smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[n+]1cccc([C@@H]2CCC[N@H+]2C)c1 ZINC000036079878 213061072 /nfs/dbraw/zinc/06/10/72/213061072.db2.gz NAVBJWWCUOXXQB-QFIPXVFZSA-N 2 1 331.568 5.662 1 30 EKEFMP