smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n[n-]c2c([N+](=O)[O-])c(=O)[n-]c(=O)n12 ZINC000100366418 384636622 /nfs/dbraw/zinc/63/66/22/384636622.db2.gz WXJYZGSSKDWWJT-UHFFFAOYSA-N -2 1 211.137 -1.072 40 5 BABBML