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+](C)(C)CCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 ZINC000026255025 717113944 /nfs/dbraw/zinc/11/39/44/717113944.db2.gz OXDSDRHMZVRNQB-UHFFFAOYSA-O 1 0 403.418 3.506 1 50 HHGFRO