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+]1(C)CCN(c2[nH+]c3ccccc3c3c2CCCC3)CC1 ZINC000013778668 717109152 /nfs/dbraw/zinc/10/91/52/717109152.db2.gz YYRWMHFDEFDRNC-UHFFFAOYSA-N 2 2 296.438 3.010 1 5 CGBFLP