smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC#CCC[n+]1cccc([C@@H]2CCC[N@H+]2C)c1 ZINC000038695918 174153003 /nfs/dbraw/zinc/15/30/03/174153003.db2.gz PUEDSFWLDTWPQJ-SFHVURJKSA-N 2 1 271.428 3.325 1 30 CGEFMP