smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]CCCNC(=O)CCc1ccccc1 ZINC000049089602 213986546 /nfs/dbraw/zinc/98/65/46/213986546.db2.gz GLVZEIGFWZGDFV-UHFFFAOYSA-N 2 3 334.508 1.434 1 0 in-vivo EDAFHP