smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCP(=O)([O-])[O-] 2565967 342977345 /nfs/dbraw/zinc/97/73/45/342977345.db2.gz NJGCRMAPOWGWMW-UHFFFAOYSA-N -2 3 194.211 2.525 50 30 AFEAHL