smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](CO[P@](=O)([O-])O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000098044158 569139014 /nfs/dbraw/zinc/13/90/14/569139014.db2.gz LGDJNCRIHRFKML-MRXNPFEDSA-N -2 2 407.315 2.088 40 0 HEABLL O=C([O-])[C@@H](CO[P@@](=O)([O-])O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000098044158 569139015 /nfs/dbraw/zinc/13/90/15/569139015.db2.gz LGDJNCRIHRFKML-MRXNPFEDSA-N -2 2 407.315 2.088 40 0 HEABLL