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([O-])c1ccc(O)c([N+](=O)[O-])n1 71255433 169358232 /nfs/dbraw/zinc/35/82/32/169358232.db2.gz FPKRZQVKJFIIIL-UHFFFAOYSA-N -1 2 184.107 0.394 40 5 ACBBLM