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)C1CCN(CCNCC[N+](=O)[O-])CC1 ZINC000905146113 637653167 /nfs/dbraw/zinc/65/31/67/637653167.db2.gz FZYLSRMKFJXCLW-UHFFFAOYSA-N 1 3 244.339 -0.121 20 5 BBBDHO