smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[N-]OCC[N+](C)(C)C 71295903 166278435 /nfs/dbraw/zinc/27/84/35/166278435.db2.gz LOZCIJNSRHFQHN-UHFFFAOYSA-O 0 3 161.225 -0.240 1 5 ABBFHN