smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC[NH+]1CCC(F)(F)CC1 85652806 169180933 /nfs/dbraw/zinc/18/09/33/169180933.db2.gz SLFHCDIAYMEENA-UHFFFAOYSA-N 2 0 192.253 1.456 30 0 ADACRP