smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC[N+](C)(C)CCl ZINC000066128651 717133200 /nfs/dbraw/zinc/13/32/00/717133200.db2.gz GZQCPBMHAPMIQL-UHFFFAOYSA-N 1 0 318.997 6.740 40 50 DKGBRO CCCCCCCCCCCCCC[N+](C)(C)CCCl ZINC000100923846 717144110 /nfs/dbraw/zinc/14/41/10/717144110.db2.gz JGPVGGBDJHHTLU-UHFFFAOYSA-N 1 0 304.970 6.003 40 50 DKGBRO