smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC[NH2+]CCCC[NH+](C)C ZINC000106299275 168651373 /nfs/dbraw/zinc/65/13/73/168651373.db2.gz NGPNSYLSEHURIY-UHFFFAOYSA-N 2 0 242.451 3.668 10 30 BHEERP