smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1 ZINC000000158909 132312930 /nfs/dbraw/zinc/31/29/30/132312930.db2.gz MZFQGKRIWIKPBT-UHFFFAOYSA-N 2 0 205.305 0.897 50 10 BCCARP