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+]1c2ccccc2sc1CC=CC=[NH+]c1ccccc1 ZINC000003129739 567851602 /nfs/dbraw/zinc/85/16/02/567851602.db2.gz DKMANWQLBCVQRU-UHFFFAOYSA-O 2 1 293.415 4.365 50 10 CICAMP