smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1n[nH]nc1C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] ZINC000100832930 277172210 /nfs/dbraw/zinc/17/22/10/277172210.db2.gz WRDVFRGABGFVSM-UHFFFAOYSA-N 0 1 276.121 -1.468 50 5 CABAMN