smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C[N+](C)(C)Cc1ccc(C[N+](C)(C)C[N+](C)(C)Cc2ccc(CCl)cc2)cc1 ZINC000019319797 717113215 /nfs/dbraw/zinc/11/32/15/717113215.db2.gz QDWVJWXHVPBTMG-UHFFFAOYSA-N 3 0 448.119 4.331 40 50 IIGBRP