smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCC[N+](C)(C)C)C2 ZINC000014947224 717111266 /nfs/dbraw/zinc/11/12/66/717111266.db2.gz GHZVENSMPZIZCE-XTJBDQBJSA-N 2 1 415.598 3.487 1 5 HGBFMP