smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[N+](CC)(CCCl)CCCl 1718301 717089054 /nfs/dbraw/zinc/08/90/54/717089054.db2.gz ILXSLTSHKSPXSR-UHFFFAOYSA-N 1 0 197.129 2.444 40 50 AEGBRO CC[N+](CC)(CC)CCCl 3172711 717095251 /nfs/dbraw/zinc/09/52/51/717095251.db2.gz LUAAFKGNBOOOLN-UHFFFAOYSA-N 1 0 164.700 2.102 40 50 AEGBRO CC[N+](CC)(CC)CCCCl 139751463 717152131 /nfs/dbraw/zinc/15/21/31/717152131.db2.gz HLTMZJRQIYCHMP-UHFFFAOYSA-N 1 0 178.727 2.492 40 50 AEGBRO