smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)OCC[N+](C)(C)C)cc1 ZINC000033955116 717123494 /nfs/dbraw/zinc/12/34/94/717123494.db2.gz OLJQWNLOIRXBBG-OQKWZONESA-N 1 0 392.523 3.869 10 50 GHGERO