smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#[N+]C1=C([O-])NC(=O)N[C@H]1O 169337942 169468574 /nfs/dbraw/zinc/46/85/74/169468574.db2.gz AYFFYASBMJTCNC-REOHCLBHSA-N 0 0 156.101 -2.185 1 10 AACFRN