smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCC(=O)N1CCCCCC1)NCc1n[nH]c(=O)[nH]1 ZINC000217136557 352232360 /nfs/dbraw/zinc/23/23/60/352232360.db2.gz BGTIZOLPTBVRCC-UHFFFAOYSA-N 0 2 295.343 -0.103 50 70 CBIALN