smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCNc1ccnc2ccc3ccccc3c21 ZINC000045194829 175326829 /nfs/dbraw/zinc/32/68/29/175326829.db2.gz FQZSUBCRKHDTNL-UHFFFAOYSA-N 1 1 293.414 4.142 1 5 CIBFMO