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)N)c1cc(NC(=O)[C@H](N)CCCNC(N)=[NH2+])cc(C(C)=NNC(=N)N)c1 ZINC000066259692 563160614 /nfs/dbraw/zinc/16/06/14/563160614.db2.gz LVQHANZERMPQIE-WTUYGMNDSA-N 1 3 445.536 -1.370 1 30 IAEFHO