smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc([N+](=O)[O-])c(O)c1 19801504 166383066 /nfs/dbraw/zinc/38/30/66/166383066.db2.gz FQVUUPPMBGPBRL-UHFFFAOYSA-N 0 2 195.218 2.598 50 5 AFBALN