smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c2ccccc2[o+]c1CC=CC=[NH+]c1ccccc1 ZINC000005140256 170070407 /nfs/dbraw/zinc/07/04/07/170070407.db2.gz QVEXMONPFWLPDR-UHFFFAOYSA-O 2 2 291.374 4.379 10 10 CICELP