smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NNC(=O)CCCCC(=O)[O-] 1700249 956864366 /nfs/dbraw/zinc/86/43/66/956864366.db2.gz ALEBYBVYXQTORU-UHFFFAOYSA-N -1 0 160.173 -0.379 40 50 ABGBRM