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+](CCCl)(CCCl)Cc1ccccc1 ZINC000001713511 717089016 /nfs/dbraw/zinc/08/90/16/717089016.db2.gz ALRSPPDIRDIQPP-UHFFFAOYSA-N 1 0 247.189 3.111 40 50 BGGBRO