smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1nn(C)c(C(=O)OCC)c1[N+](=O)[O-] ZINC000004294138 347992493 /nfs/dbraw/zinc/99/24/93/347992493.db2.gz DQKQBGQCFAUBHF-UHFFFAOYSA-N 0 0 271.229 0.682 30 5 CCBCRN CCOC(=O)C(=O)Cc1cc(C)ncc1[N+](=O)[O-] ZINC000118048144 349895817 /nfs/dbraw/zinc/89/58/17/349895817.db2.gz YUQFHVMIFMXXDW-UHFFFAOYSA-N 0 0 252.226 0.973 30 5 CCBCRN