smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCCCCCCC(=O)[O-] 13434148 166016320 /nfs/dbraw/zinc/01/63/20/166016320.db2.gz KHOZXYSECXUORA-UHFFFAOYSA-N -1 0 168.236 2.435 30 30 AEECRM