smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(/N=N/c2ccc(C(=O)[O-])cc2)c1 ZINC000040465142 179003372 /nfs/dbraw/zinc/00/33/72/179003372.db2.gz CQNRXKKDDJYXQN-FOCLMDBBSA-N -1 0 240.262 4.109 10 10 BICERM