smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2[nH+]c3ccccc3cc2c1 ZINC000004365739 342990957 /nfs/dbraw/zinc/99/09/57/342990957.db2.gz HVZWBVZEZZJOKQ-UHFFFAOYSA-N 1 2 193.249 3.696 10 5 AHBELO