smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccccc2[nH+]c2ccccc12 ZINC000004115667 342987408 /nfs/dbraw/zinc/98/74/08/342987408.db2.gz FLDRLXJNISEWNZ-UHFFFAOYSA-N 1 1 193.249 3.696 50 5 AHBAMO