smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000234266447 386042330 /nfs/dbraw/zinc/04/23/30/386042330.db2.gz DKWPAWNPESHYFB-GFCCVEGCSA-N 1 2 238.306 1.667 10 10 BDCELO CN(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000234266447 386042333 /nfs/dbraw/zinc/04/23/33/386042333.db2.gz DKWPAWNPESHYFB-GFCCVEGCSA-N 1 2 238.306 1.667 10 10 BDCELO CCOC(=O)C[NH2+]Cc1cccc(F)c1O ZINC000083355209 170225573 /nfs/dbraw/zinc/22/55/73/170225573.db2.gz HKJITQZZHLNVJJ-UHFFFAOYSA-N 1 2 227.235 1.184 10 10 BDCELO C[C@@H]1CC(c2ccc(N)cc2)=[NH+]NC1=O ZINC000027882311 176056346 /nfs/dbraw/zinc/05/63/46/176056346.db2.gz WDTDPPXBFNJALR-SSDOTTSWSA-N 1 2 203.245 1.129 10 10 BDCELO [NH3+]c1ccc(N2CCN(CC(F)F)CC2)cc1 ZINC000057952835 132367566 /nfs/dbraw/zinc/36/75/66/132367566.db2.gz GKORLSXFJRSLCZ-UHFFFAOYSA-N 1 2 241.285 1.656 10 10 BDCELO Oc1ccc([C@@H](O)Cn2cc[nH+]c2)cc1O ZINC000027841965 187319793 /nfs/dbraw/zinc/31/97/93/187319793.db2.gz NUVHOIBRHPUYQL-NSHDSACASA-N 1 2 220.228 1.028 10 10 BDCELO Cc1nc(NCc2cc(N)ccc2O)cc[nH+]1 ZINC000054936927 180200925 /nfs/dbraw/zinc/20/09/25/180200925.db2.gz RSQRSXXZCGFWFS-UHFFFAOYSA-N 1 2 230.271 1.685 10 10 BDCELO [NH3+][C@H](CCF)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000575438887 387120214 /nfs/dbraw/zinc/12/02/14/387120214.db2.gz FFVICTSJFIFVOB-ZCFIWIBFSA-N 1 2 230.195 1.365 10 10 BDCELO CNC(=O)[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000033464911 132336219 /nfs/dbraw/zinc/33/62/19/132336219.db2.gz TTXVHRFDCFSKTK-SNVBAGLBSA-N 1 2 233.315 1.231 10 10 BDCELO CNC(=O)[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000033464911 132336222 /nfs/dbraw/zinc/33/62/22/132336222.db2.gz TTXVHRFDCFSKTK-SNVBAGLBSA-N 1 2 233.315 1.231 10 10 BDCELO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708443610 712194545 /nfs/dbraw/zinc/19/45/45/712194545.db2.gz QECLQACBJUAKBB-CPCISQLKSA-N 1 2 243.253 1.937 10 10 BDCELO CC[C@@H]1C[N@@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000409436081 343836642 /nfs/dbraw/zinc/83/66/42/343836642.db2.gz XYLFIKIJRGJELC-ZWNOBZJWSA-N 1 2 220.316 1.866 10 10 BDCELO CC[C@@H]1C[N@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000409436081 343836645 /nfs/dbraw/zinc/83/66/45/343836645.db2.gz XYLFIKIJRGJELC-ZWNOBZJWSA-N 1 2 220.316 1.866 10 10 BDCELO CCOC(=O)c1cc(Cl)c(O)c(C[NH3+])c1 ZINC000029221205 170292154 /nfs/dbraw/zinc/29/21/54/170292154.db2.gz OPMLPYFQGFNFIX-UHFFFAOYSA-N 1 2 229.663 1.681 10 10 BDCELO C[C@H]1CN(c2ccc([NH3+])cc2)CCCO1 ZINC000061916733 177277478 /nfs/dbraw/zinc/27/74/78/177277478.db2.gz WUYWASADPPCJHB-JTQLQIEISA-N 1 2 206.289 1.884 10 10 BDCELO CCOc1cc([N+](=O)[O-])cc(C[NH+](C)C)c1O ZINC000005863122 342770975 /nfs/dbraw/zinc/77/09/75/342770975.db2.gz UIOLKWYSNAUAQC-UHFFFAOYSA-N 1 2 240.259 1.761 10 10 BDCELO C[C@@H](O)[C@@H]1CCCN1c1ccc([NH3+])cc1 ZINC000409426779 343799165 /nfs/dbraw/zinc/79/91/65/343799165.db2.gz IRHNDIUKANLSKC-SKDRFNHKSA-N 1 2 206.289 1.618 10 10 BDCELO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc[nH]2)c1 ZINC000037919650 178804028 /nfs/dbraw/zinc/80/40/28/178804028.db2.gz ZWNMPJPOFOZZTH-SECBINFHSA-N 1 2 232.287 1.670 10 10 BDCELO CCCN(c1ccc([NH3+])cc1)[C@H](C)C(=O)NC ZINC000063115822 169182455 /nfs/dbraw/zinc/18/24/55/169182455.db2.gz FMRDRRYEDMVFPM-SNVBAGLBSA-N 1 2 235.331 1.620 10 10 BDCELO CCCN(c1ccc([NH3+])cc1)[C@@H](C)C(=O)NC ZINC000063115820 169183023 /nfs/dbraw/zinc/18/30/23/169183023.db2.gz FMRDRRYEDMVFPM-JTQLQIEISA-N 1 2 235.331 1.620 10 10 BDCELO [NH3+][C@H](CO)c1c(O)c(Cl)ccc1F ZINC000072198010 384809716 /nfs/dbraw/zinc/80/97/16/384809716.db2.gz FXLGOXMRJDJZOP-ZCFIWIBFSA-N 1 2 205.616 1.177 10 10 BDCELO CNC(=O)[C@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000033464912 132336152 /nfs/dbraw/zinc/33/61/52/132336152.db2.gz TTXVHRFDCFSKTK-JTQLQIEISA-N 1 2 233.315 1.231 10 10 BDCELO CNC(=O)[C@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000033464912 132336153 /nfs/dbraw/zinc/33/61/53/132336153.db2.gz TTXVHRFDCFSKTK-JTQLQIEISA-N 1 2 233.315 1.231 10 10 BDCELO COc1ccc([C@@H](C)[NH2+]Cc2nnc[nH]2)c(O)c1 ZINC000037919499 175177173 /nfs/dbraw/zinc/17/71/73/175177173.db2.gz BEYFKZXAVKVLDK-MRVPVSSYSA-N 1 2 248.286 1.370 10 10 BDCELO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708443613 712194817 /nfs/dbraw/zinc/19/48/17/712194817.db2.gz QECLQACBJUAKBB-WRWORJQWSA-N 1 2 243.253 1.937 10 10 BDCELO Cc1cc([N+](=O)[O-])c(O)c2c1CC[C@@H]2[NH3+] ZINC000026149180 178270438 /nfs/dbraw/zinc/27/04/38/178270438.db2.gz BRRXRDSIYDOCFA-ZETCQYMHSA-N 1 2 208.217 1.555 10 10 BDCELO CNc1nc(Nc2ccc(N)cc2)cc[nH+]1 ZINC000409431269 343815330 /nfs/dbraw/zinc/81/53/30/343815330.db2.gz ZRQFUQMXQMYPHW-UHFFFAOYSA-N 1 2 215.260 1.266 10 10 BDCELO CC[C@H]1C[N@@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000409436079 343836845 /nfs/dbraw/zinc/83/68/45/343836845.db2.gz XYLFIKIJRGJELC-GXFFZTMASA-N 1 2 220.316 1.866 10 10 BDCELO CC[C@H]1C[N@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000409436079 343836846 /nfs/dbraw/zinc/83/68/46/343836846.db2.gz XYLFIKIJRGJELC-GXFFZTMASA-N 1 2 220.316 1.866 10 10 BDCELO Nc1ccc([N@@H+]2C[C@H](CO)C3(CCC3)C2)cc1 ZINC000409434832 383840324 /nfs/dbraw/zinc/84/03/24/383840324.db2.gz QUJPRVLYODZQPN-LLVKDONJSA-N 1 2 232.327 1.868 10 10 BDCELO Nc1ccc([N@H+]2C[C@H](CO)C3(CCC3)C2)cc1 ZINC000409434832 383840332 /nfs/dbraw/zinc/84/03/32/383840332.db2.gz QUJPRVLYODZQPN-LLVKDONJSA-N 1 2 232.327 1.868 10 10 BDCELO NC[C@@H]([NH3+])c1cccc(Br)c1O ZINC000072201259 384814944 /nfs/dbraw/zinc/81/49/44/384814944.db2.gz YFUABXYDRYMKCG-SSDOTTSWSA-N 1 2 231.093 1.113 10 10 BDCELO CCOC(=O)C[NH2+]Cc1ccc(OC)cc1O ZINC000040906646 170225676 /nfs/dbraw/zinc/22/56/76/170225676.db2.gz HPVOEOVZKNKOFA-UHFFFAOYSA-N 1 2 239.271 1.054 10 10 BDCELO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](C)O ZINC000708505663 712212118 /nfs/dbraw/zinc/21/21/18/712212118.db2.gz YUNIDKMUHHOEBJ-RQJHMYQMSA-N 1 2 231.242 1.529 10 10 BDCELO [NH3+][C@H](CCO)c1c(O)cc(F)cc1F ZINC000044233568 343496048 /nfs/dbraw/zinc/49/60/48/343496048.db2.gz MIQUSKPGPOTFFB-SSDOTTSWSA-N 1 2 203.188 1.053 10 10 BDCELO CO[C@H]1CCCN(c2ccc([NH3+])cc2)C1 ZINC000230219982 343793627 /nfs/dbraw/zinc/79/36/27/343793627.db2.gz OXXGGOPASQGSDZ-LBPRGKRZSA-N 1 2 206.289 1.884 10 10 BDCELO CC[C@@H]1C[N@@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000409436080 343836970 /nfs/dbraw/zinc/83/69/70/343836970.db2.gz XYLFIKIJRGJELC-MFKMUULPSA-N 1 2 220.316 1.866 10 10 BDCELO CC[C@@H]1C[N@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000409436080 343836973 /nfs/dbraw/zinc/83/69/73/343836973.db2.gz XYLFIKIJRGJELC-MFKMUULPSA-N 1 2 220.316 1.866 10 10 BDCELO [NH3+][C@@H](CCO)c1c(O)cc(F)cc1F ZINC000044233571 344989158 /nfs/dbraw/zinc/98/91/58/344989158.db2.gz MIQUSKPGPOTFFB-ZETCQYMHSA-N 1 2 203.188 1.053 10 10 BDCELO c1[nH]c([C@@H]2CNc3ccccc3N2)c[nH+]1 ZINC000616690791 369113369 /nfs/dbraw/zinc/11/33/69/369113369.db2.gz RZCORWVADWEDJG-NSHDSACASA-N 1 2 200.245 1.988 10 10 BDCELO c1[nH]cc([C@@H]2CNc3ccccc3N2)[nH+]1 ZINC000616690791 369113373 /nfs/dbraw/zinc/11/33/73/369113373.db2.gz RZCORWVADWEDJG-NSHDSACASA-N 1 2 200.245 1.988 10 10 BDCELO C[C@H](c1cc(F)ccc1O)[NH+]1CCOCC1 ZINC000132448753 371824725 /nfs/dbraw/zinc/82/47/25/371824725.db2.gz GMDLFOHNCUKRQI-SECBINFHSA-N 1 2 225.263 1.925 10 10 BDCELO CCNC(=O)CC[N@H+](CC)c1ccc(N)cc1 ZINC000063114882 170050301 /nfs/dbraw/zinc/05/03/01/170050301.db2.gz PTAZXYSHJJIGGC-UHFFFAOYSA-N 1 2 235.331 1.621 10 10 BDCELO CCNC(=O)CC[N@@H+](CC)c1ccc(N)cc1 ZINC000063114882 170050303 /nfs/dbraw/zinc/05/03/03/170050303.db2.gz PTAZXYSHJJIGGC-UHFFFAOYSA-N 1 2 235.331 1.621 10 10 BDCELO COc1cc([N+](=O)[O-])cc(C[NH+](C)C)c1O ZINC000005689194 175017622 /nfs/dbraw/zinc/01/76/22/175017622.db2.gz MSWHEVZDIOXYEF-UHFFFAOYSA-N 1 2 226.232 1.371 10 10 BDCELO C[C@H]1CCC[N@@H+]1CC(=O)c1ccc(O)c(O)c1 ZINC000037911679 177108858 /nfs/dbraw/zinc/10/88/58/177108858.db2.gz YCEKAUVNNOOAEU-VIFPVBQESA-N 1 2 235.283 1.765 10 10 BDCELO C[C@H]1CCC[N@H+]1CC(=O)c1ccc(O)c(O)c1 ZINC000037911679 177108859 /nfs/dbraw/zinc/10/88/59/177108859.db2.gz YCEKAUVNNOOAEU-VIFPVBQESA-N 1 2 235.283 1.765 10 10 BDCELO OCC1CC([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708535486 712211978 /nfs/dbraw/zinc/21/19/78/712211978.db2.gz LBCPTKKQRVXUJH-UHFFFAOYSA-N 1 2 243.253 1.531 10 10 BDCELO C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000379915553 712626512 /nfs/dbraw/zinc/62/65/12/712626512.db2.gz BUXFOMUKEGMLJS-JGVFFNPUSA-N 1 2 229.707 1.905 10 10 BDCELO Cc1cc(NCc2ccc(N)cc2)nc[nH+]1 ZINC000040727566 178173785 /nfs/dbraw/zinc/17/37/85/178173785.db2.gz CCZMRJZNCUCZKP-UHFFFAOYSA-N 1 2 214.272 1.979 10 10 BDCELO Nc1ccc([N@@H+]2CC[C@H](O)[C@@H](CCF)C2)cc1 ZINC000409425350 343819284 /nfs/dbraw/zinc/81/92/84/343819284.db2.gz AJLIYYXIJJINKF-GWCFXTLKSA-N 1 2 238.306 1.816 10 10 BDCELO Nc1ccc([N@H+]2CC[C@H](O)[C@@H](CCF)C2)cc1 ZINC000409425350 343819285 /nfs/dbraw/zinc/81/92/85/343819285.db2.gz AJLIYYXIJJINKF-GWCFXTLKSA-N 1 2 238.306 1.816 10 10 BDCELO Nc1ccc([N@@H+]2C[C@H]3CCC[C@@]3(CO)C2)cc1 ZINC000409432343 343826031 /nfs/dbraw/zinc/82/60/31/343826031.db2.gz LDJJQSPCVCVCAF-RISCZKNCSA-N 1 2 232.327 1.868 10 10 BDCELO Nc1ccc([N@H+]2C[C@H]3CCC[C@@]3(CO)C2)cc1 ZINC000409432343 343826033 /nfs/dbraw/zinc/82/60/33/343826033.db2.gz LDJJQSPCVCVCAF-RISCZKNCSA-N 1 2 232.327 1.868 10 10 BDCELO CN(C)c1cc[nH+]c(Nc2ccc(N)cc2)n1 ZINC000409429906 343806608 /nfs/dbraw/zinc/80/66/08/343806608.db2.gz UGVQBZAEDCOXBR-UHFFFAOYSA-N 1 2 229.287 1.868 10 10 BDCELO NC(=O)[C@H]1CCCCN1c1ccc([NH3+])cc1 ZINC000042406017 132351082 /nfs/dbraw/zinc/35/10/82/132351082.db2.gz VCELBXFTACGVHY-LLVKDONJSA-N 1 2 219.288 1.113 10 10 BDCELO C[C@H](O)[C@@H]1CCCN1c1ccc([NH3+])cc1 ZINC000409426774 343798998 /nfs/dbraw/zinc/79/89/98/343798998.db2.gz IRHNDIUKANLSKC-CABZTGNLSA-N 1 2 206.289 1.618 10 10 BDCELO Nc1ccc([N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000409432344 343826111 /nfs/dbraw/zinc/82/61/11/343826111.db2.gz LDJJQSPCVCVCAF-SMDDNHRTSA-N 1 2 232.327 1.868 10 10 BDCELO Nc1ccc([N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000409432344 343826112 /nfs/dbraw/zinc/82/61/12/343826112.db2.gz LDJJQSPCVCVCAF-SMDDNHRTSA-N 1 2 232.327 1.868 10 10 BDCELO c1[nH]c([C@H]2CNc3ccccc3N2)c[nH+]1 ZINC000616681081 351248726 /nfs/dbraw/zinc/24/87/26/351248726.db2.gz RZCORWVADWEDJG-LLVKDONJSA-N 1 2 200.245 1.988 10 10 BDCELO c1[nH]cc([C@H]2CNc3ccccc3N2)[nH+]1 ZINC000616681081 351248728 /nfs/dbraw/zinc/24/87/28/351248728.db2.gz RZCORWVADWEDJG-LLVKDONJSA-N 1 2 200.245 1.988 10 10 BDCELO c1cc2c(cc1N1CCOCC1)CCC[NH2+]2 ZINC000032013289 183368928 /nfs/dbraw/zinc/36/89/28/183368928.db2.gz BWFFFYJBRLAKKJ-UHFFFAOYSA-N 1 2 218.300 1.881 10 10 BDCELO [NH3+][C@@H](CO)c1cc(F)cc(Cl)c1O ZINC000072198003 385297952 /nfs/dbraw/zinc/29/79/52/385297952.db2.gz IJZZBTJHPIBENO-ZETCQYMHSA-N 1 2 205.616 1.177 10 10 BDCELO COCCOCC[NH2+]c1ccc(N)cc1 ZINC000033610831 174359237 /nfs/dbraw/zinc/35/92/37/174359237.db2.gz PTMJZCOPVRHVKJ-UHFFFAOYSA-N 1 2 210.277 1.344 10 10 BDCELO CC[NH+](CC)Cc1c(O)ccc(C=O)c1O ZINC000014980171 342889924 /nfs/dbraw/zinc/88/99/24/342889924.db2.gz ZWYBOUOVDJXBLZ-UHFFFAOYSA-N 1 2 223.272 1.752 10 10 BDCELO Nc1ccc([N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000409425184 343818660 /nfs/dbraw/zinc/81/86/60/343818660.db2.gz FJTXFYGNLHCKNJ-AOOOYVTPSA-N 1 2 204.273 1.351 10 10 BDCELO Nc1ccc([N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000409425184 343818661 /nfs/dbraw/zinc/81/86/61/343818661.db2.gz FJTXFYGNLHCKNJ-AOOOYVTPSA-N 1 2 204.273 1.351 10 10 BDCELO Oc1ccc(C[NH2+]Cc2ccn[nH]2)c(O)c1 ZINC000041014086 183271045 /nfs/dbraw/zinc/27/10/45/183271045.db2.gz XWIRLXIVEUHDJR-UHFFFAOYSA-N 1 2 219.244 1.111 10 10 BDCELO [NH3+][C@@H](CCF)c1cc([N+](=O)[O-])ccc1O ZINC000575439314 387123296 /nfs/dbraw/zinc/12/32/96/387123296.db2.gz RHPGEMGJYSMJCM-QMMMGPOBSA-N 1 2 214.196 1.660 10 10 BDCELO CC1(O)CC[NH+](c2ccc(N)cc2)CC1 ZINC000088022424 132201168 /nfs/dbraw/zinc/20/11/68/132201168.db2.gz JZZHRLBFDMHDPJ-UHFFFAOYSA-N 1 2 206.289 1.620 10 10 BDCELO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708443612 712194685 /nfs/dbraw/zinc/19/46/85/712194685.db2.gz QECLQACBJUAKBB-RDDDGLTNSA-N 1 2 243.253 1.937 10 10 BDCELO c1c[nH+]c([C@H]2CNc3ccccc3N2)[nH]1 ZINC000616679436 343535428 /nfs/dbraw/zinc/53/54/28/343535428.db2.gz FRGCKZIZWGLDBS-SNVBAGLBSA-N 1 2 200.245 1.988 10 10 BDCELO CO[C@@H]1CN(c2ccc([NH3+])cc2)C[C@H]1OC ZINC000234987261 343795066 /nfs/dbraw/zinc/79/50/66/343795066.db2.gz UQPBKPAXHRNTNW-VXGBXAGGSA-N 1 2 222.288 1.119 10 10 BDCELO Nc1ccc([N@@H+]2C[C@@H]3CCC[C@@]3(CO)C2)cc1 ZINC000409432342 343826007 /nfs/dbraw/zinc/82/60/07/343826007.db2.gz LDJJQSPCVCVCAF-FZMZJTMJSA-N 1 2 232.327 1.868 10 10 BDCELO Nc1ccc([N@H+]2C[C@@H]3CCC[C@@]3(CO)C2)cc1 ZINC000409432342 343826009 /nfs/dbraw/zinc/82/60/09/343826009.db2.gz LDJJQSPCVCVCAF-FZMZJTMJSA-N 1 2 232.327 1.868 10 10 BDCELO [NH3+]Cc1c(O)cc(F)cc1Br ZINC000307630647 353088414 /nfs/dbraw/zinc/08/84/14/353088414.db2.gz WYBBUDAIAOHJHG-UHFFFAOYSA-N 1 2 220.041 1.753 10 10 BDCELO Oc1cccc(C[NH2+]Cc2ccn[nH]2)c1O ZINC000041049449 183291773 /nfs/dbraw/zinc/29/17/73/183291773.db2.gz WYAHVZPVXBLNFV-UHFFFAOYSA-N 1 2 219.244 1.111 10 10 BDCELO [NH3+][C@H](CO)c1cc(F)cc(Cl)c1O ZINC000072198002 385296458 /nfs/dbraw/zinc/29/64/58/385296458.db2.gz IJZZBTJHPIBENO-SSDOTTSWSA-N 1 2 205.616 1.177 10 10 BDCELO C[C@@H]1CO[C@@H](C)CN1c1ccc([NH3+])cc1 ZINC000035783767 132339703 /nfs/dbraw/zinc/33/97/03/132339703.db2.gz HNTGDHIINTWFDB-ZJUUUORDSA-N 1 2 206.289 1.882 10 10 BDCELO CCOC(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000083355207 170225455 /nfs/dbraw/zinc/22/54/55/170225455.db2.gz PVKLDMBBGBUACS-UHFFFAOYSA-N 1 2 227.235 1.184 10 10 BDCELO CCOC(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000037563566 170225633 /nfs/dbraw/zinc/22/56/33/170225633.db2.gz JRHKLAXBYVMBPQ-UHFFFAOYSA-N 1 2 239.271 1.054 10 10 BDCELO C[N@@H+]1CCO[C@H](c2ccc(O)c(O)c2)C1 ZINC000039096924 173108991 /nfs/dbraw/zinc/10/89/91/173108991.db2.gz IOWVGBMUHBTJHU-NSHDSACASA-N 1 2 209.245 1.101 10 10 BDCELO C[N@H+]1CCO[C@H](c2ccc(O)c(O)c2)C1 ZINC000039096924 173108994 /nfs/dbraw/zinc/10/89/94/173108994.db2.gz IOWVGBMUHBTJHU-NSHDSACASA-N 1 2 209.245 1.101 10 10 BDCELO CNC(=O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162829111 173302781 /nfs/dbraw/zinc/30/27/81/173302781.db2.gz DSEUMZRQWPRJLS-ZETCQYMHSA-N 1 2 242.706 1.270 10 10 BDCELO COc1ccc(Nc2ccc(N)c[nH+]2)cn1 ZINC000007276151 175156242 /nfs/dbraw/zinc/15/62/42/175156242.db2.gz QTEMVJVKCFIXDC-UHFFFAOYSA-N 1 2 216.244 1.811 10 10 BDCELO CNc1cc(C)[nH+]c(Nc2ccc(N)cc2)n1 ZINC000409426871 343799626 /nfs/dbraw/zinc/79/96/26/343799626.db2.gz GYPQWGGWMQQZLW-UHFFFAOYSA-N 1 2 229.287 1.574 10 10 BDCELO Nc1ccc([NH+]2C[C@H]3COC[C@@H]3C2)cc1 ZINC000409425186 343818745 /nfs/dbraw/zinc/81/87/45/343818745.db2.gz FJTXFYGNLHCKNJ-UWVGGRQHSA-N 1 2 204.273 1.351 10 10 BDCELO [NH3+]Cc1cc(F)cc(Br)c1O ZINC000215752723 349919844 /nfs/dbraw/zinc/91/98/44/349919844.db2.gz VCBGCPJBCURNHA-UHFFFAOYSA-N 1 2 220.041 1.753 10 10 BDCELO Cc1nc(NCCOc2ccc(N)cc2)cc[nH+]1 ZINC000054937027 180199342 /nfs/dbraw/zinc/19/93/42/180199342.db2.gz BTLWOKSPLIRWEC-UHFFFAOYSA-N 1 2 244.298 1.858 10 10 BDCELO [NH3+][C@@H](CCF)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000575439535 387124638 /nfs/dbraw/zinc/12/46/38/387124638.db2.gz FFVICTSJFIFVOB-LURJTMIESA-N 1 2 230.195 1.365 10 10 BDCELO CCNc1nc(Nc2ccc(N)cc2)cc[nH+]1 ZINC000409428089 343802607 /nfs/dbraw/zinc/80/26/07/343802607.db2.gz LSRFZASAQSFBCT-UHFFFAOYSA-N 1 2 229.287 1.656 10 10 BDCELO Nc1ccc([N@@H+]2CC[C@@H](O)[C@@H](CCF)C2)cc1 ZINC000409425352 343819257 /nfs/dbraw/zinc/81/92/57/343819257.db2.gz AJLIYYXIJJINKF-GXFFZTMASA-N 1 2 238.306 1.816 10 10 BDCELO Nc1ccc([N@H+]2CC[C@@H](O)[C@@H](CCF)C2)cc1 ZINC000409425352 343819259 /nfs/dbraw/zinc/81/92/59/343819259.db2.gz AJLIYYXIJJINKF-GXFFZTMASA-N 1 2 238.306 1.816 10 10 BDCELO O=[N+]([O-])c1cc([C@@H]2CCC[NH2+]2)cc(O)c1O ZINC000309378487 347044451 /nfs/dbraw/zinc/04/44/51/347044451.db2.gz IXBFXEIYSSCBMK-ZETCQYMHSA-N 1 2 224.216 1.431 10 10 BDCELO CCOc1cc(C=O)cc(C[NH+](C)C)c1O ZINC000616576209 349100754 /nfs/dbraw/zinc/10/07/54/349100754.db2.gz OMKGBUUNEIYCGL-UHFFFAOYSA-N 1 2 223.272 1.665 10 10 BDCELO [NH3+][C@H](CF)c1c(O)cc(F)c(F)c1F ZINC000306728156 350898841 /nfs/dbraw/zinc/89/88/41/350898841.db2.gz BKGMVTYGJOIMDE-SCSAIBSYSA-N 1 2 209.142 1.779 10 10 BDCELO [NH3+]C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000072201013 384814100 /nfs/dbraw/zinc/81/41/00/384814100.db2.gz AGASTWJGTZPJBY-SSDOTTSWSA-N 1 2 221.087 1.658 10 10 BDCELO NC[C@H]([NH3+])c1cccc(Br)c1O ZINC000072201260 384815271 /nfs/dbraw/zinc/81/52/71/384815271.db2.gz YFUABXYDRYMKCG-ZETCQYMHSA-N 1 2 231.093 1.113 10 10 BDCELO [NH3+][C@H](CC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000575437775 387111166 /nfs/dbraw/zinc/11/11/66/387111166.db2.gz UBZCCNZFASVFMK-SSDOTTSWSA-N 1 2 232.186 1.955 10 10 BDCELO C[C@@H]1CN(c2ccc([NH3+])cc2)[C@H](C)CO1 ZINC000035783765 132339763 /nfs/dbraw/zinc/33/97/63/132339763.db2.gz HNTGDHIINTWFDB-NXEZZACHSA-N 1 2 206.289 1.882 10 10 BDCELO CCOC(=O)C[NH2+]Cc1cc(OC)ccc1O ZINC000037563728 170225214 /nfs/dbraw/zinc/22/52/14/170225214.db2.gz ALTFONPTUYPMCQ-UHFFFAOYSA-N 1 2 239.271 1.054 10 10 BDCELO CCn1cc(COc2ccc[nH+]c2N)cn1 ZINC000050530867 172177212 /nfs/dbraw/zinc/17/72/12/172177212.db2.gz HVCHJTWTXNAYSC-UHFFFAOYSA-N 1 2 218.260 1.459 10 10 BDCELO C[C@@H]1CCC[N@@H+]1CC(=O)c1ccc(O)c(O)c1 ZINC000037911678 176109280 /nfs/dbraw/zinc/10/92/80/176109280.db2.gz YCEKAUVNNOOAEU-SECBINFHSA-N 1 2 235.283 1.765 10 10 BDCELO C[C@@H]1CCC[N@H+]1CC(=O)c1ccc(O)c(O)c1 ZINC000037911678 176109282 /nfs/dbraw/zinc/10/92/82/176109282.db2.gz YCEKAUVNNOOAEU-SECBINFHSA-N 1 2 235.283 1.765 10 10 BDCELO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000380001818 712651715 /nfs/dbraw/zinc/65/17/15/712651715.db2.gz NGWVDZONHJMZDO-WCBMZHEXSA-N 1 2 227.691 1.516 10 10 BDCELO [NH3+][C@@H](CF)c1cc([N+](=O)[O-])ccc1O ZINC000238573285 361155767 /nfs/dbraw/zinc/15/57/67/361155767.db2.gz YHMBEVOPLNKELB-ZETCQYMHSA-N 1 2 200.169 1.270 10 10 BDCELO CCOC(=O)C[NH2+]Cc1ccccc1O ZINC000005855587 170225480 /nfs/dbraw/zinc/22/54/80/170225480.db2.gz GOHVFLROCZFZMF-UHFFFAOYSA-N 1 2 209.245 1.045 10 10 BDCELO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000379915552 712626500 /nfs/dbraw/zinc/62/65/00/712626500.db2.gz BUXFOMUKEGMLJS-HTQZYQBOSA-N 1 2 229.707 1.905 10 10 BDCELO Nc1ccc([N@@H+]2CC[C@H](O)[C@H](CCF)C2)cc1 ZINC000409425353 343819275 /nfs/dbraw/zinc/81/92/75/343819275.db2.gz AJLIYYXIJJINKF-MFKMUULPSA-N 1 2 238.306 1.816 10 10 BDCELO Nc1ccc([N@H+]2CC[C@H](O)[C@H](CCF)C2)cc1 ZINC000409425353 343819276 /nfs/dbraw/zinc/81/92/76/343819276.db2.gz AJLIYYXIJJINKF-MFKMUULPSA-N 1 2 238.306 1.816 10 10 BDCELO COC[C@@H]1CC[N@@H+](c2ccc(N)cc2)C1 ZINC000081040948 345900683 /nfs/dbraw/zinc/90/06/83/345900683.db2.gz BJLWLLZLQIWKOI-SNVBAGLBSA-N 1 2 206.289 1.742 10 10 BDCELO COC[C@@H]1CC[N@H+](c2ccc(N)cc2)C1 ZINC000081040948 345900685 /nfs/dbraw/zinc/90/06/85/345900685.db2.gz BJLWLLZLQIWKOI-SNVBAGLBSA-N 1 2 206.289 1.742 10 10 BDCELO CCOC(=O)C([N+]#N)c1csc(C)n1 ZINC000584603661 358262305 /nfs/dbraw/zinc/26/23/05/358262305.db2.gz MCUFJQNCAGHLFG-UHFFFAOYSA-N 1 2 211.246 1.034 10 10 BDCELO CN(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000160235192 387071606 /nfs/dbraw/zinc/07/16/06/387071606.db2.gz KTYFXCKOGUAVIH-LLVKDONJSA-N 1 2 238.306 1.667 10 10 BDCELO CN(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000160235192 387071609 /nfs/dbraw/zinc/07/16/09/387071609.db2.gz KTYFXCKOGUAVIH-LLVKDONJSA-N 1 2 238.306 1.667 10 10 BDCELO CCOC(=O)[C@@H]([NH2+]C)c1ccccc1O ZINC000076186995 170254514 /nfs/dbraw/zinc/25/45/14/170254514.db2.gz CYLJDJOLOGYTDA-JTQLQIEISA-N 1 2 209.245 1.216 10 10 BDCELO Oc1c(Cl)cccc1C[NH2+]CC1CC(O)C1 ZINC000165169641 326419672 /nfs/dbraw/zinc/41/96/72/326419672.db2.gz IRDBTOMZYFPJIR-UHFFFAOYSA-N 1 2 241.718 1.906 10 10 BDCELO Oc1c(F)cccc1C[NH2+]Cc1ccon1 ZINC000165173434 633087429 /nfs/dbraw/zinc/08/74/29/633087429.db2.gz WLGSGQAYWCGCEH-UHFFFAOYSA-N 1 2 222.219 1.809 10 10 BDCELO Nc1ccc([NH+]2C[C@@H]3COC[C@H]3C2)cc1 ZINC000409425185 343818712 /nfs/dbraw/zinc/81/87/12/343818712.db2.gz FJTXFYGNLHCKNJ-NXEZZACHSA-N 1 2 204.273 1.351 10 10 BDCELO COc1ccc2c(c1)OCCN2Cc1c[nH+]c[nH]1 ZINC000584626246 387504095 /nfs/dbraw/zinc/50/40/95/387504095.db2.gz FWJJVNJZQISWRY-UHFFFAOYSA-N 1 2 245.282 1.817 10 10 BDCELO COc1ccc2c(c1)OCCN2Cc1c[nH]c[nH+]1 ZINC000584626246 387504098 /nfs/dbraw/zinc/50/40/98/387504098.db2.gz FWJJVNJZQISWRY-UHFFFAOYSA-N 1 2 245.282 1.817 10 10 BDCELO CC1(C)CN(c2ccc([NH3+])cc2)CCO1 ZINC000036232019 132341079 /nfs/dbraw/zinc/34/10/79/132341079.db2.gz HMKMRQDSTJZHER-UHFFFAOYSA-N 1 2 206.289 1.884 10 10 BDCELO Nc1ccc([NH+]2CCC3(CC2)OCCO3)cc1 ZINC000062153022 132387380 /nfs/dbraw/zinc/38/73/80/132387380.db2.gz WAEJORAVOVDHMH-UHFFFAOYSA-N 1 2 234.299 1.612 10 10 BDCELO CCOC(=O)C[NH2+]Cc1cccc(C)c1O ZINC000083352592 170225705 /nfs/dbraw/zinc/22/57/05/170225705.db2.gz OJWYUZWDQFJOAF-UHFFFAOYSA-N 1 2 223.272 1.353 10 10 BDCELO CCOC(=O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000037563779 170226192 /nfs/dbraw/zinc/22/61/92/170226192.db2.gz OGTAFMZNZQHLOE-SNVBAGLBSA-N 1 2 237.299 1.914 10 10 BDCELO C[C@@H]1CN(c2ccc([NH3+])cc2)CCCO1 ZINC000061916732 176318944 /nfs/dbraw/zinc/31/89/44/176318944.db2.gz WUYWASADPPCJHB-SNVBAGLBSA-N 1 2 206.289 1.884 10 10 BDCELO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309517521 632435712 /nfs/dbraw/zinc/43/57/12/632435712.db2.gz AIYQZEOOFYLJGN-OIBJUYFYSA-N 1 2 245.681 1.655 10 10 BDCELO C[C@H](O)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708505657 712212029 /nfs/dbraw/zinc/21/20/29/712212029.db2.gz YUNIDKMUHHOEBJ-BQBZGAKWSA-N 1 2 231.242 1.529 10 10 BDCELO O=C(C[NH+]1CCCCC1)c1ccc(O)c(O)c1 ZINC000033639811 343258371 /nfs/dbraw/zinc/25/83/71/343258371.db2.gz OGBFXNKNAJHTID-UHFFFAOYSA-N 1 2 235.283 1.766 10 10 BDCELO CNc1cc(Nc2ccc(N)cc2)[nH+]cn1 ZINC000258713511 345782964 /nfs/dbraw/zinc/78/29/64/345782964.db2.gz SSZTWJDKXLHAIM-UHFFFAOYSA-N 1 2 215.260 1.844 10 10 BDCELO [NH3+][C@@H](CF)c1c(O)cc(F)c(F)c1F ZINC000306728155 350898682 /nfs/dbraw/zinc/89/86/82/350898682.db2.gz BKGMVTYGJOIMDE-BYPYZUCNSA-N 1 2 209.142 1.779 10 10 BDCELO CC1(C)COCCN1c1ccc([NH3+])cc1 ZINC000042461645 132352301 /nfs/dbraw/zinc/35/23/01/132352301.db2.gz VHDJRVKUKYXSEB-UHFFFAOYSA-N 1 2 206.289 1.884 10 10 BDCELO CC[C@H]([NH2+]Cc1nnc[nH]1)c1ccccc1O ZINC000037919206 171533553 /nfs/dbraw/zinc/53/35/53/171533553.db2.gz IBLFWLMORYIBNC-JTQLQIEISA-N 1 2 232.287 1.751 10 10 BDCELO C[N@@H+]1CCc2cc(O)c(O)c3c2[C@H]1CC3=O ZINC000039098077 173172767 /nfs/dbraw/zinc/17/27/67/173172767.db2.gz QJZXVGUIICOKKV-SSDOTTSWSA-N 1 2 219.240 1.213 10 10 BDCELO C[N@H+]1CCc2cc(O)c(O)c3c2[C@H]1CC3=O ZINC000039098077 173172769 /nfs/dbraw/zinc/17/27/69/173172769.db2.gz QJZXVGUIICOKKV-SSDOTTSWSA-N 1 2 219.240 1.213 10 10 BDCELO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708505659 712211845 /nfs/dbraw/zinc/21/18/45/712211845.db2.gz YUNIDKMUHHOEBJ-NKWVEPMBSA-N 1 2 231.242 1.529 10 10 BDCELO COC[C@@H]1C[N@@H+](c2ccc(N)cc2)C[C@@H]1C ZINC000409433593 343829155 /nfs/dbraw/zinc/82/91/55/343829155.db2.gz YOKRXZNNSLJWBG-QWRGUYRKSA-N 1 2 220.316 1.988 10 10 BDCELO COC[C@@H]1C[N@H+](c2ccc(N)cc2)C[C@@H]1C ZINC000409433593 343829157 /nfs/dbraw/zinc/82/91/57/343829157.db2.gz YOKRXZNNSLJWBG-QWRGUYRKSA-N 1 2 220.316 1.988 10 10 BDCELO C[C@@H]1C[N@@H+](c2ccc(N)cc2)C[C@H]1CO ZINC000409433735 343830381 /nfs/dbraw/zinc/83/03/81/343830381.db2.gz ZBTSKTOTORIABK-ZJUUUORDSA-N 1 2 206.289 1.333 10 10 BDCELO C[C@@H]1C[N@H+](c2ccc(N)cc2)C[C@H]1CO ZINC000409433735 343830384 /nfs/dbraw/zinc/83/03/84/343830384.db2.gz ZBTSKTOTORIABK-ZJUUUORDSA-N 1 2 206.289 1.333 10 10 BDCELO COC[C@H]1CC[N@@H+](c2ccc(N)cc2)C1 ZINC000081040949 345900617 /nfs/dbraw/zinc/90/06/17/345900617.db2.gz BJLWLLZLQIWKOI-JTQLQIEISA-N 1 2 206.289 1.742 10 10 BDCELO COC[C@H]1CC[N@H+](c2ccc(N)cc2)C1 ZINC000081040949 345900619 /nfs/dbraw/zinc/90/06/19/345900619.db2.gz BJLWLLZLQIWKOI-JTQLQIEISA-N 1 2 206.289 1.742 10 10 BDCELO C[C@@H](c1cc(F)ccc1O)[NH+]1CCOCC1 ZINC000132448524 371825057 /nfs/dbraw/zinc/82/50/57/371825057.db2.gz GMDLFOHNCUKRQI-VIFPVBQESA-N 1 2 225.263 1.925 10 10 BDCELO Oc1ccc(C[NH2+]Cc2nccs2)cc1O ZINC000040444010 183270929 /nfs/dbraw/zinc/27/09/29/183270929.db2.gz YVNFOHHRWNFDEE-UHFFFAOYSA-N 1 2 236.296 1.844 10 10 BDCELO [NH3+][C@H](CO)c1cc(Cl)cc(F)c1O ZINC000072198008 384809842 /nfs/dbraw/zinc/80/98/42/384809842.db2.gz QSJVBLLVTJIPLX-SSDOTTSWSA-N 1 2 205.616 1.177 10 10 BDCELO [NH3+][C@H](CCF)c1cc([N+](=O)[O-])ccc1O ZINC000575439061 387122305 /nfs/dbraw/zinc/12/23/05/387122305.db2.gz RHPGEMGJYSMJCM-MRVPVSSYSA-N 1 2 214.196 1.660 10 10 BDCELO CCOC(=O)[C@H]([NH2+]C)c1ccccc1O ZINC000076186994 170277635 /nfs/dbraw/zinc/27/76/35/170277635.db2.gz CYLJDJOLOGYTDA-SNVBAGLBSA-N 1 2 209.245 1.216 10 10 BDCELO C[N@@H+]1CCO[C@@H](c2ccc(O)c(O)c2)C1 ZINC000039096926 173103149 /nfs/dbraw/zinc/10/31/49/173103149.db2.gz IOWVGBMUHBTJHU-LLVKDONJSA-N 1 2 209.245 1.101 10 10 BDCELO C[N@H+]1CCO[C@@H](c2ccc(O)c(O)c2)C1 ZINC000039096926 173103150 /nfs/dbraw/zinc/10/31/50/173103150.db2.gz IOWVGBMUHBTJHU-LLVKDONJSA-N 1 2 209.245 1.101 10 10 BDCELO C[NH2+]Cc1cccc(Br)c1O ZINC000042303347 343434018 /nfs/dbraw/zinc/43/40/18/343434018.db2.gz MMNVLVQNACCDJS-UHFFFAOYSA-N 1 2 216.078 1.874 10 10 BDCELO C[C@H](O)[C@H]1CCCN1c1ccc([NH3+])cc1 ZINC000409426776 343798875 /nfs/dbraw/zinc/79/88/75/343798875.db2.gz IRHNDIUKANLSKC-JOYOIKCWSA-N 1 2 206.289 1.618 10 10 BDCELO NC(=O)c1ccc(Nc2ccc(N)c[nH+]2)cc1 ZINC000019951055 181301509 /nfs/dbraw/zinc/30/15/09/181301509.db2.gz RXFAFKZBQHFSHC-UHFFFAOYSA-N 1 2 228.255 1.506 10 10 BDCELO O=C(Cn1cc[nH+]c1)c1ccc(O)c(O)c1 ZINC000013209838 182071024 /nfs/dbraw/zinc/07/10/24/182071024.db2.gz JHQYDDFNYJJOIA-UHFFFAOYSA-N 1 2 218.212 1.177 10 10 BDCELO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc[nH]1 ZINC000037919342 183273355 /nfs/dbraw/zinc/27/33/55/183273355.db2.gz GDNRIIHLUKENFE-UHFFFAOYSA-N 1 2 238.678 1.454 10 10 BDCELO [NH3+]c1ccc(N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000085539991 384955187 /nfs/dbraw/zinc/95/51/87/384955187.db2.gz WSQUKDPLTHJLPN-TXEJJXNPSA-N 1 2 204.273 1.636 10 10 BDCELO [NH3+]c1ccc(N2CCCC[C@H]2CO)cc1 ZINC000058641175 132368428 /nfs/dbraw/zinc/36/84/28/132368428.db2.gz VVLRASGCTQMFFU-LBPRGKRZSA-N 1 2 206.289 1.620 10 10 BDCELO Cc1cc([N+](=O)[O-])c(O)c2c1CC[C@H]2[NH3+] ZINC000026149187 178270531 /nfs/dbraw/zinc/27/05/31/178270531.db2.gz BRRXRDSIYDOCFA-SSDOTTSWSA-N 1 2 208.217 1.555 10 10 BDCELO Nc1ccc([N@H+]2C[C@H]3C[C@@H](C2)C3O)cc1 ZINC000409423685 343815865 /nfs/dbraw/zinc/81/58/65/343815865.db2.gz AGZOPAWJIPSBRZ-USUYBEQLSA-N 1 2 204.273 1.086 10 10 BDCELO Nc1ccc([N@@H+]2C[C@H]3C[C@@H](C2)C3O)cc1 ZINC000409423685 343815866 /nfs/dbraw/zinc/81/58/66/343815866.db2.gz AGZOPAWJIPSBRZ-USUYBEQLSA-N 1 2 204.273 1.086 10 10 BDCELO COC[C@H]1C[N@@H+](c2ccc(N)cc2)C[C@@H]1C ZINC000409433594 343829202 /nfs/dbraw/zinc/82/92/02/343829202.db2.gz YOKRXZNNSLJWBG-WDEREUQCSA-N 1 2 220.316 1.988 10 10 BDCELO COC[C@H]1C[N@H+](c2ccc(N)cc2)C[C@@H]1C ZINC000409433594 343829204 /nfs/dbraw/zinc/82/92/04/343829204.db2.gz YOKRXZNNSLJWBG-WDEREUQCSA-N 1 2 220.316 1.988 10 10 BDCELO Oc1cc(F)c(F)c(F)c1[C@H]1CC[NH2+]1 ZINC000238696691 345112390 /nfs/dbraw/zinc/11/23/90/345112390.db2.gz AJXZVIRRMDMKGN-RXMQYKEDSA-N 1 2 203.163 1.844 10 10 BDCELO Nc1[nH+]cccc1OCc1cncs1 ZINC000159615547 350952505 /nfs/dbraw/zinc/95/25/05/350952505.db2.gz RFMFXSPONNKCGA-UHFFFAOYSA-N 1 2 207.258 1.699 10 10 BDCELO [NH3+]C[C@@H]([NH3+])c1c([O-])c(Cl)ccc1F ZINC000072200657 384815545 /nfs/dbraw/zinc/81/55/45/384815545.db2.gz CEULYKRLMGFITM-ZCFIWIBFSA-N 1 2 204.632 1.143 10 10 BDCELO [NH3+]C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000072201014 384814446 /nfs/dbraw/zinc/81/44/46/384814446.db2.gz AGASTWJGTZPJBY-ZETCQYMHSA-N 1 2 221.087 1.658 10 10 BDCELO C[C@H]1C[N@@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000253203832 345622623 /nfs/dbraw/zinc/62/26/23/345622623.db2.gz VLDZSYJUOOYEJH-JOYOIKCWSA-N 1 2 206.289 1.476 10 10 BDCELO C[C@H]1C[N@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000253203832 345622625 /nfs/dbraw/zinc/62/26/25/345622625.db2.gz VLDZSYJUOOYEJH-JOYOIKCWSA-N 1 2 206.289 1.476 10 10 BDCELO C[C@@H]1C[N@@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000253203831 345622759 /nfs/dbraw/zinc/62/27/59/345622759.db2.gz VLDZSYJUOOYEJH-BXKDBHETSA-N 1 2 206.289 1.476 10 10 BDCELO C[C@@H]1C[N@H+](c2ccc(N)cc2)CC[C@H]1O ZINC000253203831 345622762 /nfs/dbraw/zinc/62/27/62/345622762.db2.gz VLDZSYJUOOYEJH-BXKDBHETSA-N 1 2 206.289 1.476 10 10 BDCELO [NH3+][C@H](CF)c1cc([N+](=O)[O-])ccc1O ZINC000238684353 361178880 /nfs/dbraw/zinc/17/88/80/361178880.db2.gz YHMBEVOPLNKELB-SSDOTTSWSA-N 1 2 200.169 1.270 10 10 BDCELO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708505661 712212051 /nfs/dbraw/zinc/21/20/51/712212051.db2.gz YUNIDKMUHHOEBJ-RNFRBKRXSA-N 1 2 231.242 1.529 10 10 BDCELO CO[C@H]1CN(c2ccc([NH3+])cc2)C[C@@H]1OC ZINC000234858150 343794683 /nfs/dbraw/zinc/79/46/83/343794683.db2.gz UQPBKPAXHRNTNW-RYUDHWBXSA-N 1 2 222.288 1.119 10 10 BDCELO C[C@@H](O)[C@H]1CCCN1c1ccc([NH3+])cc1 ZINC000409426772 343799046 /nfs/dbraw/zinc/79/90/46/343799046.db2.gz IRHNDIUKANLSKC-BXKDBHETSA-N 1 2 206.289 1.618 10 10 BDCELO CCNc1cc[nH+]c(Nc2ccc(N)cc2)n1 ZINC000409425782 343820280 /nfs/dbraw/zinc/82/02/80/343820280.db2.gz BKMGBWFBAGJUFT-UHFFFAOYSA-N 1 2 229.287 1.656 10 10 BDCELO C[C@@H]1C[N@@H+](c2ccc(N)cc2)C[C@@H]1CO ZINC000409433728 343829833 /nfs/dbraw/zinc/82/98/33/343829833.db2.gz ZBTSKTOTORIABK-NXEZZACHSA-N 1 2 206.289 1.333 10 10 BDCELO C[C@@H]1C[N@H+](c2ccc(N)cc2)C[C@@H]1CO ZINC000409433728 343829835 /nfs/dbraw/zinc/82/98/35/343829835.db2.gz ZBTSKTOTORIABK-NXEZZACHSA-N 1 2 206.289 1.333 10 10 BDCELO [NH3+][C@@H](CCO)c1cc(F)cc(Cl)c1O ZINC000044236088 344987171 /nfs/dbraw/zinc/98/71/71/344987171.db2.gz KGUSQDRTDACXIU-QMMMGPOBSA-N 1 2 219.643 1.567 10 10 BDCELO Cc1nc(NCc2ccc(N)cc2)cc[nH+]1 ZINC000054936917 180200880 /nfs/dbraw/zinc/20/08/80/180200880.db2.gz NKDQGMDMKAVSLP-UHFFFAOYSA-N 1 2 214.272 1.979 10 10 BDCELO CCCOc1cc(N2CC[C@@H](O)C2)ccc1[NH3+] ZINC000104241581 169315854 /nfs/dbraw/zinc/31/58/54/169315854.db2.gz RCGTZBGBFAKXHY-LLVKDONJSA-N 1 2 236.315 1.629 10 10 BDCELO CNc1cc[nH+]c(Nc2ccc(N)cc2)n1 ZINC000409427043 343800125 /nfs/dbraw/zinc/80/01/25/343800125.db2.gz HHZBMZLMSGCLHF-UHFFFAOYSA-N 1 2 215.260 1.266 10 10 BDCELO COC[C@@H]1C[N@@H+](c2ccc(N)cc2)C[C@H]1C ZINC000409433592 343829021 /nfs/dbraw/zinc/82/90/21/343829021.db2.gz YOKRXZNNSLJWBG-MNOVXSKESA-N 1 2 220.316 1.988 10 10 BDCELO COC[C@@H]1C[N@H+](c2ccc(N)cc2)C[C@H]1C ZINC000409433592 343829023 /nfs/dbraw/zinc/82/90/23/343829023.db2.gz YOKRXZNNSLJWBG-MNOVXSKESA-N 1 2 220.316 1.988 10 10 BDCELO COC[C@H]1C[N@@H+](c2ccc(N)cc2)C[C@H]1C ZINC000409433591 343829097 /nfs/dbraw/zinc/82/90/97/343829097.db2.gz YOKRXZNNSLJWBG-GHMZBOCLSA-N 1 2 220.316 1.988 10 10 BDCELO COC[C@H]1C[N@H+](c2ccc(N)cc2)C[C@H]1C ZINC000409433591 343829098 /nfs/dbraw/zinc/82/90/98/343829098.db2.gz YOKRXZNNSLJWBG-GHMZBOCLSA-N 1 2 220.316 1.988 10 10 BDCELO C[C@H]1C[N@@H+](c2ccc(N)cc2)C[C@@H]1CO ZINC000409433733 343829634 /nfs/dbraw/zinc/82/96/34/343829634.db2.gz ZBTSKTOTORIABK-VHSXEESVSA-N 1 2 206.289 1.333 10 10 BDCELO C[C@H]1C[N@H+](c2ccc(N)cc2)C[C@@H]1CO ZINC000409433733 343829636 /nfs/dbraw/zinc/82/96/36/343829636.db2.gz ZBTSKTOTORIABK-VHSXEESVSA-N 1 2 206.289 1.333 10 10 BDCELO NC(=O)c1cccc(COc2ccc[nH+]c2N)c1 ZINC000020483554 181303854 /nfs/dbraw/zinc/30/38/54/181303854.db2.gz VXJWIHZOIROWOS-UHFFFAOYSA-N 1 2 243.266 1.342 10 10 BDCELO Oc1ccc([C@H](O)Cn2cc[nH+]c2)cc1O ZINC000027841975 183278940 /nfs/dbraw/zinc/27/89/40/183278940.db2.gz NUVHOIBRHPUYQL-LLVKDONJSA-N 1 2 220.228 1.028 10 10 BDCELO [NH3+][C@H](CO)c1cc(Cl)cc(Cl)c1O ZINC000072198421 384816615 /nfs/dbraw/zinc/81/66/15/384816615.db2.gz QATPGZFFQRAUKZ-SSDOTTSWSA-N 1 2 222.071 1.691 10 10 BDCELO [NH3+][C@@H](CO)c1cc(Cl)cc(Cl)c1O ZINC000072198422 384816910 /nfs/dbraw/zinc/81/69/10/384816910.db2.gz QATPGZFFQRAUKZ-ZETCQYMHSA-N 1 2 222.071 1.691 10 10 BDCELO Oc1c(Cl)cccc1C[NH2+]C1COC1 ZINC000159153541 348865174 /nfs/dbraw/zinc/86/51/74/348865174.db2.gz GGYJABROOPABDI-UHFFFAOYSA-N 1 2 213.664 1.534 10 10 BDCELO [NH3+]Cc1c(O)cc(Br)cc1F ZINC000306931011 351357097 /nfs/dbraw/zinc/35/70/97/351357097.db2.gz CFZMFUUACWDFQV-UHFFFAOYSA-N 1 2 220.041 1.753 10 10 BDCELO CCNC(=O)[C@@H](C)Nc1ccc([NH3+])cc1 ZINC000049193425 170089390 /nfs/dbraw/zinc/08/93/90/170089390.db2.gz GKBOUYVSKBWACL-MRVPVSSYSA-N 1 2 207.277 1.205 10 10 BDCELO CN(C)C(=O)CC[N@H+](C)c1ccc(N)cc1 ZINC000037898083 172357336 /nfs/dbraw/zinc/35/73/36/172357336.db2.gz XEOSTDDCXHEBCJ-UHFFFAOYSA-N 1 2 221.304 1.183 10 10 BDCELO CN(C)C(=O)CC[N@@H+](C)c1ccc(N)cc1 ZINC000037898083 172357338 /nfs/dbraw/zinc/35/73/38/172357338.db2.gz XEOSTDDCXHEBCJ-UHFFFAOYSA-N 1 2 221.304 1.183 10 10 BDCELO CO[C@@H]1CN(c2ccc([NH3+])cc2)C[C@@H]1OC ZINC000234987238 343794911 /nfs/dbraw/zinc/79/49/11/343794911.db2.gz UQPBKPAXHRNTNW-TXEJJXNPSA-N 1 2 222.288 1.119 10 10 BDCELO CC[C@H]1C[N@@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000409436078 343836739 /nfs/dbraw/zinc/83/67/39/343836739.db2.gz XYLFIKIJRGJELC-GWCFXTLKSA-N 1 2 220.316 1.866 10 10 BDCELO CC[C@H]1C[N@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000409436078 343836740 /nfs/dbraw/zinc/83/67/40/343836740.db2.gz XYLFIKIJRGJELC-GWCFXTLKSA-N 1 2 220.316 1.866 10 10 BDCELO [NH3+][C@@H](CO)c1c(O)c(Cl)ccc1F ZINC000072198011 384810295 /nfs/dbraw/zinc/81/02/95/384810295.db2.gz FXLGOXMRJDJZOP-LURJTMIESA-N 1 2 205.616 1.177 10 10 BDCELO CCOC(=O)[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000049368563 170268541 /nfs/dbraw/zinc/26/85/41/170268541.db2.gz OZFLYJRAFCGREE-QMMMGPOBSA-N 1 2 239.271 1.139 10 10 BDCELO C[N@@H+]1CCc2cc(O)c(O)c3c2[C@@H]1CC3=O ZINC000039098075 173172537 /nfs/dbraw/zinc/17/25/37/173172537.db2.gz QJZXVGUIICOKKV-ZETCQYMHSA-N 1 2 219.240 1.213 10 10 BDCELO C[N@H+]1CCc2cc(O)c(O)c3c2[C@@H]1CC3=O ZINC000039098075 173172538 /nfs/dbraw/zinc/17/25/38/173172538.db2.gz QJZXVGUIICOKKV-ZETCQYMHSA-N 1 2 219.240 1.213 10 10 BDCELO Oc1c(F)cccc1C[NH2+]Cc1cc[nH]n1 ZINC000165155946 640539122 /nfs/dbraw/zinc/53/91/22/640539122.db2.gz OWXRXASNYJHISX-UHFFFAOYSA-N 1 2 221.235 1.544 10 10 BDCELO C[C@H](O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000379915564 712626458 /nfs/dbraw/zinc/62/64/58/712626458.db2.gz BUXFOMUKEGMLJS-YUMQZZPRSA-N 1 2 229.707 1.905 10 10 BDCELO Nc1ccc([N@@H+]2C[C@H]3CCC[C@]3(CO)C2)cc1 ZINC000409432340 343826049 /nfs/dbraw/zinc/82/60/49/343826049.db2.gz LDJJQSPCVCVCAF-BXUZGUMPSA-N 1 2 232.327 1.868 10 10 BDCELO Nc1ccc([N@H+]2C[C@H]3CCC[C@]3(CO)C2)cc1 ZINC000409432340 343826050 /nfs/dbraw/zinc/82/60/50/343826050.db2.gz LDJJQSPCVCVCAF-BXUZGUMPSA-N 1 2 232.327 1.868 10 10 BDCELO O=[N+]([O-])c1cc([C@H]2CCC[NH2+]2)cc(O)c1O ZINC000309378486 344163108 /nfs/dbraw/zinc/16/31/08/344163108.db2.gz IXBFXEIYSSCBMK-SSDOTTSWSA-N 1 2 224.216 1.431 10 10 BDCELO Oc1ccc(C[NH2+]Cc2cc[nH]n2)cc1O ZINC000041013971 183270583 /nfs/dbraw/zinc/27/05/83/183270583.db2.gz KZUBDAGIIYFADC-UHFFFAOYSA-N 1 2 219.244 1.111 10 10 BDCELO [NH3+][C@@H](CO)c1cc(Cl)cc(F)c1O ZINC000072198009 384812620 /nfs/dbraw/zinc/81/26/20/384812620.db2.gz QSJVBLLVTJIPLX-ZETCQYMHSA-N 1 2 205.616 1.177 10 10 BDCELO [NH3+][C@@H](CC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000575439668 387126327 /nfs/dbraw/zinc/12/63/27/387126327.db2.gz UBZCCNZFASVFMK-ZETCQYMHSA-N 1 2 232.186 1.955 10 10 BDCELO CCOC(=O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000037472488 170225501 /nfs/dbraw/zinc/22/55/01/170225501.db2.gz KNEKGZCEGGIFHH-UHFFFAOYSA-N 1 2 243.690 1.698 10 10 BDCELO CCOC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000037563778 170226639 /nfs/dbraw/zinc/22/66/39/170226639.db2.gz OGTAFMZNZQHLOE-JTQLQIEISA-N 1 2 237.299 1.914 10 10 BDCELO C[C@H]1C[N@@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000126768281 343786647 /nfs/dbraw/zinc/78/66/47/343786647.db2.gz VLDZSYJUOOYEJH-CABZTGNLSA-N 1 2 206.289 1.476 10 10 BDCELO C[C@H]1C[N@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000126768281 343786649 /nfs/dbraw/zinc/78/66/49/343786649.db2.gz VLDZSYJUOOYEJH-CABZTGNLSA-N 1 2 206.289 1.476 10 10 BDCELO Oc1cc(F)c(F)c(F)c1[C@@H]1CC[NH2+]1 ZINC000238696652 345112373 /nfs/dbraw/zinc/11/23/73/345112373.db2.gz AJXZVIRRMDMKGN-YFKPBYRVSA-N 1 2 203.163 1.844 10 10 BDCELO C[C@H]1C[N@@H+](c2ccc(N)cc2)C[C@H]1CO ZINC000409433731 350472398 /nfs/dbraw/zinc/47/23/98/350472398.db2.gz ZBTSKTOTORIABK-UWVGGRQHSA-N 1 2 206.289 1.333 10 10 BDCELO C[C@H]1C[N@H+](c2ccc(N)cc2)C[C@H]1CO ZINC000409433731 350472404 /nfs/dbraw/zinc/47/24/04/350472404.db2.gz ZBTSKTOTORIABK-UWVGGRQHSA-N 1 2 206.289 1.333 10 10 BDCELO COC(=O)C1=Cc2ccccc2C(=O)C1[N+]#N ZINC000584606645 358265774 /nfs/dbraw/zinc/26/57/74/358265774.db2.gz QAPNFLCQWCBGND-UHFFFAOYSA-N 1 2 228.207 1.110 10 10 BDCELO COCOC1CC[NH+](c2ccc(N)cc2)CC1 ZINC000230455391 368405170 /nfs/dbraw/zinc/40/51/70/368405170.db2.gz UTDDXTYUMAAZFW-UHFFFAOYSA-N 1 2 236.315 1.858 10 10 BDCELO CC[NH2+]Cc1c(O)ccc2ccc(=O)oc21 ZINC000013674217 170123950 /nfs/dbraw/zinc/12/39/50/170123950.db2.gz DEYBCBPIDXVMCP-UHFFFAOYSA-N 1 2 219.240 1.608 10 10 BDCELO C[C@@H]1C[N@@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000126768055 343786635 /nfs/dbraw/zinc/78/66/35/343786635.db2.gz VLDZSYJUOOYEJH-SKDRFNHKSA-N 1 2 206.289 1.476 10 10 BDCELO C[C@@H]1C[N@H+](c2ccc(N)cc2)CC[C@@H]1O ZINC000126768055 343786637 /nfs/dbraw/zinc/78/66/37/343786637.db2.gz VLDZSYJUOOYEJH-SKDRFNHKSA-N 1 2 206.289 1.476 10 10 BDCELO Nc1ccc([N@@H+]2CC[C@@H](O)[C@H](CCF)C2)cc1 ZINC000409425354 343819193 /nfs/dbraw/zinc/81/91/93/343819193.db2.gz AJLIYYXIJJINKF-ZWNOBZJWSA-N 1 2 238.306 1.816 10 10 BDCELO Nc1ccc([N@H+]2CC[C@@H](O)[C@H](CCF)C2)cc1 ZINC000409425354 343819195 /nfs/dbraw/zinc/81/91/95/343819195.db2.gz AJLIYYXIJJINKF-ZWNOBZJWSA-N 1 2 238.306 1.816 10 10 BDCELO [NH3+][C@H](CCO)c1cc(F)cc(Cl)c1O ZINC000044236085 344987281 /nfs/dbraw/zinc/98/72/81/344987281.db2.gz KGUSQDRTDACXIU-MRVPVSSYSA-N 1 2 219.643 1.567 10 10 BDCELO CCCN(CC(=O)N(C)C)c1ccc([NH3+])cc1 ZINC000042421033 169093600 /nfs/dbraw/zinc/09/36/00/169093600.db2.gz LCTMRJVGUYRJRS-UHFFFAOYSA-N 1 2 235.331 1.573 10 10 BDCELO [NH3+]C[C@H]([NH3+])c1c([O-])c(Cl)ccc1F ZINC000072200658 385324941 /nfs/dbraw/zinc/32/49/41/385324941.db2.gz CEULYKRLMGFITM-LURJTMIESA-N 1 2 204.632 1.143 10 10 BDCELO CCNC(=O)[C@H](C)Nc1ccc([NH3+])cc1 ZINC000049193428 170096740 /nfs/dbraw/zinc/09/67/40/170096740.db2.gz GKBOUYVSKBWACL-QMMMGPOBSA-N 1 2 207.277 1.205 10 10 BDCELO CCOC(=O)C[NH2+]Cc1cc(C)ccc1O ZINC000070955230 170225775 /nfs/dbraw/zinc/22/57/75/170225775.db2.gz HSMPGEAAAPKYOZ-UHFFFAOYSA-N 1 2 223.272 1.353 10 10 BDCELO CN(C(=O)Cn1cc[nH+]c1)c1ccc(N)cc1 ZINC000037273756 172316600 /nfs/dbraw/zinc/31/66/00/172316600.db2.gz HUFPMDWGOZBQDY-UHFFFAOYSA-N 1 2 230.271 1.128 10 10 BDCELO Cn1ccc(C[NH2+]Cc2cccc(F)c2O)n1 ZINC000158832866 641653179 /nfs/dbraw/zinc/65/31/79/641653179.db2.gz VICGVXFWZHDSTH-UHFFFAOYSA-N 1 2 235.262 1.555 10 10 BDCELO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](C)O ZINC000379915562 711814013 /nfs/dbraw/zinc/81/40/13/711814013.db2.gz BUXFOMUKEGMLJS-SFYZADRCSA-N 1 2 229.707 1.905 10 10 BDCELO CCCOc1cc(N2CC[C@H](O)C2)ccc1[NH3+] ZINC000104241576 169315819 /nfs/dbraw/zinc/31/58/19/169315819.db2.gz RCGTZBGBFAKXHY-NSHDSACASA-N 1 2 236.315 1.629 10 10 BDCELO Nc1ccc([N@@H+]2C[C@@H](CO)C3(CCC3)C2)cc1 ZINC000409434833 383838943 /nfs/dbraw/zinc/83/89/43/383838943.db2.gz QUJPRVLYODZQPN-NSHDSACASA-N 1 2 232.327 1.868 10 10 BDCELO Nc1ccc([N@H+]2C[C@@H](CO)C3(CCC3)C2)cc1 ZINC000409434833 383838948 /nfs/dbraw/zinc/83/89/48/383838948.db2.gz QUJPRVLYODZQPN-NSHDSACASA-N 1 2 232.327 1.868 10 10 BDCELO CC1(C)OC(=O)C(=CNc2cc[nH+]cc2)C(=O)O1 ZINC000100483682 384642898 /nfs/dbraw/zinc/64/28/98/384642898.db2.gz AGLOTESXAWEWRC-UHFFFAOYSA-N 1 2 248.238 1.214 10 10 BDCELO NC(=O)[C@@H]1CCCCN1c1ccc([NH3+])cc1 ZINC000042406019 132351149 /nfs/dbraw/zinc/35/11/49/132351149.db2.gz VCELBXFTACGVHY-NSHDSACASA-N 1 2 219.288 1.113 10 10 BDCELO CC(C)NC(=O)CC[N@H+](C)c1ccc(N)cc1 ZINC000054048585 167039394 /nfs/dbraw/zinc/03/93/94/167039394.db2.gz PPFYDRXUUZNTBS-UHFFFAOYSA-N 1 2 235.331 1.620 10 10 BDCELO CC(C)NC(=O)CC[N@@H+](C)c1ccc(N)cc1 ZINC000054048585 167039395 /nfs/dbraw/zinc/03/93/95/167039395.db2.gz PPFYDRXUUZNTBS-UHFFFAOYSA-N 1 2 235.331 1.620 10 10 BDCELO COc1ccc(O)c(C[NH2+]Cc2nc(C)no2)c1 ZINC000038034299 175159519 /nfs/dbraw/zinc/15/95/19/175159519.db2.gz DBVALWRATWTUAZ-UHFFFAOYSA-N 1 2 249.270 1.382 10 10 BDCELO COc1ccc([C@H](C)[NH2+]Cc2nnc[nH]2)c(O)c1 ZINC000037919498 175189220 /nfs/dbraw/zinc/18/92/20/175189220.db2.gz BEYFKZXAVKVLDK-QMMMGPOBSA-N 1 2 248.286 1.370 10 10 BDCELO C[C@H]1CC(c2ccc(N)cc2)=[NH+]NC1=O ZINC000027882314 177066574 /nfs/dbraw/zinc/06/65/74/177066574.db2.gz WDTDPPXBFNJALR-ZETCQYMHSA-N 1 2 203.245 1.129 10 10 BDCELO CO[C@@H]1CCCN(c2ccc([NH3+])cc2)C1 ZINC000230219980 343793655 /nfs/dbraw/zinc/79/36/55/343793655.db2.gz OXXGGOPASQGSDZ-GFCCVEGCSA-N 1 2 206.289 1.884 10 10 BDCELO CCOC(=O)C([N+]#N)c1ccccc1F ZINC000584603246 358261224 /nfs/dbraw/zinc/26/12/24/358261224.db2.gz RKLQAAKFZYHLQM-UHFFFAOYSA-N 1 2 208.192 1.408 10 10 BDCELO c1c[nH+]c([C@@H]2CNc3ccccc3N2)[nH]1 ZINC000616689402 369112727 /nfs/dbraw/zinc/11/27/27/369112727.db2.gz FRGCKZIZWGLDBS-JTQLQIEISA-N 1 2 200.245 1.988 10 10 BDCELO Oc1ccc[n+](-c2ccc(O)c(O)c2)c1 ZINC000005427830 183285918 /nfs/dbraw/zinc/28/59/18/183285918.db2.gz MCWFRKPBLNGFLG-UHFFFAOYSA-O 1 2 204.205 1.080 10 10 BDCELO [NH3+]CC[NH2+]Cc1cccc(Br)c1O ZINC000048797181 181396207 /nfs/dbraw/zinc/39/62/07/181396207.db2.gz RZKGOLLWAUYUIY-UHFFFAOYSA-N 1 2 245.120 1.203 10 10 BDCELO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000708443611 712194876 /nfs/dbraw/zinc/19/48/76/712194876.db2.gz QECLQACBJUAKBB-HQJQHLMTSA-N 1 2 243.253 1.937 10 10 BDCELO