smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000146795431 567092376 /nfs/dbraw/zinc/09/23/76/567092376.db2.gz LJQRIZHZZWBLOK-UHFFFAOYSA-N 0 1 262.356 3.621 30 30 CHECMN