smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)C/C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=N\NC(=O)C[N+](C)(C)C ZINC000102300179 717145855 /nfs/dbraw/zinc/14/58/55/717145855.db2.gz IPWWKPABCDMUTK-GNVQSUKOSA-O 1 0 479.645 3.933 50 50 JHGARO