smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCP(CC)CC[PH+](CC)CC ZINC000002560584 342724172 /nfs/dbraw/zinc/72/41/72/342724172.db2.gz MIOCUERTSIJEDP-UHFFFAOYSA-N 1 3 206.250 4.030 50 0 BIAAHO