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+]1CCN(c2c3[nH]c4ccccc4c3[nH+]c3ccccc32)CC1 ZINC000095575142 185380430 /nfs/dbraw/zinc/38/04/30/185380430.db2.gz GBRZHHMCHBIKOS-UHFFFAOYSA-N 2 0 316.408 3.621 1 5 DHBFRP