smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCOC(OCC[N+](C)(C)C)(c1ccccc1)c1ccccc1 ZINC000001673122 210366084 /nfs/dbraw/zinc/36/60/84/210366084.db2.gz YHIQZUBVTWEUOZ-UHFFFAOYSA-N 2 0 372.553 3.333 40 5 FGBBRP