smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCC[NH+]1CCC(NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC000042807031 563115755 /nfs/dbraw/zinc/11/57/55/563115755.db2.gz FRLCDDYSFSHYMJ-VWLOTQADSA-N 2 3 438.745 5.115 1 30 IKEFHP CCCCCCCCCCCCCCC[NH2+]C1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC000042803547 563115747 /nfs/dbraw/zinc/11/57/47/563115747.db2.gz TYADFLAJOJOPBC-VWLOTQADSA-N 2 3 438.745 5.115 1 30 IKEFHP