smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O ZINC000072320712 569702137 /nfs/dbraw/zinc/70/21/37/569702137.db2.gz VQBRHKNSGVIPJV-VXKWHMMOSA-N 2 2 485.673 2.082 10 10 JECELP