smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCN(CCn3cnc4c3ncnc4N)C(N)=[NH2+])C(N)=[NH2+])c2c1 ZINC000003962375 561691159 /nfs/dbraw/zinc/69/11/59/561691159.db2.gz WCDUBMAKXVZYMA-UHFFFAOYSA-N 2 3 618.150 3.055 1 10 KGCFHP