smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1=CC(=NNc2cc[nH+]cc2)C=CC1=O ZINC000044076071 343491341 /nfs/dbraw/zinc/49/13/41/343491341.db2.gz BBXGFZXXADBYAD-WUKNDPDISA-N 1 1 241.294 4.155 50 10 BICAMO