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(CC(=O)N(O)CCCCO[P@@](=O)([O-])O)C(=O)[O-] ZINC000073199941 216363433 /nfs/dbraw/zinc/36/34/33/216363433.db2.gz WYJUBKJLQCPXCV-UHFFFAOYSA-N -3 2 329.198 -0.731 1 30 EBEFLL O=C([O-])C(CC(=O)N(O)CCCCO[P@](=O)([O-])O)C(=O)[O-] ZINC000073199941 216363434 /nfs/dbraw/zinc/36/34/34/216363434.db2.gz WYJUBKJLQCPXCV-UHFFFAOYSA-N -3 2 329.198 -0.731 1 30 EBEFLL