smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=NCc1ccc(C([O-])=CC(=O)C(=O)[O-])cc1 ZINC000013488689 187251338 /nfs/dbraw/zinc/25/13/38/187251338.db2.gz IOXSZYRLWBCYKV-UHFFFAOYSA-N -2 0 247.210 1.723 1 10 BDCFRL