smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005846839 181289284 /nfs/dbraw/zinc/28/92/84/181289284.db2.gz UJTMSMCDKSEDHU-UHFFFAOYSA-N 2 0 307.441 4.532 40 10 DJCBRP