smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name ClCCOc1ccccc1 1587815 1149373608 /nfs/dbraw/zinc/37/36/08/1149373608.db2.gz VQUYNUJARXBNPK-UHFFFAOYSA-N 0 0 156.612 2.304 50 50 in-vitro AEGARN CCO[Si](CC)(OCC)OCC 169746943 1399280336 /nfs/dbraw/zinc/28/03/36/1399280336.db2.gz DENFJSAFJTVPJR-UHFFFAOYSA-N 0 0 192.331 2.055 50 50 AEGARN