smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=CC(O)=CC(=O)C1=N[N-]c1nccs1 ZINC000100132830 178199938 /nfs/dbraw/zinc/19/99/38/178199938.db2.gz LABKTXRFMJIJAU-SEYXRHQNSA-N -1 2 235.268 3.278 10 10 BGCELM