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)(C)[PH+](CC[N+](C)(C)C)C(C)(C)C ZINC000002553984 717095631 /nfs/dbraw/zinc/09/56/31/717095631.db2.gz RVGFOICODSDIKW-UHFFFAOYSA-N 2 1 232.372 3.772 10 5 BHBEMP