BECDMP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000843055043 588077704 /nfs/dbraw/zinc/07/77/04/588077704.db2.gz DVROUVZZGWWLTR-AWEZNQCLSA-N 2 1 248.370 2.193 20 10 BECDMP Cc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000843124108 588083639 /nfs/dbraw/zinc/08/36/39/588083639.db2.gz VEENIZDTEODNHS-AWEZNQCLSA-N 2 1 248.370 2.404 20 10 BECDMP Cc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1O ZINC000843125589 588084560 /nfs/dbraw/zinc/08/45/60/588084560.db2.gz XWKFWSYPYZWARO-UHFFFAOYSA-N 2 1 234.343 2.014 20 10 BECDMP Cc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1O ZINC000843125589 588084562 /nfs/dbraw/zinc/08/45/62/588084562.db2.gz XWKFWSYPYZWARO-UHFFFAOYSA-N 2 1 234.343 2.014 20 10 BECDMP Oc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000843127676 588084987 /nfs/dbraw/zinc/08/49/87/588084987.db2.gz FSAIUBUOOBWNQC-CQSZACIVSA-N 2 1 246.354 2.157 20 10 BECDMP Oc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000843127675 588085245 /nfs/dbraw/zinc/08/52/45/588085245.db2.gz FSAIUBUOOBWNQC-AWEZNQCLSA-N 2 1 246.354 2.157 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1O ZINC000846701591 588283873 /nfs/dbraw/zinc/28/38/73/588283873.db2.gz CVEUDIUXULRQCF-YPMHNXCESA-N 2 1 234.343 2.012 20 10 BECDMP C[N@H+](CC[C@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000863558724 589299034 /nfs/dbraw/zinc/29/90/34/589299034.db2.gz USMILBICGFRGOG-GFCCVEGCSA-N 2 1 233.359 2.095 20 10 BECDMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000863558724 589299036 /nfs/dbraw/zinc/29/90/36/589299036.db2.gz USMILBICGFRGOG-GFCCVEGCSA-N 2 1 233.359 2.095 20 10 BECDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000084946388 631455335 /nfs/dbraw/zinc/45/53/35/631455335.db2.gz WRCSVYMFXRWOAI-TZMCWYRMSA-N 2 1 247.386 2.064 20 10 BECDMP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000087472377 631481041 /nfs/dbraw/zinc/48/10/41/631481041.db2.gz NSNYVHSWTGDCTM-UHFFFAOYSA-N 2 1 242.750 2.087 20 10 BECDMP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000087472377 631481047 /nfs/dbraw/zinc/48/10/47/631481047.db2.gz NSNYVHSWTGDCTM-UHFFFAOYSA-N 2 1 242.750 2.087 20 10 BECDMP CN(C)c1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093873155 631572262 /nfs/dbraw/zinc/57/22/62/631572262.db2.gz SENYBCMJWHTRMK-UHFFFAOYSA-N 2 1 249.402 2.169 20 10 BECDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000044534646 640401628 /nfs/dbraw/zinc/40/16/28/640401628.db2.gz GBFBEJFNKLDXOT-STQMWFEESA-N 2 1 248.370 2.385 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000226933333 640803280 /nfs/dbraw/zinc/80/32/80/640803280.db2.gz BIAHQWNJYKKWRI-GXTWGEPZSA-N 2 1 248.370 2.402 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070169328 642986121 /nfs/dbraw/zinc/98/61/21/642986121.db2.gz XVYCVGJMJNXXDB-CYBMUJFWSA-N 2 1 248.370 2.261 20 10 BECDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000071409448 643141790 /nfs/dbraw/zinc/14/17/90/643141790.db2.gz YGJPBLOVFJGUEZ-ZDUSSCGKSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1cccc(C[N@H+](C)CCC[NH+](C)C)c1O ZINC000160240563 711806089 /nfs/dbraw/zinc/80/60/89/711806089.db2.gz PCWRTJJOJLGQQJ-UHFFFAOYSA-N 2 1 236.359 2.084 20 10 BECDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2O)[C@@H]1CC[NH3+] ZINC000404434786 971161011 /nfs/dbraw/zinc/16/10/11/971161011.db2.gz QRCJAHREEWVPJT-TZMCWYRMSA-N 2 1 248.370 2.342 20 10 BECDMP Cc1ccc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205069043 965425605 /nfs/dbraw/zinc/42/56/05/965425605.db2.gz SJHMFGSGMTWWHX-STQMWFEESA-N 2 1 248.370 2.321 20 10 BECDMP Cc1ccc(C)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205069043 965425619 /nfs/dbraw/zinc/42/56/19/965425619.db2.gz SJHMFGSGMTWWHX-STQMWFEESA-N 2 1 248.370 2.321 20 10 BECDMP CC(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204685024 967132521 /nfs/dbraw/zinc/13/25/21/967132521.db2.gz SGNXFXRETLUXSH-UHFFFAOYSA-N 2 1 248.370 2.311 20 10 BECDMP CC(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1 ZINC001204685024 967132533 /nfs/dbraw/zinc/13/25/33/967132533.db2.gz SGNXFXRETLUXSH-UHFFFAOYSA-N 2 1 248.370 2.311 20 10 BECDMP Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205076838 967324655 /nfs/dbraw/zinc/32/46/55/967324655.db2.gz XEADFQLARNAMMN-AAEUAGOBSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205076838 967324665 /nfs/dbraw/zinc/32/46/65/967324665.db2.gz XEADFQLARNAMMN-AAEUAGOBSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205109270 967353210 /nfs/dbraw/zinc/35/32/10/967353210.db2.gz DACWBNAECLYXKG-ZDUSSCGKSA-N 2 1 234.343 2.014 20 10 BECDMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205116569 967365840 /nfs/dbraw/zinc/36/58/40/967365840.db2.gz CVZNSDOWGFGAEM-CYBMUJFWSA-N 2 1 248.370 2.322 20 10 BECDMP CC[N@@H+](Cc1ccccc1O)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246858907 973168536 /nfs/dbraw/zinc/16/85/36/973168536.db2.gz CYDPZSDPNVKDKK-OCCSQVGLSA-N 2 1 248.370 2.355 20 10 BECDMP Cn1ccc2c1cc[nH+]c2-c1cncc(C[NH3+])c1 ZINC001239787446 980921954 /nfs/dbraw/zinc/92/19/54/980921954.db2.gz ZHODXYBWYABKSP-UHFFFAOYSA-N 2 1 238.294 2.094 20 10 BECDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC001348852840 981459238 /nfs/dbraw/zinc/45/92/38/981459238.db2.gz QCAPTHDKOBVPQG-GARJFASQSA-N 2 1 234.343 2.186 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205831648 982677128 /nfs/dbraw/zinc/67/71/28/982677128.db2.gz YFWXFXZVJOEKDF-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205831648 982677145 /nfs/dbraw/zinc/67/71/45/982677145.db2.gz YFWXFXZVJOEKDF-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c(O)c1 ZINC000037267035 383968993 /nfs/dbraw/zinc/96/89/93/383968993.db2.gz MOZXYDWHKIDEHJ-LBPRGKRZSA-N 2 1 248.370 2.445 20 10 BECDMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000854232444 588781547 /nfs/dbraw/zinc/78/15/47/588781547.db2.gz PVGQMFBFBNCZRD-PWSUYJOCSA-N 2 1 236.359 2.268 20 10 BECDMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226684 588896276 /nfs/dbraw/zinc/89/62/76/588896276.db2.gz WHTHKVBDQVOSBJ-ZFWWWQNUSA-N 2 1 246.354 2.014 20 10 BECDMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1O ZINC000902478027 584603251 /nfs/dbraw/zinc/60/32/51/584603251.db2.gz WFUHNYVHZXCHPE-VZZFWQQMSA-N 2 1 246.354 2.326 20 10 BECDMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000904412384 584879506 /nfs/dbraw/zinc/87/95/06/584879506.db2.gz USXQCCOVTQKHHH-OLZOCXBDSA-N 2 1 248.370 2.117 20 10 BECDMP Cc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1O ZINC000841087092 584884003 /nfs/dbraw/zinc/88/40/03/584884003.db2.gz MQCZKQCZZBMASK-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1O ZINC000777824412 585720723 /nfs/dbraw/zinc/72/07/23/585720723.db2.gz FBQVPOFHWAVVHU-OCCSQVGLSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1O ZINC000777824412 585720724 /nfs/dbraw/zinc/72/07/24/585720724.db2.gz FBQVPOFHWAVVHU-OCCSQVGLSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1O ZINC000777824412 585720725 /nfs/dbraw/zinc/72/07/25/585720725.db2.gz FBQVPOFHWAVVHU-OCCSQVGLSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1O ZINC000777824412 585720726 /nfs/dbraw/zinc/72/07/26/585720726.db2.gz FBQVPOFHWAVVHU-OCCSQVGLSA-N 2 1 248.370 2.164 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000817951448 586847563 /nfs/dbraw/zinc/84/75/63/586847563.db2.gz FVMJWSVXOIDAEW-NEPJUHHUSA-N 2 1 234.343 2.103 20 10 BECDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000817951450 586848098 /nfs/dbraw/zinc/84/80/98/586848098.db2.gz FVMJWSVXOIDAEW-RYUDHWBXSA-N 2 1 234.343 2.103 20 10 BECDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817960183 586851514 /nfs/dbraw/zinc/85/15/14/586851514.db2.gz YACWCRCXHKCWKZ-QWHCGFSZSA-N 2 1 248.370 2.343 20 10 BECDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1O ZINC000817960124 586851623 /nfs/dbraw/zinc/85/16/23/586851623.db2.gz XOJFIKRUEDASRI-RYUDHWBXSA-N 2 1 236.359 2.416 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c(O)c1C ZINC000817966771 586855039 /nfs/dbraw/zinc/85/50/39/586855039.db2.gz VGXMRLZTHDXYFS-MWLCHTKSSA-N 2 1 222.332 2.007 20 10 BECDMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000817971269 586857779 /nfs/dbraw/zinc/85/77/79/586857779.db2.gz BNOLPXQEKSURDH-NEPJUHHUSA-N 2 1 236.359 2.349 20 10 BECDMP [NH3+]CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000841006417 587934881 /nfs/dbraw/zinc/93/48/81/587934881.db2.gz KHIWYSWNLSVIJB-UHFFFAOYSA-N 2 1 248.370 2.486 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000841037921 587937689 /nfs/dbraw/zinc/93/76/89/587937689.db2.gz CWJCNYSNBYNMCN-CYBMUJFWSA-N 2 1 236.359 2.164 20 10 BECDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841038603 587938023 /nfs/dbraw/zinc/93/80/23/587938023.db2.gz LRLIDVAGPQRLST-AWEZNQCLSA-N 2 1 248.370 2.085 20 10 BECDMP C[C@@H]1C[C@@H](C[NH2+]c2ccc(N)cc2)CC[NH2+]1 ZINC000841040624 587938659 /nfs/dbraw/zinc/93/86/59/587938659.db2.gz PYPKJZZVMDQKGS-MNOVXSKESA-N 2 1 219.332 2.069 20 10 BECDMP C[C@H]([NH3+])[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841076605 587943908 /nfs/dbraw/zinc/94/39/08/587943908.db2.gz JXNPWTDXUHDEGY-IBPBTGAJSA-N 2 1 247.386 2.091 20 10 BECDMP Cc1cc(O)c(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1C ZINC000841089549 587946014 /nfs/dbraw/zinc/94/60/14/587946014.db2.gz IFBOIEOKIBVPKQ-CQSZACIVSA-N 2 1 248.370 2.241 20 10 BECDMP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000843046412 588075677 /nfs/dbraw/zinc/07/56/77/588075677.db2.gz VCHGGXVCFPVAGI-OCCSQVGLSA-N 2 1 248.370 2.402 20 10 BECDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC000843054031 588077093 /nfs/dbraw/zinc/07/70/93/588077093.db2.gz QAUGNWQLBHQJFK-AGUYFDCRSA-N 2 1 246.354 2.236 20 10 BECDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1O ZINC000843357366 588104033 /nfs/dbraw/zinc/10/40/33/588104033.db2.gz JFNHQHOIODBXDD-UHFFFAOYSA-N 2 1 248.370 2.214 20 10 BECDMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1C ZINC000849350023 588474857 /nfs/dbraw/zinc/47/48/57/588474857.db2.gz NIPIWGBWWSTPIA-UHFFFAOYSA-N 2 1 248.370 2.365 20 10 BECDMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000863546800 589297821 /nfs/dbraw/zinc/29/78/21/589297821.db2.gz MMIMAGVAJOTWFN-WCFLWFBJSA-N 2 1 234.343 2.183 20 10 BECDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000863546798 589297977 /nfs/dbraw/zinc/29/79/77/589297977.db2.gz MMIMAGVAJOTWFN-CYZMBNFOSA-N 2 1 234.343 2.183 20 10 BECDMP C[N@H+](CCCC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863558698 589298927 /nfs/dbraw/zinc/29/89/27/589298927.db2.gz TWTDLFZWEAQBNI-UHFFFAOYSA-N 2 1 247.386 2.485 20 10 BECDMP C[N@@H+](CCCC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863558698 589298929 /nfs/dbraw/zinc/29/89/29/589298929.db2.gz TWTDLFZWEAQBNI-UHFFFAOYSA-N 2 1 247.386 2.485 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230422 590002206 /nfs/dbraw/zinc/00/22/06/590002206.db2.gz RFGHINZSBXEKTI-GJZGRUSLSA-N 2 1 246.354 2.075 20 10 BECDMP Cc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230653 590003026 /nfs/dbraw/zinc/00/30/26/590003026.db2.gz VNTQVJMAZRXZFD-DZGCQCFKSA-N 2 1 246.354 2.075 20 10 BECDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1O ZINC000133376955 591788862 /nfs/dbraw/zinc/78/88/62/591788862.db2.gz VTGAPIPCLCSEKV-ZDUSSCGKSA-N 2 1 236.359 2.197 20 10 BECDMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000063191710 641142190 /nfs/dbraw/zinc/14/21/90/641142190.db2.gz ARWPZRCLDMNYMJ-AAEUAGOBSA-N 2 1 234.343 2.094 20 10 BECDMP Cc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1N(C)C ZINC000923331406 644352314 /nfs/dbraw/zinc/35/23/14/644352314.db2.gz GPOYJMCNSWOJOX-UHFFFAOYSA-N 2 1 247.386 2.032 20 10 BECDMP C[N@@H+](Cc1ccccc1O)C1CCC([NH3+])CC1 ZINC000091844069 644641645 /nfs/dbraw/zinc/64/16/45/644641645.db2.gz PCMIOLMFMBRDEV-UHFFFAOYSA-N 2 1 234.343 2.094 20 10 BECDMP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984387 644994911 /nfs/dbraw/zinc/99/49/11/644994911.db2.gz RVHRXKWUEINOOZ-VXGBXAGGSA-N 2 1 234.343 2.185 20 10 BECDMP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccccc2O)C1 ZINC000709011926 712206274 /nfs/dbraw/zinc/20/62/74/712206274.db2.gz URLMCSLJENMPEG-ZDUSSCGKSA-N 2 1 234.343 2.096 20 10 BECDMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC001327840231 972753385 /nfs/dbraw/zinc/75/33/85/972753385.db2.gz MZFZULOGMYHOTE-UWVGGRQHSA-N 2 1 240.322 2.037 20 10 BECDMP C[C@H]1CCC[N@@H+](Cc2ccccc2O)[C@@H]1CC[NH3+] ZINC000404434783 971163600 /nfs/dbraw/zinc/16/36/00/971163600.db2.gz QRCJAHREEWVPJT-GXTWGEPZSA-N 2 1 248.370 2.342 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205273115 967468712 /nfs/dbraw/zinc/46/87/12/967468712.db2.gz FKZXVBHRJNOECP-OAHLLOKOSA-N 2 1 248.370 2.404 20 10 BECDMP C[C@@H]1C[N@@H+](Cc2ccccc2O)CCC[C@H]1C[NH3+] ZINC001205982102 967922259 /nfs/dbraw/zinc/92/22/59/967922259.db2.gz KNQZHZXVPZCGRW-OLZOCXBDSA-N 2 1 248.370 2.199 20 10 BECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC001169093263 969382681 /nfs/dbraw/zinc/38/26/81/969382681.db2.gz GQBVFKQVWGUUIJ-BTTYYORXSA-N 2 1 246.354 2.107 20 10 BECDMP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1O ZINC001254507741 969677922 /nfs/dbraw/zinc/67/79/22/969677922.db2.gz COWIEDNJDHOQLS-AWEZNQCLSA-N 2 1 248.370 2.275 20 10 BECDMP CCc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1O ZINC000691460059 969958869 /nfs/dbraw/zinc/95/88/69/969958869.db2.gz PKMPCADPESSIRW-UHFFFAOYSA-N 2 1 248.370 2.138 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1O ZINC001205281027 979882014 /nfs/dbraw/zinc/88/20/14/979882014.db2.gz OHORYONRLUIRRA-HNNXBMFYSA-N 2 1 248.370 2.404 20 10 BECDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC001579691266 986193720 /nfs/dbraw/zinc/19/37/20/986193720.db2.gz UAVFFTIKTIFOCN-STQMWFEESA-N 2 1 248.370 2.117 20 10 BECDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001206563885 986382994 /nfs/dbraw/zinc/38/29/94/986382994.db2.gz JQUUMSHNCSIULD-OAHLLOKOSA-N 2 1 247.386 2.220 20 10 BECDMP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000035629058 383864702 /nfs/dbraw/zinc/86/47/02/383864702.db2.gz UZSAUHOJGXXZKX-LBPRGKRZSA-N 2 1 248.370 2.445 20 10 BECDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2O)CC[N@@H+]1C ZINC000179579698 385476118 /nfs/dbraw/zinc/47/61/18/385476118.db2.gz HFPNXVCRNNKZCV-TZMCWYRMSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2O)CC[N@H+]1C ZINC000179579698 385476125 /nfs/dbraw/zinc/47/61/25/385476125.db2.gz HFPNXVCRNNKZCV-TZMCWYRMSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2O)CC[NH+]1C ZINC000179579698 385476131 /nfs/dbraw/zinc/47/61/31/385476131.db2.gz HFPNXVCRNNKZCV-TZMCWYRMSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)CC[NH+]1C ZINC000179579698 385476137 /nfs/dbraw/zinc/47/61/37/385476137.db2.gz HFPNXVCRNNKZCV-TZMCWYRMSA-N 2 1 248.370 2.307 20 10 BECDMP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179567365 167095930 /nfs/dbraw/zinc/09/59/30/167095930.db2.gz ZRGIMBVDKZTKMX-UHFFFAOYSA-N 2 1 248.370 2.355 20 10 BECDMP C[N@H+](Cc1ccccc1O)C[C@H]1CCC[NH+](C)C1 ZINC000179559517 173041691 /nfs/dbraw/zinc/04/16/91/173041691.db2.gz ARUUMLHQYHGOPO-ZDUSSCGKSA-N 2 1 248.370 2.166 20 10 BECDMP C[NH+](Cc1ccccc1O)C[C@H]1CCC[N@H+](C)C1 ZINC000179559517 173041692 /nfs/dbraw/zinc/04/16/92/173041692.db2.gz ARUUMLHQYHGOPO-ZDUSSCGKSA-N 2 1 248.370 2.166 20 10 BECDMP C[NH+](Cc1ccccc1O)C[C@H]1CCC[N@@H+](C)C1 ZINC000179559517 173041694 /nfs/dbraw/zinc/04/16/94/173041694.db2.gz ARUUMLHQYHGOPO-ZDUSSCGKSA-N 2 1 248.370 2.166 20 10 BECDMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000854226572 588780708 /nfs/dbraw/zinc/78/07/08/588780708.db2.gz IHKQAHVKCKGLQN-QRJNDHJOSA-N 2 1 246.354 2.185 20 10 BECDMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000854232443 588781476 /nfs/dbraw/zinc/78/14/76/588781476.db2.gz PVGQMFBFBNCZRD-JQWIXIFHSA-N 2 1 236.359 2.268 20 10 BECDMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1O ZINC000902451963 584607587 /nfs/dbraw/zinc/60/75/87/584607587.db2.gz ZIBKEBMLOFIIEN-GXTWGEPZSA-N 2 1 248.370 2.431 20 10 BECDMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1O ZINC000904412383 584879987 /nfs/dbraw/zinc/87/99/87/584879987.db2.gz USXQCCOVTQKHHH-CHWSQXEVSA-N 2 1 248.370 2.117 20 10 BECDMP CN(C)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000734843292 584968935 /nfs/dbraw/zinc/96/89/35/584968935.db2.gz ITFZMXJWQSQKQS-UHFFFAOYSA-N 2 1 249.402 2.136 20 10 BECDMP CN(C)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000734843292 584968936 /nfs/dbraw/zinc/96/89/36/584968936.db2.gz ITFZMXJWQSQKQS-UHFFFAOYSA-N 2 1 249.402 2.136 20 10 BECDMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(C)cc1O ZINC000817965902 584993372 /nfs/dbraw/zinc/99/33/72/584993372.db2.gz FCGAOZLJSFONCJ-PWSUYJOCSA-N 2 1 222.332 2.089 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1C ZINC000843047816 585331200 /nfs/dbraw/zinc/33/12/00/585331200.db2.gz WZGKVOBFLTYNEG-ZDUSSCGKSA-N 2 1 248.370 2.180 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(O)c1 ZINC000817960659 586851311 /nfs/dbraw/zinc/85/13/11/586851311.db2.gz OZEVPCRAAHGJID-MFKMUULPSA-N 2 1 234.343 2.089 20 10 BECDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000817960837 586851728 /nfs/dbraw/zinc/85/17/28/586851728.db2.gz SBWXFRDFIJBYEP-ZWNOBZJWSA-N 2 1 234.343 2.089 20 10 BECDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1O ZINC000817960123 586851904 /nfs/dbraw/zinc/85/19/04/586851904.db2.gz XOJFIKRUEDASRI-NWDGAFQWSA-N 2 1 236.359 2.416 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(O)c1C ZINC000817961306 586852966 /nfs/dbraw/zinc/85/29/66/586852966.db2.gz WWXHVOJFGMUKBC-FZMZJTMJSA-N 2 1 248.370 2.397 20 10 BECDMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC000841008159 587934809 /nfs/dbraw/zinc/93/48/09/587934809.db2.gz WGDBJMFJXUNSJJ-OLZOCXBDSA-N 2 1 248.370 2.212 20 10 BECDMP CCN(CC)c1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000841030991 587935926 /nfs/dbraw/zinc/93/59/26/587935926.db2.gz NBVHFGWGMAOZGI-UHFFFAOYSA-N 2 1 249.402 2.360 20 10 BECDMP C[C@H]1C[C@H](C[NH2+]c2ccc(N)cc2)CC[NH2+]1 ZINC000841040626 587938525 /nfs/dbraw/zinc/93/85/25/587938525.db2.gz PYPKJZZVMDQKGS-WDEREUQCSA-N 2 1 219.332 2.069 20 10 BECDMP C[C@@H]1C[C@H](C[NH2+]c2ccc(N)cc2)CC[NH2+]1 ZINC000841040623 587938782 /nfs/dbraw/zinc/93/87/82/587938782.db2.gz PYPKJZZVMDQKGS-GHMZBOCLSA-N 2 1 219.332 2.069 20 10 BECDMP Cc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1C ZINC000841086851 587945783 /nfs/dbraw/zinc/94/57/83/587945783.db2.gz PIAGRKAKBMWNDH-AWEZNQCLSA-N 2 1 248.370 2.239 20 10 BECDMP CN(C)c1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000841087690 587945788 /nfs/dbraw/zinc/94/57/88/587945788.db2.gz QLYRNSFNBWNULT-CQSZACIVSA-N 2 1 249.402 2.216 20 10 BECDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000841104823 587946448 /nfs/dbraw/zinc/94/64/48/587946448.db2.gz UDQVVQBFAIRMRO-UHFFFAOYSA-N 2 1 249.402 2.102 20 10 BECDMP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843051784 588076563 /nfs/dbraw/zinc/07/65/63/588076563.db2.gz LRRRSMGVROUKEF-CHWSQXEVSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000843053174 588076949 /nfs/dbraw/zinc/07/69/49/588076949.db2.gz YXSAKJFSSDIDAC-JSGCOSHPSA-N 2 1 248.370 2.178 20 10 BECDMP Nc1ccc([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000843125746 588084155 /nfs/dbraw/zinc/08/41/55/588084155.db2.gz HBXSRNTUQAPPCN-COPLHBTASA-N 2 1 231.343 2.069 20 10 BECDMP CCC[N@@H+](CCC[NH2+]C)Cc1ccccc1O ZINC000843358402 588103614 /nfs/dbraw/zinc/10/36/14/588103614.db2.gz MYZYWLNGQODGMX-UHFFFAOYSA-N 2 1 236.359 2.214 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000846699092 588283310 /nfs/dbraw/zinc/28/33/10/588283310.db2.gz OUMVZNPTOMIUBE-GXTWGEPZSA-N 2 1 248.370 2.321 20 10 BECDMP Cc1cc(N(C)C)ccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000849350824 588474976 /nfs/dbraw/zinc/47/49/76/588474976.db2.gz XOQRMBWLUBYYLL-UHFFFAOYSA-N 2 1 249.402 2.230 20 10 BECDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000849350824 588474977 /nfs/dbraw/zinc/47/49/77/588474977.db2.gz XOQRMBWLUBYYLL-UHFFFAOYSA-N 2 1 249.402 2.230 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000863543519 589297317 /nfs/dbraw/zinc/29/73/17/589297317.db2.gz PSENRTGSBBFOSQ-YNEHKIRRSA-N 2 1 246.354 2.110 20 10 BECDMP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000863547218 589298540 /nfs/dbraw/zinc/29/85/40/589298540.db2.gz PPPAIUSUZMIQGN-YNEHKIRRSA-N 2 1 248.370 2.410 20 10 BECDMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000863558725 589299096 /nfs/dbraw/zinc/29/90/96/589299096.db2.gz USMILBICGFRGOG-LBPRGKRZSA-N 2 1 233.359 2.095 20 10 BECDMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000863558725 589299097 /nfs/dbraw/zinc/29/90/97/589299097.db2.gz USMILBICGFRGOG-LBPRGKRZSA-N 2 1 233.359 2.095 20 10 BECDMP CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CC[C@@H]1[NH3+] ZINC000122345271 589582355 /nfs/dbraw/zinc/58/23/55/589582355.db2.gz ITFXYYSWWCKBDM-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230421 590001768 /nfs/dbraw/zinc/00/17/68/590001768.db2.gz RFGHINZSBXEKTI-CABCVRRESA-N 2 1 246.354 2.075 20 10 BECDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000877027755 590271565 /nfs/dbraw/zinc/27/15/65/590271565.db2.gz RSIHPUUSGCSDED-CYBMUJFWSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1 ZINC000877070919 590277657 /nfs/dbraw/zinc/27/76/57/590277657.db2.gz YUMXOBSNQCCHHA-GXTWGEPZSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000877070919 590277658 /nfs/dbraw/zinc/27/76/58/590277658.db2.gz YUMXOBSNQCCHHA-GXTWGEPZSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(O)c1C[N@H+](C)CCC[NH+](C)C ZINC000877522236 590346780 /nfs/dbraw/zinc/34/67/80/590346780.db2.gz MCSFSIOJFAJOHO-UHFFFAOYSA-N 2 1 236.359 2.084 20 10 BECDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000063191711 641143290 /nfs/dbraw/zinc/14/32/90/641143290.db2.gz ARWPZRCLDMNYMJ-YPMHNXCESA-N 2 1 234.343 2.094 20 10 BECDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000071408612 643143580 /nfs/dbraw/zinc/14/35/80/643143580.db2.gz YIJOMLOWDUSWBK-ZDUSSCGKSA-N 2 1 248.370 2.132 20 10 BECDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000084946392 643676961 /nfs/dbraw/zinc/67/69/61/643676961.db2.gz WRCSVYMFXRWOAI-OCCSQVGLSA-N 2 1 247.386 2.064 20 10 BECDMP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000817984665 644994357 /nfs/dbraw/zinc/99/43/57/644994357.db2.gz XDMQPFYHTKTWQT-STQMWFEESA-N 2 1 248.370 2.493 20 10 BECDMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205109269 967352872 /nfs/dbraw/zinc/35/28/72/967352872.db2.gz DACWBNAECLYXKG-CYBMUJFWSA-N 2 1 234.343 2.014 20 10 BECDMP Cc1ccc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC001205140480 967389081 /nfs/dbraw/zinc/38/90/81/967389081.db2.gz IVCZRMRKZRKJES-QWHCGFSZSA-N 2 1 248.370 2.036 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205287814 967479790 /nfs/dbraw/zinc/47/97/90/967479790.db2.gz CSFJCPXMTDHBTA-HNNXBMFYSA-N 2 1 248.370 2.404 20 10 BECDMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC001327840230 972755546 /nfs/dbraw/zinc/75/55/46/972755546.db2.gz MZFZULOGMYHOTE-NXEZZACHSA-N 2 1 240.322 2.037 20 10 BECDMP CC[N@@H+](Cc1ccccc1O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246858905 973172638 /nfs/dbraw/zinc/17/26/38/973172638.db2.gz CYDPZSDPNVKDKK-JSGCOSHPSA-N 2 1 248.370 2.355 20 10 BECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@H]1CC[NH3+] ZINC001337837741 978520531 /nfs/dbraw/zinc/52/05/31/978520531.db2.gz DKWUXTCYLVXANG-DOMZBBRYSA-N 2 1 247.386 2.218 20 10 BECDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236251675 979471642 /nfs/dbraw/zinc/47/16/42/979471642.db2.gz XINZJJZMQZBJKM-CQSZACIVSA-N 2 1 248.370 2.439 20 10 BECDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236251675 979471648 /nfs/dbraw/zinc/47/16/48/979471648.db2.gz XINZJJZMQZBJKM-CQSZACIVSA-N 2 1 248.370 2.439 20 10 BECDMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345106367 980550073 /nfs/dbraw/zinc/55/00/73/980550073.db2.gz YIAOOQPGMWSHHB-CHWSQXEVSA-N 2 1 247.386 2.112 20 10 BECDMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(O)c1 ZINC001579696884 986184818 /nfs/dbraw/zinc/18/48/18/986184818.db2.gz KXCFZBLEMHJCDB-CQSZACIVSA-N 2 1 246.354 2.075 20 10 BECDMP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000530219807 388631781 /nfs/dbraw/zinc/63/17/81/388631781.db2.gz MZUIHFKIRQTVQY-FZMZJTMJSA-N 2 1 246.354 2.327 20 10 BECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C)c2O)C1 ZINC000124713689 170008064 /nfs/dbraw/zinc/00/80/64/170008064.db2.gz UODDTHWRBGANIM-ZDUSSCGKSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1ccc(O)c([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000854226608 588780648 /nfs/dbraw/zinc/78/06/48/588780648.db2.gz IRNQEXMTZCRVHZ-XIKARTHZSA-N 2 1 246.354 2.103 20 10 BECDMP CCN(C)c1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902416294 584590452 /nfs/dbraw/zinc/59/04/52/584590452.db2.gz MNZICTSKDJXAQV-GFCCVEGCSA-N 2 1 247.386 2.285 20 10 BECDMP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC000902470288 584616367 /nfs/dbraw/zinc/61/63/67/584616367.db2.gz WFUHNYVHZXCHPE-IGHBBLSQSA-N 2 1 246.354 2.326 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412575 584879547 /nfs/dbraw/zinc/87/95/47/584879547.db2.gz WOWAZOPIOJAXSY-STQMWFEESA-N 2 1 248.370 2.117 20 10 BECDMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904412386 584879799 /nfs/dbraw/zinc/87/97/99/584879799.db2.gz USXQCCOVTQKHHH-STQMWFEESA-N 2 1 248.370 2.117 20 10 BECDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1O ZINC000777824413 585720667 /nfs/dbraw/zinc/72/06/67/585720667.db2.gz FBQVPOFHWAVVHU-TZMCWYRMSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1O ZINC000777824413 585720668 /nfs/dbraw/zinc/72/06/68/585720668.db2.gz FBQVPOFHWAVVHU-TZMCWYRMSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1O ZINC000777824413 585720669 /nfs/dbraw/zinc/72/06/69/585720669.db2.gz FBQVPOFHWAVVHU-TZMCWYRMSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1O ZINC000777824413 585720670 /nfs/dbraw/zinc/72/06/70/585720670.db2.gz FBQVPOFHWAVVHU-TZMCWYRMSA-N 2 1 248.370 2.164 20 10 BECDMP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(F)cc1O ZINC000817941740 586845317 /nfs/dbraw/zinc/84/53/17/586845317.db2.gz WAYDBYBAWBVKMI-GFCCVEGCSA-N 2 1 240.322 2.182 20 10 BECDMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000817943140 586846607 /nfs/dbraw/zinc/84/66/07/586846607.db2.gz JCWHPJXPYQNHIV-JTQLQIEISA-N 2 1 240.322 2.182 20 10 BECDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817957337 586850343 /nfs/dbraw/zinc/85/03/43/586850343.db2.gz BAVKARBSSNHTGQ-IUODEOHRSA-N 2 1 249.402 2.387 20 10 BECDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1O ZINC000817961462 586851663 /nfs/dbraw/zinc/85/16/63/586851663.db2.gz ZFJYYOWKHXFKMP-QWHCGFSZSA-N 2 1 234.343 2.170 20 10 BECDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1O ZINC000817960125 586851912 /nfs/dbraw/zinc/85/19/12/586851912.db2.gz XOJFIKRUEDASRI-VXGBXAGGSA-N 2 1 236.359 2.416 20 10 BECDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C)cc1O ZINC000817959730 586851935 /nfs/dbraw/zinc/85/19/35/586851935.db2.gz HRHADEZKKOVLGS-UONOGXRCSA-N 2 1 248.370 2.479 20 10 BECDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817961214 586852804 /nfs/dbraw/zinc/85/28/04/586852804.db2.gz VJZWNQZEVJKHQJ-XHDPSFHLSA-N 2 1 247.386 2.141 20 10 BECDMP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817963025 586853008 /nfs/dbraw/zinc/85/30/08/586853008.db2.gz QHGPLHSMGRJHRC-SKDRFNHKSA-N 2 1 240.322 2.167 20 10 BECDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1O ZINC000817961460 586853195 /nfs/dbraw/zinc/85/31/95/586853195.db2.gz ZFJYYOWKHXFKMP-CHWSQXEVSA-N 2 1 234.343 2.170 20 10 BECDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000817966542 586854794 /nfs/dbraw/zinc/85/47/94/586854794.db2.gz PVDSDIKIKZAJEH-NEPJUHHUSA-N 2 1 235.375 2.141 20 10 BECDMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C)cc1O ZINC000817969620 586856058 /nfs/dbraw/zinc/85/60/58/586856058.db2.gz FCGAOZLJSFONCJ-JQWIXIFHSA-N 2 1 222.332 2.089 20 10 BECDMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2O)CC[NH2+]1 ZINC000841008160 587934924 /nfs/dbraw/zinc/93/49/24/587934924.db2.gz WGDBJMFJXUNSJJ-QWHCGFSZSA-N 2 1 248.370 2.212 20 10 BECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(C)ccc1O ZINC000841029013 587935916 /nfs/dbraw/zinc/93/59/16/587935916.db2.gz LEYTUQWPKVSEOV-CYBMUJFWSA-N 2 1 236.359 2.308 20 10 BECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(C)c1O ZINC000841029801 587936285 /nfs/dbraw/zinc/93/62/85/587936285.db2.gz SILBHAYGWVNDHG-ZDUSSCGKSA-N 2 1 236.359 2.308 20 10 BECDMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1C ZINC000841029294 587936309 /nfs/dbraw/zinc/93/63/09/587936309.db2.gz MHBVVNSRVXPVLY-CYBMUJFWSA-N 2 1 236.359 2.077 20 10 BECDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000841070290 587943001 /nfs/dbraw/zinc/94/30/01/587943001.db2.gz NXVCJHPSIFILHG-CQSZACIVSA-N 2 1 249.402 2.360 20 10 BECDMP C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000841076606 587944261 /nfs/dbraw/zinc/94/42/61/587944261.db2.gz JXNPWTDXUHDEGY-JQSFKPKSSA-N 2 1 247.386 2.091 20 10 BECDMP CN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000841087689 587945464 /nfs/dbraw/zinc/94/54/64/587945464.db2.gz QLYRNSFNBWNULT-AWEZNQCLSA-N 2 1 249.402 2.216 20 10 BECDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841087129 587945674 /nfs/dbraw/zinc/94/56/74/587945674.db2.gz JGRXPXYEACFMKA-AWEZNQCLSA-N 2 1 248.370 2.085 20 10 BECDMP CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CC[C@@H]1[NH3+] ZINC000843052096 588076690 /nfs/dbraw/zinc/07/66/90/588076690.db2.gz MNKOHTVDOHMZPQ-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP [NH3+]CCCCCC[NH2+]Cc1cccc(F)c1O ZINC000843127315 588085311 /nfs/dbraw/zinc/08/53/11/588085311.db2.gz NXTYUQDNKSGKGW-UHFFFAOYSA-N 2 1 240.322 2.140 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000863481987 589292764 /nfs/dbraw/zinc/29/27/64/589292764.db2.gz OSPFSXSQFDCSCL-UONOGXRCSA-N 2 1 248.370 2.239 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230424 590002185 /nfs/dbraw/zinc/00/21/85/590002185.db2.gz RFGHINZSBXEKTI-LSDHHAIUSA-N 2 1 246.354 2.075 20 10 BECDMP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000124846292 590094965 /nfs/dbraw/zinc/09/49/65/590094965.db2.gz OTBOHBLBBRMDBC-OCCSQVGLSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(O)c1 ZINC000876595385 590219723 /nfs/dbraw/zinc/21/97/23/590219723.db2.gz FYZWGPDNODXZDW-UHFFFAOYSA-N 2 1 248.370 2.227 20 10 BECDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1O ZINC000133376748 591788610 /nfs/dbraw/zinc/78/86/10/591788610.db2.gz VTGAPIPCLCSEKV-CYBMUJFWSA-N 2 1 236.359 2.197 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000227376603 635449807 /nfs/dbraw/zinc/44/98/07/635449807.db2.gz CJBUMQKXUXZCJQ-GXTWGEPZSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000227376603 635449810 /nfs/dbraw/zinc/44/98/10/635449810.db2.gz CJBUMQKXUXZCJQ-GXTWGEPZSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000311134739 634224155 /nfs/dbraw/zinc/22/41/55/634224155.db2.gz KDBPUQUPCRHQSO-IUODEOHRSA-N 2 1 248.370 2.117 20 10 BECDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000044534650 640402314 /nfs/dbraw/zinc/40/23/14/640402314.db2.gz GBFBEJFNKLDXOT-QWHCGFSZSA-N 2 1 248.370 2.385 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000227191394 640817524 /nfs/dbraw/zinc/81/75/24/640817524.db2.gz QGVBZLYWLAAQBM-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000227191394 640817527 /nfs/dbraw/zinc/81/75/27/640817527.db2.gz QGVBZLYWLAAQBM-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227191389 640817977 /nfs/dbraw/zinc/81/79/77/640817977.db2.gz QGVBZLYWLAAQBM-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227191389 640817978 /nfs/dbraw/zinc/81/79/78/640817978.db2.gz QGVBZLYWLAAQBM-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000227376611 640831220 /nfs/dbraw/zinc/83/12/20/640831220.db2.gz CJBUMQKXUXZCJQ-JSGCOSHPSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000227376611 640831221 /nfs/dbraw/zinc/83/12/21/640831221.db2.gz CJBUMQKXUXZCJQ-JSGCOSHPSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000070175264 642987191 /nfs/dbraw/zinc/98/71/91/642987191.db2.gz QGVBZLYWLAAQBM-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000070175264 642987197 /nfs/dbraw/zinc/98/71/97/642987197.db2.gz QGVBZLYWLAAQBM-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1N(C)C ZINC000923386274 644399458 /nfs/dbraw/zinc/39/94/58/644399458.db2.gz MBNGIULXFWYDAM-UHFFFAOYSA-N 2 1 249.402 2.230 20 10 BECDMP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1N(C)C ZINC000923386274 644399459 /nfs/dbraw/zinc/39/94/59/644399459.db2.gz MBNGIULXFWYDAM-UHFFFAOYSA-N 2 1 249.402 2.230 20 10 BECDMP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1O ZINC000925784333 646481585 /nfs/dbraw/zinc/48/15/85/646481585.db2.gz MIBXABZHSQEBRC-RAIGVLPGSA-N 2 1 234.343 2.041 20 10 BECDMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCO2)[NH+](C)C ZINC000700521775 711996484 /nfs/dbraw/zinc/99/64/84/711996484.db2.gz BJPYNICNHVHFNJ-LBPRGKRZSA-N 2 1 248.370 2.051 20 10 BECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275266908 1169044314 /nfs/dbraw/zinc/04/43/14/1169044314.db2.gz FHGPKUBQBQGPQX-AGUYFDCRSA-N 2 1 246.354 2.107 20 10 BECDMP Oc1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237461 972416422 /nfs/dbraw/zinc/41/64/22/972416422.db2.gz KMAVTOBGKIIQQJ-OAHLLOKOSA-N 2 1 246.354 2.110 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205110673 965837376 /nfs/dbraw/zinc/83/73/76/965837376.db2.gz XXLNIADVNQRQAR-ZDUSSCGKSA-N 2 1 234.343 2.014 20 10 BECDMP CC(C)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204802032 967177874 /nfs/dbraw/zinc/17/78/74/967177874.db2.gz ZOGUHMIPMFHYRS-HNNXBMFYSA-N 2 1 248.370 2.439 20 10 BECDMP CC(C)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204802032 967177888 /nfs/dbraw/zinc/17/78/88/967177888.db2.gz ZOGUHMIPMFHYRS-HNNXBMFYSA-N 2 1 248.370 2.439 20 10 BECDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001205063921 967312752 /nfs/dbraw/zinc/31/27/52/967312752.db2.gz FMRRLUIRNOJAII-WFASDCNBSA-N 2 1 247.386 2.064 20 10 BECDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001205063921 967312760 /nfs/dbraw/zinc/31/27/60/967312760.db2.gz FMRRLUIRNOJAII-WFASDCNBSA-N 2 1 247.386 2.064 20 10 BECDMP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(O)c1 ZINC001205272953 967468041 /nfs/dbraw/zinc/46/80/41/967468041.db2.gz BBJFBZFNCUZFRR-OAHLLOKOSA-N 2 1 248.370 2.404 20 10 BECDMP CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075279 968045442 /nfs/dbraw/zinc/04/54/42/968045442.db2.gz CUFLADHLCVPUEE-BXUZGUMPSA-N 2 1 248.370 2.295 20 10 BECDMP CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075279 968045452 /nfs/dbraw/zinc/04/54/52/968045452.db2.gz CUFLADHLCVPUEE-BXUZGUMPSA-N 2 1 248.370 2.295 20 10 BECDMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C)CC2)c(O)c1 ZINC001256198850 970693211 /nfs/dbraw/zinc/69/32/11/970693211.db2.gz XMLMVJYOKQOARF-UHFFFAOYSA-N 2 1 248.370 2.193 20 10 BECDMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC001327840233 972756276 /nfs/dbraw/zinc/75/62/76/972756276.db2.gz MZFZULOGMYHOTE-VHSXEESVSA-N 2 1 240.322 2.037 20 10 BECDMP CC[N@@H+](CCCC[NH3+])Cc1ccc(N(C)C)cc1 ZINC001236274993 979481774 /nfs/dbraw/zinc/48/17/74/979481774.db2.gz IUOSYDLLEXIDHO-UHFFFAOYSA-N 2 1 249.402 2.313 20 10 BECDMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345106370 980550196 /nfs/dbraw/zinc/55/01/96/980550196.db2.gz YIAOOQPGMWSHHB-STQMWFEESA-N 2 1 247.386 2.112 20 10 BECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001352790129 982580349 /nfs/dbraw/zinc/58/03/49/982580349.db2.gz OWXMDEKGYIBHAQ-MBNYWOFBSA-N 2 1 247.386 2.074 20 10 BECDMP CN(C)c1ccc(/C=C/C[NH2+]C(C)(C)C[NH3+])cc1 ZINC001578425471 985055670 /nfs/dbraw/zinc/05/56/70/985055670.db2.gz FEOPUQBKJIZHQA-AATRIKPKSA-N 2 1 247.386 2.093 20 10 BECDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1O ZINC000119947788 384319007 /nfs/dbraw/zinc/31/90/07/384319007.db2.gz MGWAJCPKNXDTTN-UHFFFAOYSA-N 2 1 248.370 2.310 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000179637284 385480392 /nfs/dbraw/zinc/48/03/92/385480392.db2.gz MJYKZOGGHFCPGE-CYBMUJFWSA-N 2 1 248.370 2.084 20 10 BECDMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1O ZINC000902451966 584607216 /nfs/dbraw/zinc/60/72/16/584607216.db2.gz ZIBKEBMLOFIIEN-TZMCWYRMSA-N 2 1 248.370 2.431 20 10 BECDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904351030 584869395 /nfs/dbraw/zinc/86/93/95/584869395.db2.gz SRJPZRWOYDZXIX-AWEZNQCLSA-N 2 1 248.370 2.085 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1C ZINC000843047815 585331326 /nfs/dbraw/zinc/33/13/26/585331326.db2.gz WZGKVOBFLTYNEG-CYBMUJFWSA-N 2 1 248.370 2.180 20 10 BECDMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C)cc1O ZINC000817952846 586849281 /nfs/dbraw/zinc/84/92/81/586849281.db2.gz VHEKDXRTSCUKBJ-GXTWGEPZSA-N 2 1 248.370 2.493 20 10 BECDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817957340 586850726 /nfs/dbraw/zinc/85/07/26/586850726.db2.gz BAVKARBSSNHTGQ-WFASDCNBSA-N 2 1 249.402 2.387 20 10 BECDMP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817963024 586852892 /nfs/dbraw/zinc/85/28/92/586852892.db2.gz QHGPLHSMGRJHRC-JOYOIKCWSA-N 2 1 240.322 2.167 20 10 BECDMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817964537 586853976 /nfs/dbraw/zinc/85/39/76/586853976.db2.gz CBWSSDNAZJUPMQ-ABAIWWIYSA-N 2 1 247.386 2.141 20 10 BECDMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817963888 586854306 /nfs/dbraw/zinc/85/43/06/586854306.db2.gz XNMQCONJVLSRLQ-STQMWFEESA-N 2 1 248.370 2.487 20 10 BECDMP Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C[NH3+])c(O)c1 ZINC000817966595 586855384 /nfs/dbraw/zinc/85/53/84/586855384.db2.gz QWJNTTKAVPNQJC-MNOVXSKESA-N 2 1 222.332 2.007 20 10 BECDMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000817970562 586857288 /nfs/dbraw/zinc/85/72/88/586857288.db2.gz ZZEMRYNDGZXZNT-FZMZJTMJSA-N 2 1 235.375 2.141 20 10 BECDMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841030227 587936295 /nfs/dbraw/zinc/93/62/95/587936295.db2.gz VBPCQRGWKNJZBK-CQSZACIVSA-N 2 1 249.402 2.360 20 10 BECDMP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841078205 587945194 /nfs/dbraw/zinc/94/51/94/587945194.db2.gz CMHOVPNQCKQNHI-JTQLQIEISA-N 2 1 240.322 2.138 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000841086323 587945522 /nfs/dbraw/zinc/94/55/22/587945522.db2.gz IKHMGIKLURMESZ-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP CCC[N@@H+](Cc1ccccc1O)C1CC[NH2+]CC1 ZINC000843044092 588075961 /nfs/dbraw/zinc/07/59/61/588075961.db2.gz CSGTWGLMMTZYAS-UHFFFAOYSA-N 2 1 248.370 2.356 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1O ZINC000843112314 588082439 /nfs/dbraw/zinc/08/24/39/588082439.db2.gz GQUISTFKRFQHBO-ZDUSSCGKSA-N 2 1 248.370 2.261 20 10 BECDMP C[N@H+](CCC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863558477 589299154 /nfs/dbraw/zinc/29/91/54/589299154.db2.gz KHKLAVQGJQRBNM-UHFFFAOYSA-N 2 1 233.359 2.095 20 10 BECDMP C[N@@H+](CCC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863558477 589299155 /nfs/dbraw/zinc/29/91/55/589299155.db2.gz KHKLAVQGJQRBNM-UHFFFAOYSA-N 2 1 233.359 2.095 20 10 BECDMP Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876730041 590233987 /nfs/dbraw/zinc/23/39/87/590233987.db2.gz AWNPXGJQWDBSCJ-ZDUSSCGKSA-N 2 1 248.370 2.084 20 10 BECDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000044534648 640400687 /nfs/dbraw/zinc/40/06/87/640400687.db2.gz GBFBEJFNKLDXOT-OLZOCXBDSA-N 2 1 248.370 2.385 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000228337848 640871815 /nfs/dbraw/zinc/87/18/15/640871815.db2.gz SINQFGQPJJHTAK-YPMHNXCESA-N 2 1 234.343 2.012 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000228337859 640872004 /nfs/dbraw/zinc/87/20/04/640872004.db2.gz SINQFGQPJJHTAK-DGCLKSJQSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171924 642421849 /nfs/dbraw/zinc/42/18/49/642421849.db2.gz JVKUPDYPRWRGTA-CHWSQXEVSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070169329 642987300 /nfs/dbraw/zinc/98/73/00/642987300.db2.gz XVYCVGJMJNXXDB-ZDUSSCGKSA-N 2 1 248.370 2.261 20 10 BECDMP CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CC[C@H]1[NH3+] ZINC000251697587 644817352 /nfs/dbraw/zinc/81/73/52/644817352.db2.gz ITFXYYSWWCKBDM-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984385 644995054 /nfs/dbraw/zinc/99/50/54/644995054.db2.gz RVHRXKWUEINOOZ-NWDGAFQWSA-N 2 1 234.343 2.185 20 10 BECDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC001345160839 957162244 /nfs/dbraw/zinc/16/22/44/957162244.db2.gz ZYEXCKMJQVDIBC-IUODEOHRSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N)cc2)CC[N@H+]1C ZINC001345160839 957162259 /nfs/dbraw/zinc/16/22/59/957162259.db2.gz ZYEXCKMJQVDIBC-IUODEOHRSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N)cc2)CC[NH+]1C ZINC001345160839 957162269 /nfs/dbraw/zinc/16/22/69/957162269.db2.gz ZYEXCKMJQVDIBC-IUODEOHRSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N)cc2)CC[NH+]1C ZINC001345160839 957162276 /nfs/dbraw/zinc/16/22/76/957162276.db2.gz ZYEXCKMJQVDIBC-IUODEOHRSA-N 2 1 247.386 2.183 20 10 BECDMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000224886152 965196958 /nfs/dbraw/zinc/19/69/58/965196958.db2.gz OTBOHBLBBRMDBC-GXTWGEPZSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000224886152 965196968 /nfs/dbraw/zinc/19/69/68/965196968.db2.gz OTBOHBLBBRMDBC-GXTWGEPZSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205831129 967843395 /nfs/dbraw/zinc/84/33/95/967843395.db2.gz WNLUEEMYHVREBQ-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205831129 967843399 /nfs/dbraw/zinc/84/33/99/967843399.db2.gz WNLUEEMYHVREBQ-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205831129 967843400 /nfs/dbraw/zinc/84/34/00/967843400.db2.gz WNLUEEMYHVREBQ-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205872361 967867717 /nfs/dbraw/zinc/86/77/17/967867717.db2.gz LMLMGFNUSGAJKD-RISCZKNCSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205872361 967867719 /nfs/dbraw/zinc/86/77/19/967867719.db2.gz LMLMGFNUSGAJKD-RISCZKNCSA-N 2 1 248.370 2.178 20 10 BECDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1O ZINC000401796329 970725005 /nfs/dbraw/zinc/72/50/05/970725005.db2.gz FLKVGIQCKQBWNF-NSHDSACASA-N 2 1 245.326 2.019 20 10 BECDMP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001330117861 974114789 /nfs/dbraw/zinc/11/47/89/974114789.db2.gz AFQDSVCRWJSASV-WOPDTQHZSA-N 2 1 248.370 2.446 20 10 BECDMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(N)cc2)CC1 ZINC001236216270 979451978 /nfs/dbraw/zinc/45/19/78/979451978.db2.gz WMLJJNWVBLUSGP-UHFFFAOYSA-N 2 1 247.386 2.231 20 10 BECDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001205257123 979756194 /nfs/dbraw/zinc/75/61/94/979756194.db2.gz SISAPPSWIDQAPZ-CQSZACIVSA-N 2 1 234.343 2.096 20 10 BECDMP CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)C[NH3+])cc1 ZINC001578425473 985056211 /nfs/dbraw/zinc/05/62/11/985056211.db2.gz FEOPUQBKJIZHQA-WAYWQWQTSA-N 2 1 247.386 2.093 20 10 BECDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC001579691265 986191085 /nfs/dbraw/zinc/19/10/85/986191085.db2.gz UAVFFTIKTIFOCN-QWHCGFSZSA-N 2 1 248.370 2.117 20 10 BECDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC001325756133 989251730 /nfs/dbraw/zinc/25/17/30/989251730.db2.gz QCAPTHDKOBVPQG-MXWKQRLJSA-N 2 1 234.343 2.186 20 10 BECDMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC001261424426 992292800 /nfs/dbraw/zinc/29/28/00/992292800.db2.gz UOBYBYZAODRYRV-UWVGGRQHSA-N 2 1 240.322 2.180 20 10 BECDMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC001261424428 992295111 /nfs/dbraw/zinc/29/51/11/992295111.db2.gz UOBYBYZAODRYRV-ZJUUUORDSA-N 2 1 240.322 2.180 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000180230047 179081662 /nfs/dbraw/zinc/08/16/62/179081662.db2.gz MRBFRIRAQCBUQP-CYBMUJFWSA-N 2 1 248.370 2.084 20 10 BECDMP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000035629057 383864907 /nfs/dbraw/zinc/86/49/07/383864907.db2.gz UZSAUHOJGXXZKX-GFCCVEGCSA-N 2 1 248.370 2.445 20 10 BECDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1O ZINC000272890985 389036124 /nfs/dbraw/zinc/03/61/24/389036124.db2.gz SPSOFBDSDUPVSD-LBPRGKRZSA-N 2 1 246.354 2.305 20 10 BECDMP C[N@H+](Cc1ccc(N)cc1)CC1CC[NH+](C)CC1 ZINC000063119683 1172798994 /nfs/dbraw/zinc/79/89/94/1172798994.db2.gz HIZHGPSZLYPHLJ-UHFFFAOYSA-N 2 1 247.386 2.042 20 10 BECDMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000854233137 588781243 /nfs/dbraw/zinc/78/12/43/588781243.db2.gz YCKQDCJQKOQWDE-RYUDHWBXSA-N 2 1 236.359 2.268 20 10 BECDMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000854233240 588781571 /nfs/dbraw/zinc/78/15/71/588781571.db2.gz YCKQDCJQKOQWDE-VXGBXAGGSA-N 2 1 236.359 2.268 20 10 BECDMP Cc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226682 588895889 /nfs/dbraw/zinc/89/58/89/588895889.db2.gz WHTHKVBDQVOSBJ-HIFRSBDPSA-N 2 1 246.354 2.014 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857226428 588896056 /nfs/dbraw/zinc/89/60/56/588896056.db2.gz NUJFXYGVQPRETI-DZGCQCFKSA-N 2 1 246.354 2.014 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857226429 588896162 /nfs/dbraw/zinc/89/61/62/588896162.db2.gz NUJFXYGVQPRETI-HIFRSBDPSA-N 2 1 246.354 2.014 20 10 BECDMP CCN(C)c1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902416295 584590169 /nfs/dbraw/zinc/59/01/69/584590169.db2.gz MNZICTSKDJXAQV-LBPRGKRZSA-N 2 1 247.386 2.285 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412574 584879761 /nfs/dbraw/zinc/87/97/61/584879761.db2.gz WOWAZOPIOJAXSY-QWHCGFSZSA-N 2 1 248.370 2.117 20 10 BECDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2O)C1 ZINC000839183847 585096889 /nfs/dbraw/zinc/09/68/89/585096889.db2.gz ZWPAFSLXWKOCLB-ZDUSSCGKSA-N 2 1 248.370 2.214 20 10 BECDMP CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1O ZINC000817951350 586847696 /nfs/dbraw/zinc/84/76/96/586847696.db2.gz DHALVKIETJFKDI-CABZTGNLSA-N 2 1 240.322 2.309 20 10 BECDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(O)c1 ZINC000817952204 586848284 /nfs/dbraw/zinc/84/82/84/586848284.db2.gz OOQXZHNEZTUBGC-CHWSQXEVSA-N 2 1 248.370 2.412 20 10 BECDMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C)cc1O ZINC000817952849 586849399 /nfs/dbraw/zinc/84/93/99/586849399.db2.gz VHEKDXRTSCUKBJ-TZMCWYRMSA-N 2 1 248.370 2.493 20 10 BECDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817957336 586850788 /nfs/dbraw/zinc/85/07/88/586850788.db2.gz BAVKARBSSNHTGQ-DOMZBBRYSA-N 2 1 249.402 2.387 20 10 BECDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C)cc1O ZINC000817959731 586851127 /nfs/dbraw/zinc/85/11/27/586851127.db2.gz HRHADEZKKOVLGS-ZIAGYGMSSA-N 2 1 248.370 2.479 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(O)c1 ZINC000817960656 586851193 /nfs/dbraw/zinc/85/11/93/586851193.db2.gz OZEVPCRAAHGJID-GWCFXTLKSA-N 2 1 234.343 2.089 20 10 BECDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1O ZINC000817961463 586851307 /nfs/dbraw/zinc/85/13/07/586851307.db2.gz ZFJYYOWKHXFKMP-STQMWFEESA-N 2 1 234.343 2.170 20 10 BECDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817961210 586852252 /nfs/dbraw/zinc/85/22/52/586852252.db2.gz VJZWNQZEVJKHQJ-IAQYHMDHSA-N 2 1 247.386 2.141 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(O)c1C ZINC000817961307 586853252 /nfs/dbraw/zinc/85/32/52/586853252.db2.gz WWXHVOJFGMUKBC-RISCZKNCSA-N 2 1 248.370 2.397 20 10 BECDMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817964542 586854224 /nfs/dbraw/zinc/85/42/24/586854224.db2.gz CBWSSDNAZJUPMQ-XHDPSFHLSA-N 2 1 247.386 2.141 20 10 BECDMP CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000817966543 586854943 /nfs/dbraw/zinc/85/49/43/586854943.db2.gz PVDSDIKIKZAJEH-VXGBXAGGSA-N 2 1 235.375 2.141 20 10 BECDMP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000817971270 586857576 /nfs/dbraw/zinc/85/75/76/586857576.db2.gz BNOLPXQEKSURDH-VXGBXAGGSA-N 2 1 236.359 2.349 20 10 BECDMP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccccc1O ZINC000817972061 586859777 /nfs/dbraw/zinc/85/97/77/586859777.db2.gz JMRJTUOYVLHEIS-DGCLKSJQSA-N 2 1 236.359 2.431 20 10 BECDMP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccccc1O ZINC000817972064 586859802 /nfs/dbraw/zinc/85/98/02/586859802.db2.gz JMRJTUOYVLHEIS-YPMHNXCESA-N 2 1 236.359 2.431 20 10 BECDMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000841039289 587938520 /nfs/dbraw/zinc/93/85/20/587938520.db2.gz IWPIPEDTPLFWAB-CQSZACIVSA-N 2 1 248.370 2.389 20 10 BECDMP CC[C@@H]([NH3+])C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841071378 587942685 /nfs/dbraw/zinc/94/26/85/587942685.db2.gz FDMYLCLQAOSLBD-VBROQKIQSA-N 2 1 247.386 2.093 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000841087413 587945460 /nfs/dbraw/zinc/94/54/60/587945460.db2.gz NOGQOYHVNPWUED-ZDUSSCGKSA-N 2 1 236.359 2.164 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000841086326 587945610 /nfs/dbraw/zinc/94/56/10/587945610.db2.gz IKHMGIKLURMESZ-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP Cc1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1O ZINC000841086709 587945892 /nfs/dbraw/zinc/94/58/92/587945892.db2.gz DUCQUHWERHCQAX-GFCCVEGCSA-N 2 1 236.359 2.164 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000841101130 587946485 /nfs/dbraw/zinc/94/64/85/587946485.db2.gz OQAOVNPINRPFAA-RISCZKNCSA-N 2 1 248.370 2.117 20 10 BECDMP Oc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043810 588075953 /nfs/dbraw/zinc/07/59/53/588075953.db2.gz IITJRTWZKVTQFW-UHFFFAOYSA-N 2 1 246.354 2.109 20 10 BECDMP CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)CC[C@H]1[NH3+] ZINC000843052092 588076889 /nfs/dbraw/zinc/07/68/89/588076889.db2.gz MNKOHTVDOHMZPQ-GXTWGEPZSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000843052400 588077009 /nfs/dbraw/zinc/07/70/09/588077009.db2.gz SOEKPJDVWZKLTO-RISCZKNCSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000843052400 588077012 /nfs/dbraw/zinc/07/70/12/588077012.db2.gz SOEKPJDVWZKLTO-RISCZKNCSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000843058696 588077823 /nfs/dbraw/zinc/07/78/23/588077823.db2.gz WGWOQKJOEINRTD-QWHCGFSZSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000843057005 588078170 /nfs/dbraw/zinc/07/81/70/588078170.db2.gz FBSHCKVLDBYTHQ-STQMWFEESA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000843124110 588083757 /nfs/dbraw/zinc/08/37/57/588083757.db2.gz VEENIZDTEODNHS-CQSZACIVSA-N 2 1 248.370 2.404 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000863542814 589297263 /nfs/dbraw/zinc/29/72/63/589297263.db2.gz GHALNMSAFPLMMD-KWCYVHTRSA-N 2 1 248.370 2.492 20 10 BECDMP CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CC[C@@H]1[NH3+] ZINC000122345046 589582351 /nfs/dbraw/zinc/58/23/51/589582351.db2.gz ITFXYYSWWCKBDM-OCCSQVGLSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000877026512 590270850 /nfs/dbraw/zinc/27/08/50/590270850.db2.gz BNZFDDBWIDDWKV-ZDUSSCGKSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000877027757 590271331 /nfs/dbraw/zinc/27/13/31/590271331.db2.gz RSIHPUUSGCSDED-ZDUSSCGKSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877070785 590277542 /nfs/dbraw/zinc/27/75/42/590277542.db2.gz VYCZCQIMVSKMCC-STQMWFEESA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877070785 590277543 /nfs/dbraw/zinc/27/75/43/590277543.db2.gz VYCZCQIMVSKMCC-STQMWFEESA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(O)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000877137861 590291242 /nfs/dbraw/zinc/29/12/42/590291242.db2.gz DPPWDDFFGHEBIS-UHFFFAOYSA-N 2 1 246.354 2.052 20 10 BECDMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(O)c1 ZINC000877138820 590291866 /nfs/dbraw/zinc/29/18/66/590291866.db2.gz SAAGIJATXNGCLH-UHFFFAOYSA-N 2 1 246.354 2.052 20 10 BECDMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000854232445 634052364 /nfs/dbraw/zinc/05/23/64/634052364.db2.gz PVGQMFBFBNCZRD-ZYHUDNBSSA-N 2 1 236.359 2.268 20 10 BECDMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(C)cc1O ZINC000925782590 635278571 /nfs/dbraw/zinc/27/85/71/635278571.db2.gz GRKBYUGGFAGAMY-KWCYVHTRSA-N 2 1 248.370 2.349 20 10 BECDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1O ZINC000044534652 640397006 /nfs/dbraw/zinc/39/70/06/640397006.db2.gz GBFBEJFNKLDXOT-CHWSQXEVSA-N 2 1 248.370 2.385 20 10 BECDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000817984662 644993872 /nfs/dbraw/zinc/99/38/72/644993872.db2.gz XDMQPFYHTKTWQT-CHWSQXEVSA-N 2 1 248.370 2.493 20 10 BECDMP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984384 644994409 /nfs/dbraw/zinc/99/44/09/644994409.db2.gz RVHRXKWUEINOOZ-NEPJUHHUSA-N 2 1 234.343 2.185 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(O)c1 ZINC000817983391 644995703 /nfs/dbraw/zinc/99/57/03/644995703.db2.gz BPKGYUAYEBCMFE-STQMWFEESA-N 2 1 248.370 2.493 20 10 BECDMP CC[N@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)[NH3+] ZINC000843060175 645257526 /nfs/dbraw/zinc/25/75/26/645257526.db2.gz WRPUWFICIOFZQV-UHFFFAOYSA-N 2 1 249.402 2.312 20 10 BECDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)[NH3+] ZINC000843060175 645257535 /nfs/dbraw/zinc/25/75/35/645257535.db2.gz WRPUWFICIOFZQV-UHFFFAOYSA-N 2 1 249.402 2.312 20 10 BECDMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1O ZINC000925738243 646460105 /nfs/dbraw/zinc/46/01/05/646460105.db2.gz OTTMLMSTBNFXLB-VIFPVBQESA-N 2 1 240.322 2.309 20 10 BECDMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1O ZINC000710713877 712254720 /nfs/dbraw/zinc/25/47/20/712254720.db2.gz LYYCSEBMWRDYOL-UHFFFAOYSA-N 2 1 236.359 2.343 20 10 BECDMP CN(C)c1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000385258038 711008108 /nfs/dbraw/zinc/00/81/08/711008108.db2.gz XCKGUXIABCFXOZ-UHFFFAOYSA-N 2 1 247.386 2.066 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001205088734 967341457 /nfs/dbraw/zinc/34/14/57/967341457.db2.gz SAQYIQUIZSKMKW-RYUDHWBXSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1cccc(O)c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088734 967341463 /nfs/dbraw/zinc/34/14/63/967341463.db2.gz SAQYIQUIZSKMKW-RYUDHWBXSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088734 967341473 /nfs/dbraw/zinc/34/14/73/967341473.db2.gz SAQYIQUIZSKMKW-RYUDHWBXSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205116570 967366226 /nfs/dbraw/zinc/36/62/26/967366226.db2.gz CVZNSDOWGFGAEM-ZDUSSCGKSA-N 2 1 248.370 2.322 20 10 BECDMP CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197386 967422732 /nfs/dbraw/zinc/42/27/32/967422732.db2.gz MYNYHZLGGJNFID-BXUZGUMPSA-N 2 1 248.370 2.437 20 10 BECDMP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197386 967422742 /nfs/dbraw/zinc/42/27/42/967422742.db2.gz MYNYHZLGGJNFID-BXUZGUMPSA-N 2 1 248.370 2.437 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205287815 967482934 /nfs/dbraw/zinc/48/29/34/967482934.db2.gz CSFJCPXMTDHBTA-OAHLLOKOSA-N 2 1 248.370 2.404 20 10 BECDMP Cc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205829639 967842776 /nfs/dbraw/zinc/84/27/76/967842776.db2.gz PIBWAHPFZQWPTO-BXUZGUMPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1O ZINC001205829639 967842786 /nfs/dbraw/zinc/84/27/86/967842786.db2.gz PIBWAHPFZQWPTO-BXUZGUMPSA-N 2 1 248.370 2.260 20 10 BECDMP C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCC[C@@H]1C[NH3+] ZINC001206023137 969865349 /nfs/dbraw/zinc/86/53/49/969865349.db2.gz DGUZKCWESRXKPY-TZMCWYRMSA-N 2 1 247.386 2.076 20 10 BECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@@H]1CC[NH3+] ZINC001337837742 978520971 /nfs/dbraw/zinc/52/09/71/978520971.db2.gz DKWUXTCYLVXANG-IUODEOHRSA-N 2 1 247.386 2.218 20 10 BECDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001205257122 979751606 /nfs/dbraw/zinc/75/16/06/979751606.db2.gz SISAPPSWIDQAPZ-AWEZNQCLSA-N 2 1 234.343 2.096 20 10 BECDMP CCC[N@H+](Cc1ccc(N)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236842657 979755251 /nfs/dbraw/zinc/75/52/51/979755251.db2.gz GWCKOWCQEPNDPY-CQSZACIVSA-N 2 1 247.386 2.090 20 10 BECDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)C[NH3+] ZINC001325756129 989253045 /nfs/dbraw/zinc/25/30/45/989253045.db2.gz QCAPTHDKOBVPQG-GMTAPVOTSA-N 2 1 234.343 2.186 20 10 BECDMP CC[NH+]1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000124656472 353169661 /nfs/dbraw/zinc/16/96/61/353169661.db2.gz BSJIEVRYAOUOER-UHFFFAOYSA-N 2 1 248.370 2.275 20 10 BECDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1O ZINC000227436323 188183611 /nfs/dbraw/zinc/18/36/11/188183611.db2.gz UKRFARIBPKMKIX-UHFFFAOYSA-N 2 1 236.359 2.212 20 10 BECDMP Cc1ccc(O)c([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000854226607 588780428 /nfs/dbraw/zinc/78/04/28/588780428.db2.gz IRNQEXMTZCRVHZ-BZUNDVKYSA-N 2 1 246.354 2.103 20 10 BECDMP CC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1O ZINC000902451965 584607466 /nfs/dbraw/zinc/60/74/66/584607466.db2.gz ZIBKEBMLOFIIEN-OCCSQVGLSA-N 2 1 248.370 2.431 20 10 BECDMP Nc1ccc([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903915854 584826820 /nfs/dbraw/zinc/82/68/20/584826820.db2.gz CNDWGFDGNWXTGE-FTNCPSPGSA-N 2 1 231.343 2.211 20 10 BECDMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000817952207 586847863 /nfs/dbraw/zinc/84/78/63/586847863.db2.gz OOQXZHNEZTUBGC-OLZOCXBDSA-N 2 1 248.370 2.412 20 10 BECDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(O)c1C ZINC000817952787 586848679 /nfs/dbraw/zinc/84/86/79/586848679.db2.gz SDLCHQQASVQIDQ-STQMWFEESA-N 2 1 248.370 2.412 20 10 BECDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817961208 586852230 /nfs/dbraw/zinc/85/22/30/586852230.db2.gz VJZWNQZEVJKHQJ-ABAIWWIYSA-N 2 1 247.386 2.141 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(O)c1C ZINC000817961308 586852705 /nfs/dbraw/zinc/85/27/05/586852705.db2.gz WWXHVOJFGMUKBC-SMDDNHRTSA-N 2 1 248.370 2.397 20 10 BECDMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc2c(cc1O)CCCC2 ZINC000817970304 586857252 /nfs/dbraw/zinc/85/72/52/586857252.db2.gz QYBINSFIGSBWSN-WDEREUQCSA-N 2 1 248.370 2.269 20 10 BECDMP C[N@@H+](CCCC[NH2+]Cc1ccccc1O)C1CC1 ZINC000835061706 587779979 /nfs/dbraw/zinc/77/99/79/587779979.db2.gz JGSDCNDUCZCZIA-UHFFFAOYSA-N 2 1 248.370 2.356 20 10 BECDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000841030226 587935864 /nfs/dbraw/zinc/93/58/64/587935864.db2.gz VBPCQRGWKNJZBK-AWEZNQCLSA-N 2 1 249.402 2.360 20 10 BECDMP C[C@H](CC[NH3+])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841051568 587939919 /nfs/dbraw/zinc/93/99/19/587939919.db2.gz QGDMHWVDCMLNIA-SSDOTTSWSA-N 2 1 246.713 2.012 20 10 BECDMP CC[C@H]([NH3+])C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841071376 587942502 /nfs/dbraw/zinc/94/25/02/587942502.db2.gz FDMYLCLQAOSLBD-GJBLVYBDSA-N 2 1 247.386 2.093 20 10 BECDMP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(F)c1O ZINC000841078207 587944958 /nfs/dbraw/zinc/94/49/58/587944958.db2.gz CMHOVPNQCKQNHI-SNVBAGLBSA-N 2 1 240.322 2.138 20 10 BECDMP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1O ZINC000841091026 587946642 /nfs/dbraw/zinc/94/66/42/587946642.db2.gz UPERTCWKGKSXQE-IUODEOHRSA-N 2 1 248.370 2.117 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000843053179 588076710 /nfs/dbraw/zinc/07/67/10/588076710.db2.gz YXSAKJFSSDIDAC-TZMCWYRMSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000843052399 588077366 /nfs/dbraw/zinc/07/73/66/588077366.db2.gz SOEKPJDVWZKLTO-FZMZJTMJSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000843052399 588077369 /nfs/dbraw/zinc/07/73/69/588077369.db2.gz SOEKPJDVWZKLTO-FZMZJTMJSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000846699095 588283387 /nfs/dbraw/zinc/28/33/87/588283387.db2.gz OUMVZNPTOMIUBE-TZMCWYRMSA-N 2 1 248.370 2.321 20 10 BECDMP C[N@H+](CCCCCC[NH3+])c1ccc(N)cc1 ZINC000863558615 589299159 /nfs/dbraw/zinc/29/91/59/589299159.db2.gz PLEUBCLOTCYQIP-UHFFFAOYSA-N 2 1 221.348 2.224 20 10 BECDMP C[N@@H+](CCCCCC[NH3+])c1ccc(N)cc1 ZINC000863558615 589299160 /nfs/dbraw/zinc/29/91/60/589299160.db2.gz PLEUBCLOTCYQIP-UHFFFAOYSA-N 2 1 221.348 2.224 20 10 BECDMP Cc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000873215512 589998342 /nfs/dbraw/zinc/99/83/42/589998342.db2.gz FKHXYDICJBPQKJ-TZMCWYRMSA-N 2 1 248.370 2.036 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(O)c1C ZINC000925782728 635279716 /nfs/dbraw/zinc/27/97/16/635279716.db2.gz HOQZBMRCROCUPU-MPKXVKKWSA-N 2 1 248.370 2.268 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000070175263 642987598 /nfs/dbraw/zinc/98/75/98/642987598.db2.gz QGVBZLYWLAAQBM-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000070175263 642987603 /nfs/dbraw/zinc/98/76/03/642987603.db2.gz QGVBZLYWLAAQBM-JSGCOSHPSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000071408614 643142268 /nfs/dbraw/zinc/14/22/68/643142268.db2.gz YIJOMLOWDUSWBK-CYBMUJFWSA-N 2 1 248.370 2.132 20 10 BECDMP Oc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667262 644873830 /nfs/dbraw/zinc/87/38/30/644873830.db2.gz HRFGCPQFMNVOTH-KBPBESRZSA-N 2 1 246.354 2.109 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(O)c1 ZINC000817983390 644994463 /nfs/dbraw/zinc/99/44/63/644994463.db2.gz BPKGYUAYEBCMFE-QWHCGFSZSA-N 2 1 248.370 2.493 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205110672 965834452 /nfs/dbraw/zinc/83/44/52/965834452.db2.gz XXLNIADVNQRQAR-CYBMUJFWSA-N 2 1 234.343 2.014 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123648 967369140 /nfs/dbraw/zinc/36/91/40/967369140.db2.gz DKYKKZJONKMLQE-GFCCVEGCSA-N 2 1 234.343 2.014 20 10 BECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)CC[C@@H]1C[NH3+] ZINC001205638863 967737719 /nfs/dbraw/zinc/73/77/19/967737719.db2.gz SPPJNQYPVAAVNG-TZMCWYRMSA-N 2 1 247.386 2.076 20 10 BECDMP Cc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205829641 967841945 /nfs/dbraw/zinc/84/19/45/967841945.db2.gz PIBWAHPFZQWPTO-RISCZKNCSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205829641 967841949 /nfs/dbraw/zinc/84/19/49/967841949.db2.gz PIBWAHPFZQWPTO-RISCZKNCSA-N 2 1 248.370 2.260 20 10 BECDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(N)cc1 ZINC001235717508 979132932 /nfs/dbraw/zinc/13/29/32/979132932.db2.gz HKMUBWMAFDOTRO-UHFFFAOYSA-N 2 1 247.386 2.090 20 10 BECDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC001348852839 981459150 /nfs/dbraw/zinc/45/91/50/981459150.db2.gz QCAPTHDKOBVPQG-DCAQKATOSA-N 2 1 234.343 2.186 20 10 BECDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC001348852841 981461494 /nfs/dbraw/zinc/46/14/94/981461494.db2.gz QCAPTHDKOBVPQG-OUAUKWLOSA-N 2 1 234.343 2.186 20 10 BECDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001206563884 986384837 /nfs/dbraw/zinc/38/48/37/986384837.db2.gz JQUUMSHNCSIULD-HNNXBMFYSA-N 2 1 247.386 2.220 20 10 BECDMP CC[C@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1O ZINC001326474094 989574829 /nfs/dbraw/zinc/57/48/29/989574829.db2.gz RXQSGIKKUBJWIM-LBPRGKRZSA-N 2 1 240.322 2.311 20 10 BECDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1O ZINC000230744743 385754827 /nfs/dbraw/zinc/75/48/27/385754827.db2.gz GFHYLEPGNHMFOV-UHFFFAOYSA-N 2 1 236.359 2.166 20 10 BECDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000277307184 386427971 /nfs/dbraw/zinc/42/79/71/386427971.db2.gz BKNHWBPURXABEK-AWEZNQCLSA-N 2 1 248.370 2.308 20 10 BECDMP Cc1ccc(O)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271765074 389023099 /nfs/dbraw/zinc/02/30/99/389023099.db2.gz AEAOQEKZEPYHSJ-UHFFFAOYSA-N 2 1 246.354 2.052 20 10 BECDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000037644121 170017355 /nfs/dbraw/zinc/01/73/55/170017355.db2.gz MDHKCSBVURRMAA-QWHCGFSZSA-N 2 1 248.370 2.385 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(O)c1 ZINC000854226261 588780482 /nfs/dbraw/zinc/78/04/82/588780482.db2.gz GMRDYPVDROSKKO-XIKARTHZSA-N 2 1 246.354 2.103 20 10 BECDMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226681 588895953 /nfs/dbraw/zinc/89/59/53/588895953.db2.gz WHTHKVBDQVOSBJ-DZGCQCFKSA-N 2 1 246.354 2.014 20 10 BECDMP C[NH+]1CCC(C[N@H+]2Cc3cccc(O)c3C2)CC1 ZINC000895785365 583727363 /nfs/dbraw/zinc/72/73/63/583727363.db2.gz PHLGYXVMBGEGFS-UHFFFAOYSA-N 2 1 246.354 2.050 20 10 BECDMP C[N@@H+](Cc1ccccc1O)C[C@]1(C)CCC[NH2+]C1 ZINC000904311585 584862751 /nfs/dbraw/zinc/86/27/51/584862751.db2.gz FRRZVEPITZOJDR-OAHLLOKOSA-N 2 1 248.370 2.214 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC000904406351 584878608 /nfs/dbraw/zinc/87/86/08/584878608.db2.gz QONPPAPVNFSDKP-ZDUSSCGKSA-N 2 1 248.370 2.180 20 10 BECDMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000817952212 586847665 /nfs/dbraw/zinc/84/76/65/586847665.db2.gz OOQXZHNEZTUBGC-STQMWFEESA-N 2 1 248.370 2.412 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(O)c1C ZINC000817952785 586849148 /nfs/dbraw/zinc/84/91/48/586849148.db2.gz SDLCHQQASVQIDQ-OLZOCXBDSA-N 2 1 248.370 2.412 20 10 BECDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C)cc1O ZINC000817959729 586851352 /nfs/dbraw/zinc/85/13/52/586851352.db2.gz HRHADEZKKOVLGS-KGLIPLIRSA-N 2 1 248.370 2.479 20 10 BECDMP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cc1O ZINC000817963022 586853205 /nfs/dbraw/zinc/85/32/05/586853205.db2.gz QHGPLHSMGRJHRC-CABZTGNLSA-N 2 1 240.322 2.167 20 10 BECDMP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccccc1O ZINC000817963968 586854386 /nfs/dbraw/zinc/85/43/86/586854386.db2.gz ZISGQCGUKKISFZ-ZDUSSCGKSA-N 2 1 236.359 2.433 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])c(O)c1C ZINC000817966770 586854751 /nfs/dbraw/zinc/85/47/51/586854751.db2.gz VGXMRLZTHDXYFS-KOLCDFICSA-N 2 1 222.332 2.007 20 10 BECDMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817970303 586857545 /nfs/dbraw/zinc/85/75/45/586857545.db2.gz QYBINSFIGSBWSN-QWRGUYRKSA-N 2 1 248.370 2.269 20 10 BECDMP Cc1cccc(C[NH2+][C@H](C[NH3+])CC(C)C)c1O ZINC000841038469 587937438 /nfs/dbraw/zinc/93/74/38/587937438.db2.gz JZGOYFKMUAPOAM-ZDUSSCGKSA-N 2 1 236.359 2.164 20 10 BECDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000841070288 587942627 /nfs/dbraw/zinc/94/26/27/587942627.db2.gz NXVCJHPSIFILHG-AWEZNQCLSA-N 2 1 249.402 2.360 20 10 BECDMP Cc1cc(O)c(C[NH2+][C@H]2CCCC[NH2+]C2)cc1C ZINC000841089547 587945922 /nfs/dbraw/zinc/94/59/22/587945922.db2.gz IFBOIEOKIBVPKQ-AWEZNQCLSA-N 2 1 248.370 2.241 20 10 BECDMP Cc1cc(O)c(C[N@H+](C)C2CC[NH2+]CC2)cc1C ZINC000843044215 588076028 /nfs/dbraw/zinc/07/60/28/588076028.db2.gz AKGYCLBOYLNQQN-UHFFFAOYSA-N 2 1 248.370 2.193 20 10 BECDMP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1O ZINC000843046411 588076048 /nfs/dbraw/zinc/07/60/48/588076048.db2.gz VCHGGXVCFPVAGI-JSGCOSHPSA-N 2 1 248.370 2.402 20 10 BECDMP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843051790 588076672 /nfs/dbraw/zinc/07/66/72/588076672.db2.gz LRRRSMGVROUKEF-STQMWFEESA-N 2 1 248.370 2.260 20 10 BECDMP CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CC[C@H]1[NH3+] ZINC000843052098 588077407 /nfs/dbraw/zinc/07/74/07/588077407.db2.gz MNKOHTVDOHMZPQ-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000843058695 588077815 /nfs/dbraw/zinc/07/78/15/588077815.db2.gz WGWOQKJOEINRTD-OLZOCXBDSA-N 2 1 248.370 2.178 20 10 BECDMP Nc1ccc([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000843125748 588084761 /nfs/dbraw/zinc/08/47/61/588084761.db2.gz HBXSRNTUQAPPCN-MISXGVKJSA-N 2 1 231.343 2.069 20 10 BECDMP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1O ZINC000846701588 588283599 /nfs/dbraw/zinc/28/35/99/588283599.db2.gz CVEUDIUXULRQCF-DGCLKSJQSA-N 2 1 234.343 2.012 20 10 BECDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000863543345 589297247 /nfs/dbraw/zinc/29/72/47/589297247.db2.gz MWBXFUKVMVFMDQ-KGYLQXTDSA-N 2 1 234.343 2.183 20 10 BECDMP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877070782 590277496 /nfs/dbraw/zinc/27/74/96/590277496.db2.gz VYCZCQIMVSKMCC-CHWSQXEVSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(O)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877070782 590277497 /nfs/dbraw/zinc/27/74/97/590277497.db2.gz VYCZCQIMVSKMCC-CHWSQXEVSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877070783 590277664 /nfs/dbraw/zinc/27/76/64/590277664.db2.gz VYCZCQIMVSKMCC-OLZOCXBDSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1cccc(O)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877070783 590277665 /nfs/dbraw/zinc/27/76/65/590277665.db2.gz VYCZCQIMVSKMCC-OLZOCXBDSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000877070921 590277718 /nfs/dbraw/zinc/27/77/18/590277718.db2.gz YUMXOBSNQCCHHA-OCCSQVGLSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000877070921 590277720 /nfs/dbraw/zinc/27/77/20/590277720.db2.gz YUMXOBSNQCCHHA-OCCSQVGLSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000131498387 591613574 /nfs/dbraw/zinc/61/35/74/591613574.db2.gz SINQFGQPJJHTAK-AAEUAGOBSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1ccc(O)c(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091844422 632508135 /nfs/dbraw/zinc/50/81/35/632508135.db2.gz MGJMSXSBMSTGSB-UHFFFAOYSA-N 2 1 248.370 2.402 20 10 BECDMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000258958776 635229826 /nfs/dbraw/zinc/22/98/26/635229826.db2.gz KTVFHTUIDUWPID-ZIAGYGMSSA-N 2 1 248.370 2.363 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000226933324 640803829 /nfs/dbraw/zinc/80/38/29/640803829.db2.gz BIAHQWNJYKKWRI-JSGCOSHPSA-N 2 1 248.370 2.402 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148794 642979818 /nfs/dbraw/zinc/97/98/18/642979818.db2.gz MKQYVAWNUIAXJO-AWEZNQCLSA-N 2 1 248.370 2.404 20 10 BECDMP Oc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667263 644873132 /nfs/dbraw/zinc/87/31/32/644873132.db2.gz HRFGCPQFMNVOTH-KGLIPLIRSA-N 2 1 246.354 2.109 20 10 BECDMP Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000817984044 644995257 /nfs/dbraw/zinc/99/52/57/644995257.db2.gz MDDCUMRJULRZKF-CHWSQXEVSA-N 2 1 246.354 2.111 20 10 BECDMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1O ZINC000925738242 646460624 /nfs/dbraw/zinc/46/06/24/646460624.db2.gz OTTMLMSTBNFXLB-SECBINFHSA-N 2 1 240.322 2.309 20 10 BECDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000925787107 646483604 /nfs/dbraw/zinc/48/36/04/646483604.db2.gz WRJMDMNKAZQTGQ-FRRDWIJNSA-N 2 1 248.370 2.268 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000709049623 712206513 /nfs/dbraw/zinc/20/65/13/712206513.db2.gz LJJFISTUNPATBF-CQSZACIVSA-N 2 1 248.370 2.404 20 10 BECDMP Oc1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237460 972415138 /nfs/dbraw/zinc/41/51/38/972415138.db2.gz KMAVTOBGKIIQQJ-HNNXBMFYSA-N 2 1 246.354 2.110 20 10 BECDMP CCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205082203 967332869 /nfs/dbraw/zinc/33/28/69/967332869.db2.gz CIHGOJLTFDNCQS-FZMZJTMJSA-N 2 1 248.370 2.266 20 10 BECDMP CCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205082203 967332889 /nfs/dbraw/zinc/33/28/89/967332889.db2.gz CIHGOJLTFDNCQS-FZMZJTMJSA-N 2 1 248.370 2.266 20 10 BECDMP Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205856019 967856814 /nfs/dbraw/zinc/85/68/14/967856814.db2.gz RXHHSQVWPOHPGS-AAEUAGOBSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205856019 967856815 /nfs/dbraw/zinc/85/68/15/967856815.db2.gz RXHHSQVWPOHPGS-AAEUAGOBSA-N 2 1 248.370 2.260 20 10 BECDMP CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205889325 967874203 /nfs/dbraw/zinc/87/42/03/967874203.db2.gz ZDBYQMCERVSGIK-RISCZKNCSA-N 2 1 248.370 2.124 20 10 BECDMP CCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205889325 967874206 /nfs/dbraw/zinc/87/42/06/967874206.db2.gz ZDBYQMCERVSGIK-RISCZKNCSA-N 2 1 248.370 2.124 20 10 BECDMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001330117856 974115650 /nfs/dbraw/zinc/11/56/50/974115650.db2.gz AFQDSVCRWJSASV-GRYCIOLGSA-N 2 1 248.370 2.446 20 10 BECDMP CC(C)[N@H+](Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236470196 979605030 /nfs/dbraw/zinc/60/50/30/979605030.db2.gz AYXLOQNAHJQJHF-OAHLLOKOSA-N 2 1 247.386 2.231 20 10 BECDMP CC(C)[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236470196 979605033 /nfs/dbraw/zinc/60/50/33/979605033.db2.gz AYXLOQNAHJQJHF-OAHLLOKOSA-N 2 1 247.386 2.231 20 10 BECDMP Cc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1O ZINC001205281028 979881518 /nfs/dbraw/zinc/88/15/18/979881518.db2.gz OHORYONRLUIRRA-OAHLLOKOSA-N 2 1 248.370 2.404 20 10 BECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC001352790126 982582898 /nfs/dbraw/zinc/58/28/98/982582898.db2.gz OWXMDEKGYIBHAQ-BZPMIXESSA-N 2 1 247.386 2.074 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205831650 982681598 /nfs/dbraw/zinc/68/15/98/982681598.db2.gz YFWXFXZVJOEKDF-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205831650 982681615 /nfs/dbraw/zinc/68/16/15/982681615.db2.gz YFWXFXZVJOEKDF-TZMCWYRMSA-N 2 1 248.370 2.260 20 10 BECDMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC001261424425 992294671 /nfs/dbraw/zinc/29/46/71/992294671.db2.gz UOBYBYZAODRYRV-NXEZZACHSA-N 2 1 240.322 2.180 20 10 BECDMP CCc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC001573832465 992731544 /nfs/dbraw/zinc/73/15/44/992731544.db2.gz UEELKQXRXQQDLX-GFCCVEGCSA-N 2 1 248.370 2.125 20 10 BECDMP Nc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC001262487905 992893919 /nfs/dbraw/zinc/89/39/19/992893919.db2.gz JVEGHDCRTMUZIO-OAHLLOKOSA-N 2 1 247.386 2.266 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000386181893 993682186 /nfs/dbraw/zinc/68/21/86/993682186.db2.gz UIANKUVXVODNAY-ZDUSSCGKSA-N 2 1 248.370 2.261 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000386181891 993682287 /nfs/dbraw/zinc/68/22/87/993682287.db2.gz UIANKUVXVODNAY-CYBMUJFWSA-N 2 1 248.370 2.261 20 10 BECDMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1O ZINC000128391939 385031624 /nfs/dbraw/zinc/03/16/24/385031624.db2.gz VOJKTIWQNBRZQD-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1O ZINC000128391939 385031634 /nfs/dbraw/zinc/03/16/34/385031634.db2.gz VOJKTIWQNBRZQD-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1O ZINC000128391939 385031640 /nfs/dbraw/zinc/03/16/40/385031640.db2.gz VOJKTIWQNBRZQD-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000037644122 170007691 /nfs/dbraw/zinc/00/76/91/170007691.db2.gz MDHKCSBVURRMAA-STQMWFEESA-N 2 1 248.370 2.385 20 10 BECDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2O)CC[N@@H+]1C ZINC000179579740 177327166 /nfs/dbraw/zinc/32/71/66/177327166.db2.gz HFPNXVCRNNKZCV-JSGCOSHPSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2O)CC[N@H+]1C ZINC000179579740 177327168 /nfs/dbraw/zinc/32/71/68/177327168.db2.gz HFPNXVCRNNKZCV-JSGCOSHPSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2O)CC[NH+]1C ZINC000179579740 177327170 /nfs/dbraw/zinc/32/71/70/177327170.db2.gz HFPNXVCRNNKZCV-JSGCOSHPSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)CC[NH+]1C ZINC000179579740 177327173 /nfs/dbraw/zinc/32/71/73/177327173.db2.gz HFPNXVCRNNKZCV-JSGCOSHPSA-N 2 1 248.370 2.307 20 10 BECDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000530219812 323218161 /nfs/dbraw/zinc/21/81/61/323218161.db2.gz MZUIHFKIRQTVQY-SMDDNHRTSA-N 2 1 246.354 2.327 20 10 BECDMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(C)cc1O ZINC000854231353 588781481 /nfs/dbraw/zinc/78/14/81/588781481.db2.gz GHITXXGFHBDPSQ-YPMHNXCESA-N 2 1 236.359 2.349 20 10 BECDMP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(C)cc1O ZINC000854231351 588781485 /nfs/dbraw/zinc/78/14/85/588781485.db2.gz GHITXXGFHBDPSQ-DGCLKSJQSA-N 2 1 236.359 2.349 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857226430 588895990 /nfs/dbraw/zinc/89/59/90/588895990.db2.gz NUJFXYGVQPRETI-UKRRQHHQSA-N 2 1 246.354 2.014 20 10 BECDMP Cc1cc(O)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1C ZINC000841033188 584032029 /nfs/dbraw/zinc/03/20/29/584032029.db2.gz OUQKZTPTPRPOHS-AWEZNQCLSA-N 2 1 248.370 2.241 20 10 BECDMP C[N@@H+](Cc1ccccc1O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311584 584862804 /nfs/dbraw/zinc/86/28/04/584862804.db2.gz FRRZVEPITZOJDR-HNNXBMFYSA-N 2 1 248.370 2.214 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412572 584879500 /nfs/dbraw/zinc/87/95/00/584879500.db2.gz WOWAZOPIOJAXSY-CHWSQXEVSA-N 2 1 248.370 2.117 20 10 BECDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1O ZINC000777824411 585720766 /nfs/dbraw/zinc/72/07/66/585720766.db2.gz FBQVPOFHWAVVHU-JSGCOSHPSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1O ZINC000777824411 585720767 /nfs/dbraw/zinc/72/07/67/585720767.db2.gz FBQVPOFHWAVVHU-JSGCOSHPSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1O ZINC000777824411 585720768 /nfs/dbraw/zinc/72/07/68/585720768.db2.gz FBQVPOFHWAVVHU-JSGCOSHPSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1O ZINC000777824411 585720769 /nfs/dbraw/zinc/72/07/69/585720769.db2.gz FBQVPOFHWAVVHU-JSGCOSHPSA-N 2 1 248.370 2.164 20 10 BECDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000817957339 586850331 /nfs/dbraw/zinc/85/03/31/586850331.db2.gz BAVKARBSSNHTGQ-SWLSCSKDSA-N 2 1 249.402 2.387 20 10 BECDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817960185 586851957 /nfs/dbraw/zinc/85/19/57/586851957.db2.gz YACWCRCXHKCWKZ-STQMWFEESA-N 2 1 248.370 2.343 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(O)c1C ZINC000817961305 586852614 /nfs/dbraw/zinc/85/26/14/586852614.db2.gz WWXHVOJFGMUKBC-BXUZGUMPSA-N 2 1 248.370 2.397 20 10 BECDMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C)cc1O ZINC000817969619 586856330 /nfs/dbraw/zinc/85/63/30/586856330.db2.gz FCGAOZLJSFONCJ-CMPLNLGQSA-N 2 1 222.332 2.089 20 10 BECDMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000817966944 586856932 /nfs/dbraw/zinc/85/69/32/586856932.db2.gz ZZEMRYNDGZXZNT-BXUZGUMPSA-N 2 1 235.375 2.141 20 10 BECDMP CC[C@@H]([NH3+])C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841071375 587942509 /nfs/dbraw/zinc/94/25/09/587942509.db2.gz FDMYLCLQAOSLBD-GEXIGZQTSA-N 2 1 247.386 2.093 20 10 BECDMP CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000841078056 587944744 /nfs/dbraw/zinc/94/47/44/587944744.db2.gz FBQJWXAHSXVXPJ-QWHCGFSZSA-N 2 1 249.402 2.358 20 10 BECDMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1O ZINC000843046410 588075895 /nfs/dbraw/zinc/07/58/95/588075895.db2.gz VCHGGXVCFPVAGI-GXTWGEPZSA-N 2 1 248.370 2.402 20 10 BECDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CCC[NH3+])cc1 ZINC000843050107 588076738 /nfs/dbraw/zinc/07/67/38/588076738.db2.gz CRHQZOOTPAIXAL-GQCTYLIASA-N 2 1 247.386 2.046 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1C ZINC000843053177 588077001 /nfs/dbraw/zinc/07/70/01/588077001.db2.gz YXSAKJFSSDIDAC-OCCSQVGLSA-N 2 1 248.370 2.178 20 10 BECDMP Cc1cc(Cl)cc(C[N@@H+](C)CCC[NH3+])c1O ZINC000843050215 588077397 /nfs/dbraw/zinc/07/73/97/588077397.db2.gz BYJKDTDCJFEWMI-UHFFFAOYSA-N 2 1 242.750 2.135 20 10 BECDMP Nc1ccc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000843125749 588084075 /nfs/dbraw/zinc/08/40/75/588084075.db2.gz HBXSRNTUQAPPCN-UHIISALHSA-N 2 1 231.343 2.069 20 10 BECDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(O)c1C ZINC000863546797 589297714 /nfs/dbraw/zinc/29/77/14/589297714.db2.gz MKPNQTNEYTUAAZ-SGMGOOAPSA-N 2 1 248.370 2.410 20 10 BECDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(O)c1C ZINC000863546792 589298094 /nfs/dbraw/zinc/29/80/94/589298094.db2.gz MKPNQTNEYTUAAZ-MBNYWOFBSA-N 2 1 248.370 2.410 20 10 BECDMP CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876889766 590254562 /nfs/dbraw/zinc/25/45/62/590254562.db2.gz QCCMHMWYJKRHID-UHFFFAOYSA-N 2 1 248.370 2.275 20 10 BECDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(O)c1 ZINC000877026509 590270810 /nfs/dbraw/zinc/27/08/10/590270810.db2.gz BNZFDDBWIDDWKV-CYBMUJFWSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1 ZINC000877070922 590277694 /nfs/dbraw/zinc/27/76/94/590277694.db2.gz YUMXOBSNQCCHHA-TZMCWYRMSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000877070922 590277696 /nfs/dbraw/zinc/27/76/96/590277696.db2.gz YUMXOBSNQCCHHA-TZMCWYRMSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1O ZINC000310898153 633016422 /nfs/dbraw/zinc/01/64/22/633016422.db2.gz DUDYRPFRBYNVHA-NSHDSACASA-N 2 1 245.326 2.248 20 10 BECDMP C[N@H+](Cc1ccccc1O)C[C@H]1CCCC[NH2+]C1 ZINC000903722200 637379980 /nfs/dbraw/zinc/37/99/80/637379980.db2.gz INWDTIIJGYGOTL-ZDUSSCGKSA-N 2 1 248.370 2.214 20 10 BECDMP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000817984664 644994988 /nfs/dbraw/zinc/99/49/88/644994988.db2.gz XDMQPFYHTKTWQT-QWHCGFSZSA-N 2 1 248.370 2.493 20 10 BECDMP Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000817984663 644995350 /nfs/dbraw/zinc/99/53/50/644995350.db2.gz XDMQPFYHTKTWQT-OLZOCXBDSA-N 2 1 248.370 2.493 20 10 BECDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000817980732 644995478 /nfs/dbraw/zinc/99/54/78/644995478.db2.gz WRJGUILDQZVIKB-DGCLKSJQSA-N 2 1 235.375 2.141 20 10 BECDMP Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000817984047 644995664 /nfs/dbraw/zinc/99/56/64/644995664.db2.gz MDDCUMRJULRZKF-STQMWFEESA-N 2 1 246.354 2.111 20 10 BECDMP Cc1ccc(O)c(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093861269 711559712 /nfs/dbraw/zinc/55/97/12/711559712.db2.gz QLPOFPCBGSITDS-UHFFFAOYSA-N 2 1 236.359 2.117 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000227185124 965260843 /nfs/dbraw/zinc/26/08/43/965260843.db2.gz JVKUPDYPRWRGTA-STQMWFEESA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2CN)c1O ZINC001205076844 967327094 /nfs/dbraw/zinc/32/70/94/967327094.db2.gz XKQMJUNNZYYMRJ-AAEUAGOBSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205076844 967327105 /nfs/dbraw/zinc/32/71/05/967327105.db2.gz XKQMJUNNZYYMRJ-AAEUAGOBSA-N 2 1 234.343 2.012 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205123649 967371484 /nfs/dbraw/zinc/37/14/84/967371484.db2.gz DKYKKZJONKMLQE-LBPRGKRZSA-N 2 1 234.343 2.014 20 10 BECDMP Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205856021 967856873 /nfs/dbraw/zinc/85/68/73/967856873.db2.gz RXHHSQVWPOHPGS-WCQYABFASA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cccc(O)c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205856021 967856874 /nfs/dbraw/zinc/85/68/74/967856874.db2.gz RXHHSQVWPOHPGS-WCQYABFASA-N 2 1 248.370 2.260 20 10 BECDMP C[C@H]1C[N@@H+](Cc2ccccc2O)CCC[C@@H]1C[NH3+] ZINC001205982103 967926127 /nfs/dbraw/zinc/92/61/27/967926127.db2.gz KNQZHZXVPZCGRW-QWHCGFSZSA-N 2 1 248.370 2.199 20 10 BECDMP C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCC[C@H]1C[NH3+] ZINC001206023134 967986257 /nfs/dbraw/zinc/98/62/57/967986257.db2.gz DGUZKCWESRXKPY-OCCSQVGLSA-N 2 1 247.386 2.076 20 10 BECDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001206295131 968203885 /nfs/dbraw/zinc/20/38/85/968203885.db2.gz LOBBXDBLZHTRDG-HNNXBMFYSA-N 2 1 248.370 2.343 20 10 BECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)[C@@H]1CC[NH3+] ZINC001337837743 978520241 /nfs/dbraw/zinc/52/02/41/978520241.db2.gz DKWUXTCYLVXANG-SWLSCSKDSA-N 2 1 247.386 2.218 20 10 BECDMP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001236867891 979769430 /nfs/dbraw/zinc/76/94/30/979769430.db2.gz DWDCWZXLSVJULJ-LBPRGKRZSA-N 2 1 236.359 2.178 20 10 BECDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001236867891 979769444 /nfs/dbraw/zinc/76/94/44/979769444.db2.gz DWDCWZXLSVJULJ-LBPRGKRZSA-N 2 1 236.359 2.178 20 10 BECDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)cc2)CCN1C ZINC001345160836 980570912 /nfs/dbraw/zinc/57/09/12/980570912.db2.gz ZYEXCKMJQVDIBC-DOMZBBRYSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N)cc2)CC[NH+]1C ZINC001345160836 980570930 /nfs/dbraw/zinc/57/09/30/980570930.db2.gz ZYEXCKMJQVDIBC-DOMZBBRYSA-N 2 1 247.386 2.183 20 10 BECDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N)cc2)CC[NH+]1C ZINC001345160836 980570938 /nfs/dbraw/zinc/57/09/38/980570938.db2.gz ZYEXCKMJQVDIBC-DOMZBBRYSA-N 2 1 247.386 2.183 20 10 BECDMP Oc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140851 183301028 /nfs/dbraw/zinc/30/10/28/183301028.db2.gz JHHAAIPDIVZTEB-UHFFFAOYSA-N 2 1 246.354 2.109 20 10 BECDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000277307188 386427444 /nfs/dbraw/zinc/42/74/44/386427444.db2.gz BKNHWBPURXABEK-CQSZACIVSA-N 2 1 248.370 2.308 20 10 BECDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1O ZINC000272890982 389035880 /nfs/dbraw/zinc/03/58/80/389035880.db2.gz SPSOFBDSDUPVSD-GFCCVEGCSA-N 2 1 246.354 2.305 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412573 584879723 /nfs/dbraw/zinc/87/97/23/584879723.db2.gz WOWAZOPIOJAXSY-OLZOCXBDSA-N 2 1 248.370 2.117 20 10 BECDMP CC[C@H]([NH2+]CCC[NH2+]C)c1ccc(F)cc1O ZINC000817941741 584991843 /nfs/dbraw/zinc/99/18/43/584991843.db2.gz WAYDBYBAWBVKMI-LBPRGKRZSA-N 2 1 240.322 2.182 20 10 BECDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2O)C1 ZINC000839183846 585096778 /nfs/dbraw/zinc/09/67/78/585096778.db2.gz ZWPAFSLXWKOCLB-CYBMUJFWSA-N 2 1 248.370 2.214 20 10 BECDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1O ZINC000777824410 585720864 /nfs/dbraw/zinc/72/08/64/585720864.db2.gz FBQVPOFHWAVVHU-GXTWGEPZSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1O ZINC000777824410 585720865 /nfs/dbraw/zinc/72/08/65/585720865.db2.gz FBQVPOFHWAVVHU-GXTWGEPZSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1O ZINC000777824410 585720866 /nfs/dbraw/zinc/72/08/66/585720866.db2.gz FBQVPOFHWAVVHU-GXTWGEPZSA-N 2 1 248.370 2.164 20 10 BECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1O ZINC000777824410 585720867 /nfs/dbraw/zinc/72/08/67/585720867.db2.gz FBQVPOFHWAVVHU-GXTWGEPZSA-N 2 1 248.370 2.164 20 10 BECDMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C)cc1O ZINC000817952847 586849156 /nfs/dbraw/zinc/84/91/56/586849156.db2.gz VHEKDXRTSCUKBJ-JSGCOSHPSA-N 2 1 248.370 2.493 20 10 BECDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817960182 586851485 /nfs/dbraw/zinc/85/14/85/586851485.db2.gz YACWCRCXHKCWKZ-OLZOCXBDSA-N 2 1 248.370 2.343 20 10 BECDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1O ZINC000817960122 586851995 /nfs/dbraw/zinc/85/19/95/586851995.db2.gz XOJFIKRUEDASRI-NEPJUHHUSA-N 2 1 236.359 2.416 20 10 BECDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000817961212 586852733 /nfs/dbraw/zinc/85/27/33/586852733.db2.gz VJZWNQZEVJKHQJ-NHYWBVRUSA-N 2 1 247.386 2.141 20 10 BECDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817963886 586853691 /nfs/dbraw/zinc/85/36/91/586853691.db2.gz XNMQCONJVLSRLQ-OLZOCXBDSA-N 2 1 248.370 2.487 20 10 BECDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817963885 586854280 /nfs/dbraw/zinc/85/42/80/586854280.db2.gz XNMQCONJVLSRLQ-CHWSQXEVSA-N 2 1 248.370 2.487 20 10 BECDMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000817966945 586856254 /nfs/dbraw/zinc/85/62/54/586856254.db2.gz ZZEMRYNDGZXZNT-RISCZKNCSA-N 2 1 235.375 2.141 20 10 BECDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000817970988 586857355 /nfs/dbraw/zinc/85/73/55/586857355.db2.gz IWTRAHJWUNQALD-VXGBXAGGSA-N 2 1 235.375 2.141 20 10 BECDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000817970986 586858363 /nfs/dbraw/zinc/85/83/63/586858363.db2.gz IWTRAHJWUNQALD-NWDGAFQWSA-N 2 1 235.375 2.141 20 10 BECDMP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1O ZINC000817977892 586861588 /nfs/dbraw/zinc/86/15/88/586861588.db2.gz RFHUPUJQQFPMGX-NXEZZACHSA-N 2 1 240.322 2.309 20 10 BECDMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1C ZINC000841029297 587935976 /nfs/dbraw/zinc/93/59/76/587935976.db2.gz MHBVVNSRVXPVLY-ZDUSSCGKSA-N 2 1 236.359 2.077 20 10 BECDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000841029451 587936528 /nfs/dbraw/zinc/93/65/28/587936528.db2.gz HGBDBFAJNTUBSO-OAHLLOKOSA-N 2 1 249.402 2.134 20 10 BECDMP C[C@H](CN)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841059452 587940575 /nfs/dbraw/zinc/94/05/75/587940575.db2.gz DTZIUAAGRJNMPQ-CYBMUJFWSA-N 2 1 247.386 2.114 20 10 BECDMP C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841059452 587940577 /nfs/dbraw/zinc/94/05/77/587940577.db2.gz DTZIUAAGRJNMPQ-CYBMUJFWSA-N 2 1 247.386 2.114 20 10 BECDMP CC[NH2+][C@H](C)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000841066864 587942922 /nfs/dbraw/zinc/94/29/22/587942922.db2.gz XFFSGOFTZMYZEV-GFCCVEGCSA-N 2 1 236.359 2.097 20 10 BECDMP C[NH2+]CCC[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000841103369 587946784 /nfs/dbraw/zinc/94/67/84/587946784.db2.gz HGHQGUNJRKIVGA-UHFFFAOYSA-N 2 1 236.359 2.050 20 10 BECDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843052144 588076695 /nfs/dbraw/zinc/07/66/95/588076695.db2.gz HNSWONQPNNSGKE-CYBMUJFWSA-N 2 1 248.370 2.050 20 10 BECDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CCC[NH3+])cc1 ZINC000843050108 588076701 /nfs/dbraw/zinc/07/67/01/588076701.db2.gz CRHQZOOTPAIXAL-XQRVVYSFSA-N 2 1 247.386 2.046 20 10 BECDMP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843051786 588076830 /nfs/dbraw/zinc/07/68/30/588076830.db2.gz LRRRSMGVROUKEF-OLZOCXBDSA-N 2 1 248.370 2.260 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1C ZINC000843117841 588082831 /nfs/dbraw/zinc/08/28/31/588082831.db2.gz VFINQPAWFOYOFA-OAHLLOKOSA-N 2 1 248.370 2.180 20 10 BECDMP Cc1cc(O)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1C ZINC000843117839 588083014 /nfs/dbraw/zinc/08/30/14/588083014.db2.gz VFINQPAWFOYOFA-HNNXBMFYSA-N 2 1 248.370 2.180 20 10 BECDMP Cc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230656 590003008 /nfs/dbraw/zinc/00/30/08/590003008.db2.gz VNTQVJMAZRXZFD-ZFWWWQNUSA-N 2 1 246.354 2.075 20 10 BECDMP Cc1cccc(O)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876730040 590234567 /nfs/dbraw/zinc/23/45/67/590234567.db2.gz AWNPXGJQWDBSCJ-CYBMUJFWSA-N 2 1 248.370 2.084 20 10 BECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000876942675 590259570 /nfs/dbraw/zinc/25/95/70/590259570.db2.gz ATIHMXBNJQQMJE-ZDUSSCGKSA-N 2 1 248.370 2.132 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229062142 640919579 /nfs/dbraw/zinc/91/95/79/640919579.db2.gz AOPAWFAZGJIJNZ-OCCSQVGLSA-N 2 1 248.370 2.117 20 10 BECDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148793 642980333 /nfs/dbraw/zinc/98/03/33/642980333.db2.gz MKQYVAWNUIAXJO-CQSZACIVSA-N 2 1 248.370 2.404 20 10 BECDMP Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000071409527 643143223 /nfs/dbraw/zinc/14/32/23/643143223.db2.gz BIAHQWNJYKKWRI-TZMCWYRMSA-N 2 1 248.370 2.402 20 10 BECDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000084946394 643676893 /nfs/dbraw/zinc/67/68/93/643676893.db2.gz WRCSVYMFXRWOAI-JSGCOSHPSA-N 2 1 247.386 2.064 20 10 BECDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000923378603 644392038 /nfs/dbraw/zinc/39/20/38/644392038.db2.gz VLOXHWMSEHFJMO-UHFFFAOYSA-N 2 1 249.402 2.102 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000090721788 644602347 /nfs/dbraw/zinc/60/23/47/644602347.db2.gz CJBUMQKXUXZCJQ-TZMCWYRMSA-N 2 1 248.370 2.273 20 10 BECDMP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090721788 644602352 /nfs/dbraw/zinc/60/23/52/644602352.db2.gz CJBUMQKXUXZCJQ-TZMCWYRMSA-N 2 1 248.370 2.273 20 10 BECDMP Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000817984045 644994123 /nfs/dbraw/zinc/99/41/23/644994123.db2.gz MDDCUMRJULRZKF-OLZOCXBDSA-N 2 1 246.354 2.111 20 10 BECDMP Oc1cccc2c1[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000817984046 644994642 /nfs/dbraw/zinc/99/46/42/644994642.db2.gz MDDCUMRJULRZKF-QWHCGFSZSA-N 2 1 246.354 2.111 20 10 BECDMP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984386 644995400 /nfs/dbraw/zinc/99/54/00/644995400.db2.gz RVHRXKWUEINOOZ-RYUDHWBXSA-N 2 1 234.343 2.185 20 10 BECDMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1O ZINC000925784332 646480818 /nfs/dbraw/zinc/48/08/18/646480818.db2.gz MIBXABZHSQEBRC-KGYLQXTDSA-N 2 1 234.343 2.041 20 10 BECDMP