smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@H+](C)C2 ZINC000020112532 182188295 /nfs/dbraw/zinc/18/82/95/182188295.db2.gz UDZDTUFWJWBVSU-UHFFFAOYSA-N 2 1 305.445 4.274 40 5 DIBBMP