smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([O-])c(C(c2cc3c(cc2[N+](=O)[O-])OCO3)C2C(=O)N=C(C)NC2=O)c(=O)[n-]1 ZINC000016363257 568878578 /nfs/dbraw/zinc/87/85/78/568878578.db2.gz VAUCMDVLAOAUBR-UHFFFAOYSA-N -2 3 429.345 0.698 40 5 ICBBHL