smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H]1C[N@@H+](C2CCCCC2)CC[C@@H]1[NH3+] ZINC000096318672 169014223 /nfs/dbraw/zinc/01/42/23/169014223.db2.gz MOCHGBZSRBVYPK-ZFWWWQNUSA-N 2 0 238.419 3.159 1 0 BGAFRP