smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](C)(C)CCOCCOCC[N+](C)(C)c2ccc(C)cc2)cc1 ZINC000005683813 206625511 /nfs/dbraw/zinc/62/55/11/206625511.db2.gz FRWRIJKLQKRLJM-UHFFFAOYSA-N 2 0 386.580 4.171 50 5 GIBARP