smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)([O-])O)[P@@](=O)([O-])O)cc1 ZINC000040975903 563161970 /nfs/dbraw/zinc/16/19/70/563161970.db2.gz YRSAUXBFMZOAKR-SDNWHVSQSA-N -2 2 454.381 3.584 1 10 JHCFLL CN(C)c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)([O-])O)[P@](=O)([O-])O)cc1 ZINC000040975903 563161972 /nfs/dbraw/zinc/16/19/72/563161972.db2.gz YRSAUXBFMZOAKR-SDNWHVSQSA-N -2 2 454.381 3.584 1 10 JHCFLL