smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC000218469484 344412926 /nfs/dbraw/zinc/41/29/26/344412926.db2.gz BCDNMOJAZRGHBP-NEPJUHHUSA-N 1 1 197.366 3.543 20 70 AHIDMO