smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)C[NH2+]CC)cc1C2=O ZINC000005760434 557673342 /nfs/dbraw/zinc/67/33/42/557673342.db2.gz OWIKGBYLJUIGMT-UHFFFAOYSA-N 1 3 408.458 1.558 40 10 HDCBHO