smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CP(C)CCCC[PH+](C)C 2572420 168290332 /nfs/dbraw/zinc/29/03/32/168290332.db2.gz FNAYAXPWEKXHQU-UHFFFAOYSA-N 1 3 178.196 3.250 40 0 AGABHO