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-])c1cc([O-])c([N+](=O)[O-])c([O-])c1 40448351 169356621 /nfs/dbraw/zinc/35/66/21/169356621.db2.gz XOZMTLQVNJQYLW-UHFFFAOYSA-N -3 1 199.118 0.704 40 5 ACBBML