smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCN(CC(=O)N3CCNCC3)C[C@@H](O)C2)nc(N)[nH+]1 ZINC000217538034 241256517 /nfs/dbraw/zinc/25/65/17/241256517.db2.gz RQYQKSOOVCXWAL-CYBMUJFWSA-N 1 3 349.439 -1.718 50 70 EAIAHO