smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[P+]1(Cc2ccccc2)CCCC1 ZINC000073292499 168693867 /nfs/dbraw/zinc/69/38/67/168693867.db2.gz PJHBHWRORZXZQV-UHFFFAOYSA-N 1 0 193.250 3.628 1 30 AHEFRO