smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)NC(=O)C(=O)NNC(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000824368946 605585781 /nfs/dbraw/zinc/58/57/81/605585781.db2.gz PKFNDXURVFKCTK-UHFFFAOYSA-N 0 2 329.357 -1.610 20 50 EAGDLN CNS(=O)(=O)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826090816 608627328 /nfs/dbraw/zinc/62/73/28/608627328.db2.gz PZWOFCWVXIYQPJ-UHFFFAOYSA-N 0 2 346.760 -1.093 20 50 EAGDLN