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)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@H]2SC1 ZINC000012652346 220016080 /nfs/dbraw/zinc/01/60/80/220016080.db2.gz YTUNICCSPPTMJY-GPXNAGAYSA-N -2 1 371.400 -1.858 50 0 in-vitro FAAAML