smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[PH+](C)CCCC[PH+](C)C 2572420 168290330 /nfs/dbraw/zinc/29/03/30/168290330.db2.gz FNAYAXPWEKXHQU-UHFFFAOYSA-N 2 0 178.196 3.250 40 0 AGABRP