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+]1c2ccccc2nc2ccc(N[C@@H]3CCCC[C@H]3[NH3+])cc21 ZINC000004172227 181082079 /nfs/dbraw/zinc/08/20/79/181082079.db2.gz ZMIBXBIHMRRMMU-HUUCEWRRSA-O 2 0 307.421 2.894 1 5 DFBFRP C[n+]1c2ccccc2nc2ccc(N[C@H]3CCCC[C@@H]3[NH3+])cc21 ZINC000004172226 181081628 /nfs/dbraw/zinc/08/16/28/181081628.db2.gz ZMIBXBIHMRRMMU-GJZGRUSLSA-O 2 0 307.421 2.894 1 5 DFBFRP C[n+]1c2ccccc2nc2ccc(N[C@@H]3CCCC[C@@H]3[NH3+])cc21 ZINC000004172225 181081653 /nfs/dbraw/zinc/08/16/53/181081653.db2.gz ZMIBXBIHMRRMMU-LSDHHAIUSA-O 2 0 307.421 2.894 1 5 DFBFRP C[n+]1c2ccccc2nc2ccc(N[C@H]3CCCC[C@H]3[NH3+])cc21 ZINC000004172229 181081725 /nfs/dbraw/zinc/08/17/25/181081725.db2.gz ZMIBXBIHMRRMMU-CABCVRRESA-O 2 0 307.421 2.894 1 5 DFBFRP