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-])cc1[O-] 113736216 343759685 /nfs/dbraw/zinc/75/96/85/343759685.db2.gz UAPURNYDDXMJCS-UHFFFAOYSA-N -1 3 195.218 2.598 50 5 AFBAHM