smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000146795431 567092367 /nfs/dbraw/zinc/09/23/67/567092367.db2.gz LJQRIZHZZWBLOK-UHFFFAOYSA-N 1 0 262.356 3.621 30 30 CHECRO