smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c(Nc2ccccc2)c2ccccc2c1C ZINC000225748085 527005044 /nfs/dbraw/zinc/00/50/44/527005044.db2.gz LIHLEVUGGDXCRC-UHFFFAOYSA-N 1 1 248.329 4.595 40 0 BJABMO