smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C([O-])=Cc1cc(C)ncc1[N+](=O)[O-] ZINC000118048144 349895819 /nfs/dbraw/zinc/89/58/19/349895819.db2.gz YUQFHVMIFMXXDW-UHFFFAOYSA-N -1 3 252.226 0.973 30 5 CCBCHM