smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)C(O)(Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1)[P@@](=O)([O-])O ZINC000016051960 563020809 /nfs/dbraw/zinc/02/08/09/563020809.db2.gz MPBUFKZCEBTBSK-UHFFFAOYSA-N -2 2 434.321 3.565 10 0 in-vivo IHAELL O=P([O-])(O)C(O)(Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1)[P@](=O)([O-])O ZINC000016051960 563020810 /nfs/dbraw/zinc/02/08/10/563020810.db2.gz MPBUFKZCEBTBSK-UHFFFAOYSA-N -2 2 434.321 3.565 10 0 in-vivo IHAELL