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)CCCCNC(N)=[NH2+])cc(C(C)=NNC(N)=[NH2+])c1 ZINC000066259693 563160570 /nfs/dbraw/zinc/16/05/70/563160570.db2.gz ZRGFUKNZBQIRDT-ILLNUACUSA-N 3 2 430.521 -0.307 1 30 IBEFLP