smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[NH+]1CCC(CN(C)Cc2ccc(O)c(O)c2)CC1 ZINC000067489639 425911091 /nfs/dbraw/zinc/91/10/91/425911091.db2.gz YXPFTSJUGCWOEX-UHFFFAOYSA-N 1 3 306.450 2.898 50 10 DFCAHO