smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCP(C)C ZINC000138791730 345786668 /nfs/dbraw/zinc/78/66/68/345786668.db2.gz RIXFPXRYYYJJKF-UHFFFAOYSA-N 0 3 230.376 5.649 10 30 BKEEHN