smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCN(CP(=O)([O-])O)C[P@@](=O)([O-])O ZINC000100071581 219090195 /nfs/dbraw/zinc/09/01/95/219090195.db2.gz YNDPSOLPIPLPMB-UHFFFAOYSA-N -2 2 345.313 2.700 50 30 EFEALL CCCCCCCCCCN(CP(=O)([O-])O)C[P@](=O)([O-])O ZINC000100071581 219090196 /nfs/dbraw/zinc/09/01/96/219090196.db2.gz YNDPSOLPIPLPMB-UHFFFAOYSA-N -2 2 345.313 2.700 50 30 EFEALL