smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=NNC(N)=[NH2+])c1cc(NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])cc(C(C)=NNC(N)=[NH2+])c1 ZINC000066259692 563160613 /nfs/dbraw/zinc/16/06/13/563160613.db2.gz LVQHANZERMPQIE-WTUYGMNDSA-N 4 2 445.536 -1.370 1 30 IAEFLP