smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#[N+]c1ccc(/N=N/c2ccccc2)cc1 ZINC000095705761 191140651 /nfs/dbraw/zinc/14/06/51/191140651.db2.gz NCIOYHPFZVZTGJ-FOCLMDBBSA-N 1 0 207.236 4.653 40 10 BJCBRO