smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccnc2C#N)C1 ZINC000234354511 352281815 /nfs/dbraw/zinc/28/18/15/352281815.db2.gz SUUISPQYOZWRLK-JTQLQIEISA-N -1 2 296.352 -0.438 10 30 CBEELM