smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409331290 1059726517 /nfs/dbraw/zinc/72/65/17/1059726517.db2.gz NUISVGQSLUXYQN-VMPITWQZSA-N -2 2 504.433 2.959 40 5 KFBBLL