smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1=CCN(CCCC(=O)[O-])CC1 389250930 951347351 /nfs/dbraw/zinc/34/73/51/951347351.db2.gz DHVLFYQNJNIZCD-UHFFFAOYSA-N -1 3 194.234 1.007 20 50 ADGDHM