smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)C[NH2+]CC)cc1C2=O ZINC000005760434 557673337 /nfs/dbraw/zinc/67/33/37/557673337.db2.gz OWIKGBYLJUIGMT-UHFFFAOYSA-N 2 0 408.458 1.558 40 10 HDCBRP