smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=NC[C@@H](Cn1cnc2c1nc(N)[nH]c2=O)OCP(=O)([O-])[O-] ZINC000003842993 210078660 /nfs/dbraw/zinc/07/86/60/210078660.db2.gz VWPXHOHRDQCOKV-YFKPBYRVSA-N -2 1 344.228 -0.468 1 10 EBCFML