smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1[n-]c(=O)c2c(c1=O)c1c(=O)[n-]n(C)c(=O)c1c1c(=O)[nH]n(C)c(=O)c21 ZINC000256055642 534666450 /nfs/dbraw/zinc/66/64/50/534666450.db2.gz OHLZKOLZIYXSAF-UHFFFAOYSA-N -2 2 372.297 -2.693 40 5 FABBLL