smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 ZINC000040457812 174268018 /nfs/dbraw/zinc/26/80/18/174268018.db2.gz YFDHXNCPLYIEJJ-JTQLQIEISA-N 1 3 267.329 -0.355 10 10 CBCEHO