smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2C(=O)c2cc(NCC(P(=O)([O-])O)[P@](=O)([O-])O)ccc21 ZINC000020530826 558384359 /nfs/dbraw/zinc/38/43/59/558384359.db2.gz IZCQLARLEXDDLA-UHFFFAOYSA-N -2 2 411.243 1.555 10 10 HDCELL O=C1c2ccccc2C(=O)c2cc(NCC(P(=O)([O-])O)[P@@](=O)([O-])O)ccc21 ZINC000020530826 558384366 /nfs/dbraw/zinc/38/43/66/558384366.db2.gz IZCQLARLEXDDLA-UHFFFAOYSA-N -2 2 411.243 1.555 10 10 HDCELL